Can Bang Long Hoi

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Ministry of Higher Education

& scientific research


University of Technology
Chemical Engineering Department

ISOBARIC VAPOR-LIQUID
EQUILIBRIA OF ENILOSAG
TA SMETSYS SEVITIDDA
101.3 aPk
A Thesis
Submitted to the Department of Chemical Engineering
of The University of Technology
in Partial Fulfillment of the Requirements for the Degree of Master
of Science
in
Chemical Engineering

By

RAWA ABD AL RAZAQ KHAMAS


(B. Sc. 2003)
1429

2008

) (105

Certificate
We certify, as an examining committee, that we have read the thesis titled
Isobaric Vapor-Liquid Equilibria of Gasoline additives Systems at 101.3kPa
and examined the student RAWA ABD AL RAZAQ KHAMAS and found that the
thesis meets the standard for the degree of Master of Science in Chemical
Engineering.

Signature :
Name

Signature:

: Dr. Khalid F. Chasib

Name :prof. Dr. Balasim A. Abid

(Supervisor)
Date

(Member)

/ 2008

Date

/ 2008

Signature :
Name

: Dr.Adnan A. abdul Razak


(Member)

Date

/ 2008
Signature : Prof. Dr. Mahmoud O. Abdullah
Name

:
(Chairman)

Date

/ 2008

Approval by the University of technology


Signature :
Name

Date

/ 2008

Certification
I certify that this thesis titled Isobaric Vapor-Liquid Equilibria of
Gasoline Additives Systems at 101.3 kPa was prepared by RAWA
ABD AL RAZAQ KHAMAS, under my supervision at the Department of
Chemical Engineering, University of technology, in partial fulfillment of
the requirements for the degree of Master of science
Engineering.

Signature:
Name
Data

: Dr. Khalid F. Chasib


:
/
/ 2008

in Chemical

ACKNOWLEDGMENT

ACKNOWLEDGMENT
Praise be to God for His entire blessing during the pursuit of
my academic study.
I would like to express my sincere thanks and gratitude to my
supervisor Dr. Khalid Farhod Chasib for his help throughout the
preparation of this thesis.
I would like to extend my acknowledgment to the Head of
Chemical Engineering Department for his help in providing
facilities.
Thanks are due to the rest of the staff of Chemical
Engineering Department of University of technology for their help
during my work.
I would like to express my gratitude and appreciation to my
family specially my father and my mother for their love, sacrifices
and patience during my all years of study.
Last but not least special thanks and appreciation go to my
husband Abdullah Hamdan alkenzawi for his love and his help.

Abstract

ABSTRACT
Obtaining accurate values for vapor-liquid equilibrium (VLE) is very
important in the design of separation equipment and some industrial applications
in chemical engineering. So in order to obtain accurate properties of VLE
attention has been turned to calculate them from equations of state (EOS) and
activity coefficient models , noting that those equations of state are strongly
nonlinear as well as inaccurate results may by obtained when they are applied to
nonideal and polar systems. To overcome these problems efforts were directed
to modify or improve EOS and their mixing and combining rules.
In this study, isobaric vapor-liquid equilibrium of gasoline additives for
three ternary
Methyl-2-

systems:MTBE+Ethanol+2-Methyl-2-propanol,Ethanol+2-

propanol+Octane, and MTBE+Ethanol+Octane at 101.3kPa are

studied. furthermore three binary systems: ethanol+2-Methyl-2-propanol,


MTBE+Ethanol, and MTBE + Octane at 101.3 kPa have been studied.
The binary system MTBE + ethanol forms minimum boiling azeotrope.
The azeotrope data are x 1 (AZ) =0.955 mole fraction and T (AZ) =327.94 K. The
R

other ternary systems and the other binary systems do not form azeotrope.
All the data used from [3] and [69] passed successfully the test for
thermodynamic consistency using McDermott-Ellis test method.
In this study the calculation of VLE Kvalues is done by using three
methods, the first method uses modified Soave Redlich and Kwong (SRK),
modified Peng and Robinson (PR) equations of state for two phases. The second
method uses SRK-EOS for vapor phase with (NRTL, UNIQUAC and UNIFAC
activity coefficient models for liquid phase) and using PR-EOS for vapor phase
with (NRTL, UNIQUAC and UNIFAC activity coefficient models for liquid
phase). The third method uses the Wong- Sandler mixing rules and the PRSVEOS based on GE of (NRTL and UNIQUAC activity coefficient models).
P

ii

Abstract

The non ideality of both vapor and liquid phases for the literature data for
the ternary and binary systems have been accounted for in developing of the
computer program for predicting VLE Kvalues using the maximum likelihood
principle for parameter estimation which provides a mathematical and
computational guarantee of global optimality in parameters estimation.
The Wong- Sandler mixing rules and the PRSV- EOS based on excess Gibbs
free energy GE of NRTL activity coefficient model give more accurate results
P

for correlation and prediction of the K-values than other methods for the ternary
and binary systems which contain asymmetric and polar compounds.
a) For the three binary systems of 71 data points the results obtained for VLE
K-values use theWong- Sandler mixing rules and the PRSV- EOS based on
GE of NRTL activity coefficient models , the overall average absolute
P

deviations (AAD) and overall percentage mean deviations are 0.0232 and
0.8387 respectively.
b) For the three ternary systems of 298 data points the results for VLE K-values
use theWong- Sandler mixing rules and the PRSV- EOS based on GE of
P

NRTL activity coefficient models, the overall average absolute deviations


(AAD) and overall percentage mean deviations are 0.011 and 1.387
respectively.

iii

TNETNOC FO TSIL

LIST OF CONTENTS
U

Subject
Acknowledgment
Abstract
List of Contents
Nomenclature

page
i
ii
iv
x

Chapter One
Introduction

Introduction

Chapter Two
Literature Survey
5

2.1 Gasoline
2.2 Octane rating
2.3 lead
0B

5
6

2.4 Oxygenates
2.5 Historical Perspective
2.6 Description of Oxygenates used in gasoline

7
7
10

2.6.1 Properties of MTBE

13

2.6.1.1 Physical Properties

14

2.6.1.2 Blending Characteristics

14

2.6.2 Properties of Ethanol

15

2.6.2.1 Physical Properties

16

2.6.2.2 Blending Characteristics

17

2.6.3 Other Oxygenates

18

2.6.3.1 2-methyl-2-propanol

18

iv

TNETNOC FO TSIL

2.7 Environmental impact of using oxygenates in gasoline

19

2.8 Methods of Calculation of Vapor-Liquid Equilibria by Means 20


of an Equation of State and activity coefficient models
CHAPTER THREE
1B

THE THEORY
2B

3.1

Phase Equilibrium

28

3.2

Equation of State

29

3.2.1

Properties from Equation of State

32

3.2.1.1

Fugacity and Fugacity Coefficients

32

3.2.2

Redlich - Kwong Equation of State (RK EOS)

35

3.2.3

Soave Redlich - Kwong Equation of State (SRK

37

3.2.3.1

SRK-EOS Parameters

39

3.2.3.2

SRK-EOS Mixing Rules

39

3.2.3.3

SRK-EOS Fugacity Coefficient

40

3.2.4

Peng-Robinson Equation of State (PR EOS)

40

3.2.4.1

PR-EOS Parameters

41

3.2.4.2

PR-EOS Mixing Rules

41

3.2.4.3

PR-EOS Fugacity Coefficient

42

3.2.5

SRK and PR Equations of State Failure and

42

Improved Points
3.3
3.3.1
3.4

Activity Coefficient Models

43

Activity and Activity Coefficients


Vapor Pressure Equations

43
44

TNETNOC FO TSIL

3.5

Prediction and Correlation of Vapor Liquid Equilibrium 45


Data

3.5.1

Non-Random Two-Liquid (NRTL) Model

46

3.5.2

The UNIQUAC Equations

48

Principle of the Group Contribution Methods

51

3.5.3
3B

3.5.3.1 UNIFAC model

3.6

52

Calculations with Mixing Rules Based on GE Models.


P

54

54

3.6.1

Wong-Sandler mixing rules

3.6.2

Peng-Robbinson-Strryjek-Vera Equation of state(PRSV-

57

EOS)
3.6.3

Using NRTL expression

3.6.4

Using UNIQUAC expression

58
58

3.7

Phase Equilibrium Calculations (K-Values)

59

3.8

Modification of Mixing and Combining Rules

61

3.8.1

First Correlation Approach Method

62

3.8.2

Second Correlation Approach Method

63

3.9

Equation of State Roots

65

3.10 Parameter Estimation

67

3.10.1

Maximum-Likelihood Principle

67

3.10.2

Effects of Estimated Variances

70

3.10.3

Systematic Error

70

vi

TNETNOC FO TSIL

3.11 Thermodynamic Consistency Test

70

CHAPTER FOUR
RESULTS AND DISCUSSION
4.1 System Selection

73

4.1.1

Binary systems

73

4.1.2 Ternary systems

75

4.2 Thermodynamic Consistency Test

81

4.3 Statistical Measurement and Analysis of Dispersion

82

4.4 Improvement of Equation of State

83

4.5 Computer Implementation

85

4.5.1

85

Estimation of Equilibrium Constant

4.5.2 Solution of Cubic Equation of State

86

4.5.3 Interaction Coefficient

90

4.6 Discussion of Results

91

4.6.1 Binary systems


4.6.2 Ternary systems

92
92
CHAPTER five

Conclusion and Recommendation for future work


5.1Conclusion

107

5.2 Recommendation for Future Work

112

REFERENCES

113

APPENDIX A
TABLES OF DATA FOR BINARY & TERNARY SYSTEMS

vii

TNETNOC FO TSIL

A.1 Binary systems


A.1.1 binary system ()
[Ethanol (1) +2-methyl-2-propanol (2)]
A.1.2 binary system()
[MTBE (1) + Ethanol (2)]
A.1.3 binary system()
[MTBE (1) +Octane (2)]

A-1
A-1
A-11

A-21

A.2 Ternary systems


A.2.1 ternary system ()
[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol(3) ]
A.2.2 ternary system ()
[Ethanol (1) +2-methyl-2-propanol (2) +Octane (3)]
A.2.3 ternary system ()
[MTBE (1) +Ethanol (2) + Octane (3)]

A-26
A-26
A-46
A-66

APPENDIX B
TABLES OF EQUILIBRIUM CONSTANT FOR BINARY
&TERNARY SYSTEMS
K-VALUE
B.1 BINARY SYSTEMES
B.1.1 binary system ()
[Ethanol (1) +2-methyl-2-propanol (2)]
B.1.2 binary system()
[MTBE (1) + Ethanol (2)]
B.1.3 binary system()
[MTBE (1) +Octane (2)]

B-1
B-1

B.2 Ternary SYSTEMES:


B.2.1 ternary system ()
[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol (3) ]
B.2.2 ternary system ()
[Ethanol (1) +2-methyl-2-propanol (2) +Octane (3)]
B.2.3 ternary system ()
[MTBE (1) +Ethanol (2) + Octane (3)]

B-21
B-21

viii

B-11
B-16

B-41
B-61

TNETNOC FO TSIL

APPENDIX C
CALCULATED RESULTS

C-1

Appendix D
4B

COMPUTER PROGRAM
5B

D.1 Finding the Roots of a Polynomial

D-1

D.2 Optimization Technique for Parameters Estimation

D-2

D.3 NRTL activity Coefficient model program

D-6

D.4 BASIC program for UNIFAC model


D.5 Prediction of Phase Equilibria K-Values

D-7
D-23
E-1

Appendix E
6B

Example of calculations
7B

Note: all appendixes are shown in CD

ix

Nomenclature

NOMENCLATURE
Abbreviations
U

Abbreviation
U

Meaning
U

AAD

Average Absolute Deviations

CEOS

Cubic equation of state

EOS

Equation of State

EOS-GE

Excess Gibbs free energy (GE) equation of state model

K-Value

Equilibrium Constant

LLE

Liquid-Liquid equilibrium

Mean D %

Percentage of Mean Overall Deviation

NRTL

Non-Random Two Liquid activity coefficient model

OF

Objective Function

PR

Peng and Robinson equation of state

PRSV

Stryjek and Vera modification of Peng and Robinson

Equation of state
SRK

Soave Redlich and Kwong equation of state

UNIFAC

UNIQUAC Functional Group Activity Coefficients model

UNIQUAC

Universal Quasi-Chemical activity coefficient model

VdW

Van der Waals equation of state

VLE

Vapor Liquid Equilibrium

WS

Wong and Sandler mixing rules

Nomenclature

Symbols
Symbol

Meaning

Unit

Attractive term (parameter) of the cubic equation of state

aE EOS
P

PR

ai
R

Excess molar Helmoltz energy

kJ / kmol

Combining rule coefficient

a ij
R

Mixing rule coefficienamn

a mn

Group interaction parameter of equation (3.76)

aijO

Mixing rule coefficient

Cohesion parameter of cubic equation of state

Vapor pressure coefficient of Antoine equation, equation C.14

Ai
R

Combining rule coefficient

Covolume term (parameter) of the cubic equation of state

bi
R

Combining rule coefficient

Covolume term (parameter) of the cubic equation of state

Vapor pressure coefficient of Antoine equation, equation C.14

Bi
R

Combining rule coefficient

Vapor pressure coefficient of Antoine equation, equation C.14


Empirical constant of equation (3.77)

Local deviation, equation (4.2)


Deviation of pair of points c and d

D cd
R

D max
R

fi
R

Local maximum deviation


Fugacity of pure component i

f `i
P

PR

Fugacity of component i in the solution

f ig

Fugacity of ideal gas

g ij

Energy parameter of equation (3.52)

GE
P

Excess Gibbs free energy model

xi

J/mol
kJ / kmol

Nomenclature

h ij
R

Binary interaction coefficient of equation (3.116)

hE

Molar excess enthalpy

k ij
R

Binary interaction parameter for components i and j

K1cal

Calculated K-value of component 1

ka

ij

Interaction coefficient of equation (3.109)

kb

ij

Ki
R

Interaction coefficient of equation (3.110)


K-values or equilibrium constant of component i

li

Constant defined on equation (3.65)

Emprical constant for pure component of equation (3.106)

Intensive property; M = K-value or T

Emprical constant for pure component of equation (3.106)

ni
R

Number of moles of component i

Number of compounds in the mixture

Equilibrium pressure of the system

MPa

Critical Pressure

MPa

Vapor pressure of pure component i

MPa

Pis

Vapor pressure at saturation of component i

MPa

Pr

Reduce Pressure

PC
R

Pi
R

RP

P lit
R

P cal
R

qi
R

Literature Pressure

MPa

Calculated Pressure

MPa

Pure component parameter of equation (3.71)

Group surface parameter of equation (3.72)

Qk
R

Pure component parameter of equation (3.71)

Universal gas constant, its value equal to 8.314

Rv

Ratio of volumes

Objective function, equation (3.117)

cm3 MPa
mol K

ta, tb

Temperature of point a and b , equation 4.3

Temperature

xii

Nomenclature

TC

Critical temperature

Tr

Reduced temperature

Energy parameter of equation (3.63)

u ij
R

Pure component molar volume

cm3/kmole

v guess

Initial guess of molar volume calculation

cm3/kmole

Volume

v
R

VE
xi
R

cm3/kmole
P

Mole fraction of component i in liquid phase

Xm
yi

cm3

Excess molar volume

Group mole fraction for group m


Mole fraction of component i in vapor phase

Compressibility factor

zc
R

Critical compressibility factor

Greek Litters
Symbol

Meaning

Temperature dependency of the attractive term of equation of state

Activity coefficient

Activity coefficient of group k in equation (3.73)

Poynting factor of equation (3.47)

Partial differentiation

v(i) k
P

Number of group of type k in molecule i

PR

Standard deviation

Estimated variance

Fugacity coefficient

ij

Empirical constant of equation (3.55)

mn

Group interaction parameter of equation (3.76)

Acentric factor

xiii

Nomenclature

Subscript
Symbol

Meaning

Critical property

cal.

Calculated value

cd

Pair of points c and d

lit.

Literature value

guess

Initial guess

Component i in the mixture

ii

interaction between the i molecules

ij

Binary interaction between i and j

Component j in the mixture

Mixture

max

Maximum value

Superscript
Symbol

Meaning

(1), (2), (M)

Equilibrium phases

Pure compound

Calculated value

Configurational

cal

Calculated value

Excess property

ig

Ideal gas

lit.

Literature value

Liquid phase

xiv

Nomenclature

Estimated true value

obs

Observed value

residual

Saturation condition

Vapor phase

xv

Chapter one: Introduction

CHAPTER ONE

INTRODUCTION
Phase equilibria and fluid properties calculations are required in the design
of separation processes and analysis of petroleum and gas production operations.
The separation of multicomponent mixtures into pure components or fractions of
desired composition is of great interest in the petroleum industry [1].
The study of gasoline + alcohol and ethers mixtures using the methods of
physical-chemical analysis is considered at the present time as a difficult goal as
gasoline is an extremely complex mixture of hydrocarbons of varying composition.
Accordingly, a more appropriate approach would seem to be to study model
hydrocarbon + alcohol and ethers mixtures composed of a small number of
individual compounds [2].
The reasons for studying mixtures of hydrocarbons and oxygen-containing
compounds relating to the use of oxygen-containing compounds in motor fuels.
Ethers and alcohols used as gasoline additives have excellent antiknock
properties and are environmentally acceptable substances. Gasoline blended with
about 7-15 % 2-methoxy-2-methyl propane (MTBE) has been used for highperformance premium gasoline. On the other hand, recommendations for gasoline
additives include not only pure MTBE but also mixtures with alcohols for highoctane gasoline [3].
When thermodynamics is applied to vapor-liquid equilibrium, the goal is to
find by calculation the temperatures, pressures, and compositions of phases in
equilibrium. Indeed, thermodynamics provides the mathematical framework for the
systematic correlation, extension, generalization, evaluation, and interpretation of
data. Moreover, it is the means by which the predictions of various theories of

Chapter one: Introduction

molecular physics and statistical mechanics may be applied to practical purposes.


None of this can be accomplished without models for the behavior of systems in
vapor-liquid equilibrium [4].
The quantitative prediction of phase behavior is a central problem in
chemical engineering thermodynamics and a very important consideration in the
design of chemical process plant.
The most infinite number of possible mixture and wide range of temperature
and pressure encountered in process engineering is such that no single
thermodynamic model is ever likely to be applicable in all cases.
The basic problem to deal with thermodynamic modeling of petroleum fluids
is the calculation of high-pressure vapor-liquid equilibria. This is usually done by
means of equation of state (EOS) among which the most common are RedlichKwong-Soave (SRK) and Peng-Robinson (PR). Nevertheless, those equations
when applied to mixtures require mixing rules in which molecular interactions are
accounted for by means of a binary interaction parameter, the so-called k ij , whose
R

choice is difficult even for the simplest systems [5].


The literature data were correlated using activity coefficient models for the
liquid phase and equation of state (EOS) for the vapor phase and some time with
the liquid phase too.
Many proposed activity coefficient models can be used to correlate the
literature data for the liquid phase for binary and ternary systems. Among these
models are Non-Random Two-Liquid (NRTL) model, the Universal quasi-chemical
equations (UNIQUAC), and the Uniquac functional group activity coefficients
(UNIFAC).
An important advance in the description of phase equilibria is to combine the
strengths of both EOS and activity coefficient approaches by forcing the mixing
rule of an EOS to behave with composition dependence like the GE model. These
P

Chapter one: Introduction

are called GE mixing rules and generally include the direct use of activity
P

coefficient parameters fitted to VLE data [6].


In common practice, a chemical engineer is concerned with models for
predicting vapor-liquid equilibria from a minimum amount of data, with a
minimum set of parameters [7].
In the past five decades the researchers tried to calculate the properties of
vapor-liquid equilibria by making a mathematical model, which is a function of
composition and some constants, which fit the experimental data. This
mathematical model is not supported by any theoretical base. With the
development of computer and computer programs the use of analytical expressions
to interpolate, extrapolate and even predict thermodynamic information has become
of increasing importance for process design and for modeling of process operation
[8].

The scope of this work encompasses the following objectives:

1-

Studying the vapor-liquid equilibrium data found in literature for Three


ternary systems:

MTBE+Ethanol+2-Methyl-2-propanol, Ethanol+2-

Methyl-2-propanol+Octane, and MTBE+Ethanol+Octane And three binary


systems: ethanol+2-Methyl-2-propanol, MTBE+Ethanol, and MTBE +
Octane at 101.3 kPa.
2-

Studying the most important equations of state and activity coefficient


models for their abilities to predict vapor-liquid equilibria K-values for binary
and ternary systems accurately.

3-

Testing main existing correlations against values found in literature. This test
includes the effectiveness of interaction coefficients on the accuracy of
3

Chapter one: Introduction

predictions of vapor-liquid equilibria

K-values for the ternary systems and

the binary systems.


4-

Developing of a computer program for correlation of vapor-liquid equilibria


K-values for the given mixtures.

Chapter two: Literature survey

CHAPTER TWO

LITERATURE SURVEY

The principal focus of this survey is on the following:


1-

Definition of gasoline additives and the usage history and the properties of
gasoline additives.

2-

Definition of the nature of problems associated with vapor-liquid equilibria.

3-

Description of the methods for prediction of the properties of vapor-liquid


equilibria.

2.1

Gasoline

Gasoline is a mixture of about 150 chemicals refined from crude oil. Its
usually a colorless, light brown or pink liquid. Gasoline is used in cars, boats,
motorcycles and other engines. Gasoline usually contains additives affecting the
way it burns.
In order to improve gasoline performance, many gasoline additives have been
developed. Starting in the 1920s, organo-lead compounds (e.g. tetraethyl-lead)
were added to gasoline to increase octane levels and gasoline performance [9].

2.2 Octane Rating


An important characteristic of gasoline is its octane rating, which is a
measure of how resistant gasoline is to the abnormal combustion phenomenon
known as detonation (also known as knocking, pinging, spark knock, and other
names). Deflagration is the normal type of combustion.

Chapter two: Literature survey

Octane rating is measured relative to a mixture of 2,2,4-trimethylpentane (an


isomer of octane) and n-heptane. There are a number of different conventions for
expressing the octane rating; therefore, the same fuel may be labeled with a
different numbers, depending upon the system used.

2.3 Lead
The mixture known as gasoline, when used in high compression internal
combustion engines, has a tendency to auto ignite (detonation) causing a damaging
engine knocking (also called pinging or pinking) noise. Early research into
this effect was led by A.H. Gibson and Harry Ricardo in England and Thomas
Midgley and Thomas Boyd in the United States.The discovery that lead additives
modified this behavior led to the widespread adoption of the practice in the 1920s
and therefore more powerful higher compression engines. The most popular
additive was tetraethyl lead. However, with the discovery of the environmental and
health damage caused by lead, and the incompatibility of lead with catalytic
converters found on virtually all newly sold US automobiles since 1975s, this
practice began to wane (encouraged by many governments introducing differential
tax rates) in the 1980s. Most countries are phasing out leaded fuel; different
additives have replaced the lead compounds. The most popular additives include
aromatic hydrocarbons, ethers and alcohol (usually ethanol or methanol).
In the U.S., where lead was blended with gasoline (primarily to boost octane
levels) since the early 1920s, standards to phase out leaded gasoline were first
implemented in 1970.
Many classic cars engines have needed modification to use lead-free fuels
since leaded fuels became unavailable. However, lead substitute products are
also produced and can sometimes be found at auto parts stores.

Chapter two: Literature survey

Gasoline, as delivered at the pump, also contains additives to reduce internal


engine carbon buildups, improve combustion, and to allow easier starting in cold
climates [10].

2.4 Oxygenates
Oxygenates are hydrocarbons that contain one or more oxygen atoms.
Oxygenates are usually employed as gasoline additives to reduce carbon monoxide
that is created during the burning of the fuel.
The oxygenates commonly used are either alcohols or ethers:
Alcohols:
Methanol (MeOH)
Ethanol (EtOH)
Isopropyl alcohol (IPA)
n-butanol (BuOH)
Gasoline grade t-butanol (GTBA)
Ethers:
Methyl tert-butyl ether (MTBE)
Tertiary amyl methyl ether (TAME)
Tertiary hexyl methyl ether (THEME)
Ethyl tertiary butyl ether (ETBE)
Tertiary amyl ethyl ether (TAEE)
Diisopropyl ether (DIPE)

2.5 Historical Perspective


Gasoline refiners began using oxygenates in the U.S. principally as octane
boosters. Due to the lead phase out which began in 1973, refiners had to replace the
octane loss in gasoline. Oxygenates were a natural choice to replace the octane loss
because they have relatively high octane ratings.
Adding a small volume of oxygenate into gasoline offers significant gains in
the octane of the gasoline blend. Oxygenates such as ethanol were also used as
volume extenders in gasoline during the 1974 energy crisis.

Refiners blended

Chapter two: Literature survey

gasoline with ethanol (gasohol) up to 10 volume percent to increase gasoline


supplies.
In California, most refiners have designed their refineries around the ability
to use MTBE to meet state and federal requirements for oxygenated and
reformulated gasoline and to provide the desired gasoline volumes.
In the early 20th century, automotive engineers discovered that engines with
no knocks would operate in smoother and more efficient way. In 1916, Thomas
Midgely[11] a research scientist working for the Dayton Research Laboratories of
Dayton, Ohio discovered that addition of iodine to gasoline substantially reduced
engine knocks. Engine knocks related to low quality of fuel combustion later
known as octane. Iodine raised octane and eliminated the knocks. Iodine has two
major drawbacks; it is corrosive and prohibitively expensive. In a joint research
work in 1917, Charles Kettering (inventor of electric self-starter) and Midgley
blended ethyl alcohol (grain alcohol) with gasoline and concluded that alcohols
mixed with gasoline could produce a suitable motor fuel [12].
During his search for chemicals that could be added to gasoline and reduce
engine knocks, Midgley [11] discovered the antiknock properties of tetraethyl lead
(TEL) in December 1921. Manufacturing of TEL began in 1923 with a small
operation in Dayton, Ohio that produced about 600 liter of TEL per day. One liter
of TEL was enough to treat 1150 liter of gasoline. The Research on ethanolblended gasoline continued until August of 1925, when Kettering announced a new
fuel called Synthol a mixture of alcohol and gasoline that would double gas
mileage. Oil companies preferred TEL to ethanol because addition of ethanol to
gasoline would have reduced vehicle's use of gasoline by 20-30%, thus making cars
less dependable on petroleum products.
In 1923, some well-known public health and medical authorities at leading
universities, including Reid Hunt of Harvard, Yandell Henderson of Yale and Erik
8

Chapter two: Literature survey

Krause of the Institute of Technology, Postdam, and Germany wrote letters to


Midgley, expressing grave concerns over TEL and its poisonous characteristics
[12].
They chose MTBE because of its favorable blending properties and lower
cost. In California, over 95 percent of the oxygenated gasoline and reformulated
gasoline today is blended with MTBE. Also most refiners outside California use
MTBE to comply with government oxygenates requirements [13].
MTBE was first used as a gasoline additive in the U.S. in 1979, primarily as an
octane booster (3-8% by volume). Its use was infrequent and predominantly in
higher-grade (i.e. higher octane) gasolines. MTBE use was apparently most
common in New England, New Jersey and the eastern seaboard from 1979 through
the mid-1980s [14, 15].
In the late 1980s, MTBE usage for octane boosting increased steadily,
followed by its additional application in making cleaner burning gasoline in some
states.
Currently, 19 states in USA use regulatory-driven ''reformulated gasoline''
(RFG) containing MTBE up to 11% by volume. Other states use ''Oxy-fuel'' which
contains up to 15% MTBE, while even more states use MTBE as an octane booster
at up to 8% by volume [16]. In addition to varying with application (RFG, Oxyfuel, or octane booster), MTBE percentages in gasoline also vary with locale,
season, regional availability, economics, and the open market sale or trading of
gasoline and oxygenate additives. MTBE is the most popular gasoline additive used
today, with approximately 8 billion kg produced in the U.S.A. in 1997 [16].
Essentially all the MTBE produced is used in gasoline.
EPA

(U.

S.

Environmental

Protection

Agency)

attribute

marked

improvements in air quality to the use of fuels containing MTBE (2-methoxy-2methylpropane) and other oxygenates. In Los Angeles, which had the worst air
9

Chapter two: Literature survey

quality in the USA, the use of reformulated gasoline was credited with reducing
ground-level ozone by 18% during the 1996 smog season, compared to weatheradjusting data for the same period in 1994 and 1995 [17]. Therefore, MTBE
production has increased continuously during the last decade. It is used as an
octane-enhancing component and it enabled the ban of lead in gasoline. It also
enhances gasoline burning and this improves air quality in areas where car density
is high. However, leaks in gasoline storage have produced smell and contamination
of ground water in some area, particularly in California [18], where MTBE was
banned by the end of 2003. The originally planned ban at the end of 2002 was
postponed. New initiatives are required for replacement of MTBE. One option is to
transform old MTBE plants to reduce isooctane. It is made by dimerization of
isobutylene in the presence of alcohol and then hydrogenate isooctane to isooctane. The formation of azeotropes between iso-octane and alcohol is possible
[19].
Furthermore, ETBE, when compared to MTBE, has a higher octane rating
and a lower volatility and is less hydrophilic to permeate and pollute groundwater
supplies as well as being chemically more similar to hydrocarbons [19].
Ethanol can be used as such for gasoline or as a raw material for gasoline
component production. Ethanol is produced in vast amounts by fermentation.

2.6 DESCRIPTION OF OXYGENATES USED IN GASOLINE


Oxygenates are chemical compounds that contain oxygen. There are several
oxygenates that can be blended into gasoline. Oxygenates contribute to improved
combustion, thereby reducing CO and hydrocarbon emissions in motor vehicle
exhaust. Oxygenates generally have a lower volumetric energy content than
gasoline. Thus, oxygenates reduce the energy content of the gasoline blend to

10

Chapter two: Literature survey

which they are added. This reduction in the gasoline's energy content results in
about 1 to 3 percent reduction in a vehicle's fuel economy [20].
Benefits and problems associated with gasoline additives in the United States
are reviewed by Nadim et al. [21]
Stephens [22] studied the comparison of Ethanol and MTBE and their use as
additives to Gasoline. The primary objective was to investigate the different
qualities of two different oxygenate additives. His goal was to recommend if
MTBE or Ethanol would be a better additive when looking at the impacts that each
has on the environment and human health. The results aim to provide evidence of
not only the benefits of oxygenating fuel but also to determine which of the two
primary oxygenate candidates (ethanol and MTBE) should be used as the standard
additive to reformulated gasoline. He discovered from this research , ethanol seems
to be the better additive based on oxygenates dynamics regarding air and water
P

quality as well as human health.

Table (1) summarizes key properties of various oxygenates. Some of these


oxygenates can not be blended into gasoline at the present time because they are
not registered by the U.S. EPA as gasoline additives. However, at its discretion, the
U.S. EPA can register an additive based on emissions and health studies of other
similar additives which it has already registered.

11

Chapter two: Literature survey

TABLE(1)

12

Chapter two: Literature survey

2.6.1 Properties of MTBE


MTBE also known as: methyl t-butyl ether, tert-butyl methyl ether and 2methoxy-2-methylpropane.
Most MTBE is currently manufactured by a process which involves
isobutylene and methanol. Isobutylene feed for ether production is primarily
derived from steam cracking during olefin production and fluid catalytic cracking
during gasoline production. Normal butane can also be isomerized and
dehydrogenated to produce additional isobutylene feed. Methanol is produced
primarily through the synthesis of a mixture of carbon and hydrogen. The main
feed stock for methanol production is natural gas, although other light petroleum
distillates and coal can also be used. MTBE is used primarily as a gasoline additive
[13].
Using gasoline additive MTBE in forensic environmental investigations is
reviewed by Davidson and Creek [23]. The objective of this paper was to review
how MTBE data could be used when conducting forensic investigations of
subsurface gasoline spill. By carefully studying the occurrence and movement of
MTBE, it was possible to determine critical information about the gasoline spill
history at a site including the source, timing, and number of spills.
MTBE is generally blended in gasoline in volumes up to 15 percent. At a
refinery with a ether facility, MTBE and TAME are produced by mixing a
feedstock of isobutylene (alkanes and alkenes) with methanol in a controlled
optimized reaction. The quantities of MTBE and TAME produced will vary
depending on the ratio of the isobutenes and isoamylenes (2 ethyl 1 butene) in the
feed stock from the refinery. Controlling reaction temperature and optimizing the
ratio of methanol to isobutenes and isoamylenes is critical because in addition to
the reaction being reversible and controlled by equilibrium, a low temperature
favors MTBE while a higher temperature favors TAME.
13

Chapter two: Literature survey

The process is usually optimized to maximize MTBE, however production of


some TAME can not be avoided. Side reactions of isobutylenes and isoamylenes
also produce a small amount of tertiary butyl alcohol (TBA) and diisobutylene
(DIB). These by-products remain in the MTBE/TAME product, but do not
adversely affect the product since they are also acceptable gasoline components.
2.6.1.1 Physical Properties
MTBE (CH 3 OC(CH 3 ) 3 ) is a synthetic chemical used as a blending component in
R

gasoline. It is a colorless liquid at room temperature and is flammable. MTBE is


relatively nonvolatile and has a high octane value. MTBE is soluble in gasoline
which means it disperses evenly and stays suspended without requiring physical
mixing. MTBE has a water solubility of 4.3 percent and a boiling point of 131 oF.
P

The energy content of MTBE is about 93,000 British thermal units (BTU) per
gallon.
2.6.1.2 Blending Characteristics
MTBE has an octane rating of 110 which makes it particularly useful as a
gasoline octane booster because aromatic compounds such as benzene, traditionally
used to increase gasoline octane, are limited under the reformulated gasoline
regulations. These regulations required that aromatic and benzene levels of gasoline
be reduced, thus refiners have relied more heavily on oxygenates to meet the octane
requirements.
MTBE also provides good dilution of undesirable components (aromatics,
sulfur, olefin and benzene). The MTBE molecule contains 18.2 percent oxygen by
weight. The dilution effect of oxygenates, including MTBEs, is directly
proportional to the volume used in gasoline, thereby playing an important role in
meeting reformulated gasoline requirements for these compounds.

14

Chapter two: Literature survey

Blending MTBE also makes it easier for refiners to meet distillation


temperature requirements for reformulated gasoline, due to its relatively low
boiling point. MTBE depresses the distillation temperature of the gasoline blend.
The blending of 11 percent MTBE into gasoline reduces the gasolines T 50 (the
R

temperature at which 50 percent of the gasoline evaporates) by 10 to 20 F, and the


T90 (the temperature at which 90 percent of the gasoline evaporates) by 2 to 6 F.
P

The favorable properties of MTBE make it a useful blending component.


MTBE readily mixes with other gasoline components and can be readily
transported through the existing gasoline distribution system. Refiners can easily
integrate blending, shipping and, in some cases, production of MTBE into their
existing operations.
2.6.2 Properties of Ethanol
Ethanol has been used in gasoline blends (known as "gasohol") in the U.S. for
many years. The most common blends historically contained 10 volume percent
ethanol. Ethanol can also be used as pure ethanol (E100) and as a blend of 85
volume percent ethanol mixed with15 volume percent gasoline (E85). Ethanol used
in the U.S. is produced domestically primarily from corn. There is ongoing research
to commercialize production of ethanol from other crops, as well as from cellulosic
materials such as wood or paper wastes. Since ethanol is produced from plants that
harness sunlight, ethanol is also considered a renewable fuel.
Currently, nearly a billion gallons of ethanol per year are added to U.S.
gasoline stocks to create gasohol, a 90 percent gasoline/10 percent ethanol [24].
In looking to ethanol use as an aid to reducing automotive air pollution, the
sought-after benefits are quite different for blends and neat ethanol use. The
addition of small quantities of ethanol to gasoline as in gasohol is viewed primarily
as a means to reduce carbon monoxide emissions; use of neat ethanol is viewed

15

Chapter two: Literature survey

primarily as a means to reduce concentrations of urban ozone, by reducing the


reactivity of the organic component of vehicle emissions [24].
Ethanol is made by the fermentation of sugars. More than half of industrial
ethanol is still made by this process. The ethanol produced by fermentation ranges
in concentration from a few percent up to about 14 percent. Ethanol is normally
concentrated by distillation of aqueous solutions, but the composition of the vapor
from aqueous ethanol is 96 percent ethanol and four percent water. Commercial
ethanol typically contains 95 percent by volume ethanol and five percent water.
Most industrial ethanol is denatured to prevent its use as a beverage. Denatured
ethanol contains small amounts, 1 or 2 percent each, of several different unpleasant
or poisonous substances [13].
Ethanol as lead replacement was proposed by Thomas and Kwong [25].
When lead is phased out of gasoline in Africa, the rising cost of lead additives and
of gasoline, and the falling cost of ethanol and sugarcane, have created favorable
economic condition for fuel ethanol production. Lead additives are used in
gasoline because they have been the cheapest source of octane. The most common
ways to eliminate the need for lead additives have been to upgrade refineries to
increase production of aromatic and alkylated hydrocarbons, or to use the additive
MTBE.
2.6.2.1 Physical Properties
Ethanol is an alcohol, a group of chemical compounds whose molecules
contain a hydroxyl group, -OH, bonded to a carbon atom. Ethanol (CH 3 CH 2 OH) is
R

a clear, colorless liquid with a characteristic agreeable odor. Ethanol is miscible


(mixable) in all proportions with water and with most organic solvents. Ethanol has
a boiling point of 173 oF and an energy content of 76,000 BTU per gallon [13].
P

16

Chapter two: Literature survey

2.6.2.2 Blending Characteristics


Ethanol has an octane rating of 115 and a blending RVP of 18. Ethanols
blending RVP is significantly higher than most of the ethers, including MTBE. The
ethanol molecule contains 34.8 percent oxygen by weight, almost twice as much as
MTBE. Thus, ethanol will provide less dilution than the other oxygenates when
blended at the same oxygen level.
The use of ethanol presents some blending and distribution-related problems
not seen with MTBE and the other ethers. Ethanol has a high affinity for water. If a
gasoline containing ethanol comes into contact with water, the water and ethanol
will combine into a separate phase and separate from the gasoline. Because of the
potential for phase separation, ethanol and gasoline containing ethanol are not
transported through pipelines where there is a possibility of water being present.
Therefore, when ethanol is blended into gasoline, the blending must be done at the
terminals. Terminals in California are not currently equipped to handle large
amounts of ethanol blending. A further complication is that most ethanol is
currently produced in the Midwest which adds additional costs to import it into
California.
Another important limitation to the use of ethanol in gasoline, specifically
during the summer months, is its effect on the RVP of gasoline. Ethanol will
increase the RVP of the blend by about 1 pound per square inch (psi) at the
required levels. Prior to the introduction of reformulated gasoline, ethanol blends
had been granted a 1 psi RVP allowance. The federal government does not provide
ethanol blends an RVP allowance where reformulated gasoline is required.
California also does not provide an RVP allowance for ethanol blends since the
Introduction of cleaner-burning gasoline [13].

17

Chapter two: Literature survey

2.6.3 Other Oxygenates


The process for producing ETBE is similar to that of MTBE. The refinery
feedstock is combined with ethanol in a controlled and optimized ratio to
isobutylene in a catalytic reaction. Side reactions of the ETBE process will produce
small amounts of TBA, DIB, and diethyl ether. Because of the azeotropic
properties of ethanol, the ETBE system differs markedly from that used for
MTBE/TAME. Significant amount of ethanol is present in the affluent from the
reactor which must be further fractionated to produce high purity ETBE.
ETBE and TAME are similar to MTBE in terms of the benefits they provide.
ETBE has a slightly higher and TAME slightly lower octane rating than MTBE.
Both ETBE and TAME have significantly lower blending RVP than MTBE.
However, ETBE and TAME provide less T 50 depression benefits than MTBE and
R

as a result they provide less flexibility to refiners in meeting the cleaner-burning


gasoline requirement for T 50 .
R

Tertiary butyl alcohol (TBA) has an octane rating of about 100, about 10
numbers less than MTBE but still higher than most gasoline blending components.
However, TBA, like ethanol, increases the volatility of gasoline or its tendency to
evaporate, so that the mixture of gasoline and TBA will not comply with
reformulated gasoline specifications for gasoline volatility, unless steps are taken to
adjust the volatility of the blend [13].
2.6.3.1 2-methyl-2-propanol
Also known as: t-butyl alcohol; 1,1-Dimethylethanol; Trimethylcarbinol; 2Methylpropan-2-ol; tert-Butanol; TBA; t-butyl hydroxide; trimethyl methanol;
Dimethylethanol; Methyl-2-propanol; tertiary-butyl alcohol .

18

Chapter two: Literature survey

tert-Butyl alcohol is used as a solvent, as a denaturant for ethanol, as an


0T

0T

ingredient in paint removers, as an octane booster for gasoline, as an oxygenate


0T

0T

0T

0T

0T

0T

0T

0T

gasoline additive, and as an intermediate in the synthesis of other chemical


0T

0T

commodities such as flavors and perfumes .


Tert-butyl alcohol (TBA) is a clear, noncorrosive liquid. It is miscible with
water as well as most common organic solvents and forms azeotrope. The
satirically hindered tertiary butyl group imparts stability compared to primary and
secondary alcohols. In result, the solubility and oxidative stability characteristics
provide many industrial applications as a reaction and process solvent and chemical
intermediate. It is used as a non-reactive solvent for chemical reactions, a nonsurfactant compatibilizer for many solvent blends, and a non-corrosive solvent. It is
used in free radical polymerizations to dissolve monomers. TBA is the main raw
material of tert-butyl functional group in organic synthesis. It is used as a coupling
aid for formulating pesticides and fertilizers in aqueous solutions without
generating an emulsion. TBA was used as a fuel additive for high octane
component to replace tetraethyl lead. TBA is used as a reaction solvent as well as
an intermediate for the product of organic peroxides, metal alkoxides. Tert-butyl
group is readily cleaved under strongly acidic conditions. TBA is a source to
produce alkylated aromatic and nitrogen compounds in mid acidic conditions.
Dehydration reaction of TBA yields isobutylene which is the main raw material of
MTBE, the mostly used fuel oxygenates.

2.7 ENVIRONMENTAL IMPACTS OF USING OXYGENATES


IN GASOLINE
The primary emission benefits of oxygenate use in gasoline is a reduction in
CO and hydrocarbon emissions from motor vehicles. Also, as reformulated

19

Chapter two: Literature survey

gasoline regulations have required the reduction of aromatic and benzene levels in
gasoline, oxygenates have played an important role in reducing these toxic
compounds. Although the use of oxygenates reduces the overall toxicity of vehicle
emissions, there are some potential adverse effects from the oxygenates
themselves.
By the late 1970s, lead emissions from automobiles were recognized as a
serious problem, and so a new class of octane-boosting additives emerged: alcohols
and ethers. Alcohol and ether additives provide several benefits including higher
octane, favorable cost-effectiveness, and lower air pollution emissions (by adding
oxygen to the gasoline). . Because of their physicochemical properties, these
``oxygenate'' additives move somewhat differently than other gasoline compounds
when spilled into the subsurface [26, 27, 28].

2.8 Methods of Calculation of Vapor-Liquid Equilibria by


Means of an Equation of State and Activity Coefficient
Models
The calculations of thermodynamic properties (especially vapor-liquid
equilibria) of mixture have been investigated by many authors using different
approaches.
The main procedure to improve the results obtained from EOS is to improve
the mixing rules. They generally give satisfactory results, but suffer from a
common weakness: they fail to describe asymmetric, mixture, namely mixture
constituted by molecules differing very much in size and shape, but especially in
intermolecular energy. As a consequence the parameters in the combining rules
lose their physical significance. To overcome these problems, many researchers
have turned their attention toward development of new mixing rules. All these

20

Chapter two: Literature survey

attempts can be roughly classified in two categories empirical mixing rules and
statistical mechanics mixing rules [29].
Gibbs energy models, such as NRTL and UNIQUAC have typically been
used to correlate the VLE of ethanol with hydrocarbons [30]. As these models
require binary interaction parameter for each pair, their use can be problematic in
modeling mixtures with a large number of components, such as gasoline.
Therefore, various versions of the UNIFAC group contribution approach have been
used in most studies of ethanol-gasoline volatility. However, the accuracy of
UNIFAC predictions for ethanol-gasoline volatility remains a concern [31, 32].
Phase equilibria of ethanol fuel blends studied by French and Malone [30]
illustrate the impact of ethanol used on the transportation fuel industry. They used
thermodynamics as a unifying

theme to understand these phenomena and they

reviewed available data and the state of the-art in modeling these effects.
Isobaric vapor-liquid equilibria were measured by Hiaki et al. [3] for 2Methoxy-2-methylpropane +Ethanol +Octane ternary system and for the
constituent binary systems MTBE+ Ethanol and MTBE +Octane at 101.3KPa. the
measurements were made in an equilibrium still with circulation of both the vapor
and liquid phases. The experimental data of binary system were correlated with the
nonrandom two liquid (NRTL) equations. The NRTL equation yields a good
prediction of activity coefficients for the ternary system from the parameter of
correlated binary systems.
VaporLiquid equilibrium of binary mixtures Ethanol + 1-Butanol, Ethanol +
Octane, and 1-Butanol + Octane was calculated by Hull et al. [2]. The activity
coefficients of these binary mixtures were determined at temperatures of (308.15,
313.15, and 318.15) K. the determination of the vapor phase composition at
equilibrium was carried out using headspace gas chromatography analysis.
Multiple headspace extraction was used to calibrate the headspace gas
21

Chapter two: Literature survey

chromatograph. Composition of the phase diagrams produced using standard


Legendre orthogonal polynomial techniques with phase diagrams from the
literature showed good agreement. The composition of the azeotropes was reported,
where applicable.
Hull et al. [33] measured the vapor-liquid equilibrium of binary mixtures.
Ethanol + 2,2,4-Trimethylpentane, 1-Butanol+2,2,4-Trimethylpentane, and ethanol
+ o-Xylene. The activity coefficients of these binary mixtures were determined at
temperatures of (308.15, 313.15, and 318.15) K. the molar Gibbs energy of mixing
is reported for all mixtures studied. The infinite dilution activity coefficients are
reported for all components of all mixtures. Some thermodynamic models (those of
Wilson, NRTL,and UNIQUAC) have been compared with regard to their suitability
for modeling the experimental data.
Menezes at el. [34] proposed an azeotropic ETBE/ethanol mixture as possible
oxygenated additives for the formulation of eurosuper-type gasolines. Two
eurosuper gasolines with different chemical compositions and well defined
characteristics of density, volatility and octane numbers were used.
In spite of the success of some researchers in describing mixtures of real
fluids, the rigorous statistical mechanics treatment of complex systems for which
excess Gibbes free energy (GE) models have customarily been used is not near. On
P

the other hand, empiricism should be introduced at some point in the development.
This theoretical approach, however, will be very useful in developing more
theoretically based functional relationship for treatment of real fluids [29].
Park and Lee [35] reported the isothermal vapor-liquid equilibrium (VLE)
data, the excess molar enthalpy (hE) and the excess molar volume (VE) of binary
P

liquid mixtures of methyl tert-butyl ether (MTBE) with methanol and ethanol. The
VLE data were measured at 313.15 K. The experimental data were correlated with
some GE models or empirical polynomial.
P

22

Chapter two: Literature survey

Hiaki at el. [36] measured isobaric vapor liquid equilibrium (VLE) for two
binary systems of 1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)ethane+2-methyl-2propanol and pentane+1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane system at
101.3 KPa. The measurements were made in an equilibrium still, with circulation
of both the vapor and liquid phases. The binary isobaric systems exhibit minimum
boiling azeotropes. The thermodynamic consistencies of the experimental data
were good by the Van Ness et al. and Herington methods. The experimental data
for the binary systems investigated were correlated with activity coefficient
equations. The nonrandom two-liquid (NRTL) equation yielded a good correlation
of activity coefficients.
Isobaric vapor-liquid equilibrium (VLE) of four binary systems methyl
tertiary butyl ether (MTBE) +methanol, MTBE +heptane, MTBE +octane and
MTBE +i-octane were measured by Watanabe at el. [37] at atmospheric pressure.
The VLE of a ternary system, MTBE +methanol + heptane, were also measured at
atmospheric pressure. These VLE data were predicted by ASOG and correlated by
Wilson equation, and the prediction and correlation performances were discussed.
Watanabe at el. [38] measured the isobaric vapor-liquid equilibria (VLE) of
two ternary systems (methyl tertiary butyl ether + methanol + octane and methyl
tertiary butyl ether + methanol + i-octane) at atmospheric pressure by using a
modified Othmer-type circulation apparatus.

The VLE data of these ternary

systems can be predicted by Wilson equation with the parameters determined by


VLE data of constituent binary systems.
Consistent vapor-liquid equilibrium data for the binary systems ethyl 1,1dimethylethyl ether (ETBE) + 2,2,4-trimethylpentane and ethyl 1,1- dimethylethyl
ether +octane at 94 kPa, including pure component vapor pressures of 2,2,4trimethylpentane and octane, have been experimentally determined by Wisniak at
el. [39]. The measured systems deviate slightly from ideal behavior, can be
23

Chapter two: Literature survey

described as symmetric regular solutions and present no azeotropes. Russinyol at


el. [40] reported The consistent vaporliquid equilibrium (VLE) data for the ternary
systems 3-methylpentane + ethanol + methylcyclohexane and ethanol + tert-butyl
alcohol (TBA) + methylcyclohexane at 101.3 kPa. The VLE data have been
correlated by Wilson, UNIQUAC and NRTL equations. The ternary systems do not
present azeotrope and are well predicted from binary interaction parameters.
Abu Al-Rub and Datta [41] measured the isobaric vapor-liquid equilibrium
(VLE) using the modified Othmer circulation still for the 2-methoxy-2methylpropane (MTBE)-ethanol mixtures at 90.0 and 101.3 kPa. Such oxygenate
mixtures are being considered for use as octane enhancers in gasoline. The
experimental data showed that at 101.3 kPa, this system has an azeotropic point at
95.02 mol% MTBE and 328.06 K. Reducing the pressure to 90.0 kPa did not result
in a significant alteration of the VLE of this system. the experimental data were
correlated to the Wilson and the NRTL models. The parameters obtained for these
models were used to calculate the bubble point temperature and the vapor phase
composition. The calculated data are in a good agreement with the experimental
results.
New consistent vaporliquid equilibrium (VLE) data for the binary system
methyl 1,1-dimethylpropyl ether (TAME)+2,2,4-trimethylpentane (isooctane) and
the ternary system 2-methyl-2-propanol (TBA)+methyl 1,1-dimethylpropyl ether
(TAME)+2,2,4-trimethylpentane (isooctane) are reported by Loras at el. [42] at
101.3 kPa. In the binary system, the results indicate a positive deviation from
ideality and no azeotrope is present. The ternary system presents a saddle point
azeotrope that can be predicted from binary data. The activity coefficients and
boiling points of the solutions were correlated with their composition by Wilson,
UNIQUAC and NRTL equations.

24

Chapter two: Literature survey

Vaporliquid equilibrium (VLE) data were reported by Aucejo at el. [43] for
the binary systems, 2-methylpentane+ethanol and 2-methylpentane+2-methyl-2propanol (TBA), at 101.3 kPa, including pure component vapor pressures. The
systems deviate remarkably from ideal behaviour presenting one positive
azeotrope. The activity coefficients and boiling points of the solutions were
correlated with its composition by Wilson, UNIQUAC, and NRTL equations.
Vapor-Liquid Equilibria of the Blended Octane Enhancers in a Gasoline
Hydrocarbon studied by Chen Ku [44] illustrated the fuel oxygenates such as ethers
and alkanols which are frequently added to reformulated gasoline to improve the
octane rating and decrease air pollution. The blended octane enhances considered
are acetone + ethanol and acetone + diisopropyl ether, and gasoline hydrocarbon is
2,2,4- trimethylpentane (isooctane). The vapor-liquid equilibrium (VLE) was
measured at 101.3 kPa for five binary systems (T=329~372K) and two ternary
systems (T=329~360K) formed by acetone, ethanol, diisopropyl ether, and 2,2,4trimethyl pentane (isooctane). The activity coefficients of binary and ternary liquid
mixtures were calculated by both the equation with fugacity coefficients and the
equation based on modified Raoults law. The fugacity coefficients were calculated
according to the SRK equation of state. Minimum boiling azeotropes were
exhibited in three binary systems of acetone + 2,2,4-trimethylpentane, diisopropyl
ether + ethanol, and ethanol + 2,2,4-trimethylpentane. Azeotropic behavior was
not found for the ternary mixtures. The thermodynamic consistency of binary
systems was treated by the point test, area test, and infinite dilution test from
Kojima et al., and the direct test from Van Ness. The thermodynamic consistency
of the ternary data was tested by a modified McDermott-Ellis method. The activity
coefficients of binary systems were correlated by using the Wilson, NRTL, and
UNIQUAC models. The models with their best-fitted parameters were used to

25

Chapter two: Literature survey

predict the ternary vapor-liquid equilibrium. The excess molar Gibbs free energy,
equilibrium boiling temperature deviation, and vapor-phase composition deviation
of binary mixtures were correlated by using the Redlich-Kister equation.
Hiaki at el. [45] measured isothermal vapor-liquid equilibria for
ethanol+octane at 343.15 K and 1-propanol+octane at 358.15 K. The measurements
were made in a still with the aid of a computer for control of the temperature and
measurement of the total pressure. The results were best correlated with the Wilson
equation for the system of ethanol+octane and with the nonrandom two-liquid
(NRTL) equations for the 1-propanol+octane system
Aucejo at el. [46] reported the consistent vaporliquid equilibrium data for
the binary and ternary systems ethanol+2-methyl-2-propanol (TBA) and 2methylpentane+ethanol+TBA at 101.3 kPa. In the binary system, the results
indicate a negative deviation from ideality and no azeotrope is present. The ternary
system shows negative and positive deviations from ideality, does not present
azeotrope, and is well predicted from binary data. The activity coefficients and
boiling points of the solutions were correlated with its composition by using
Wilson, UNIQUAC and NRTL equations.
Vaporliquid equilibrium of octane-enhancing additives in gasolines were
studied by Alonso at el. [47] who reported the experimental isothermal Px data at
T=313.15 K for the binary systems 1,1-dimethylethyl methyl ether (MTBE)+nhexane and methanol+n-hexane, and the ternary system MTBE+methanol+nhexane. Wilson, NRTL and UNIQUAC models have been applied successfully to
both the binary and the ternary systems. Moreover, they compare the experimental
results for these binary mixtures to the prediction of the UNIFAC (Dortmund)
model. Experimental results have been compared to predictions for the ternary

26

Chapter two: Literature survey

system obtained from the Wilson, NRTL, UNIQUAC and UNIFAC models; for the
ternary system, the UNIFAC predictions seem poor. The presence of azeotropes in
the binary systems has been studied.
A total pressure measurement approach leading to pTz data is presented by
Pokki at el. [48] who determined isothermal vapourliquid equilibria for five
binary systems 1-butene+methanol, + ethanol, + 2-propanol, + 2-butanol and + 2methyl-2-propanol at 326 K. Error analysis of the measured results has been
presented. All systems exhibit positive deviation from Raoults law and 1butene+methanol showed azeotropic behaviour.
Fischer and Gmehling [6] give a comparison of several mixing rules in the
Soave-Redlich-Kwong EoS based on predictive GE models. Their results for nine
P

systems with a great variety of substances divide the methods in to two groups:
older data with ~3.5% error in pressure and ~2% error in vapor mole fraction, and
new data with ~2.5% error in P and 1% error in y 1 .
R

27

CHAPTER THREE: THE THEORY

CHAPTER THREE

THE THEORY

3.1 Phase Equilibrium


The term phase equilibrium implies a condition of equilibrium between
two or more phases. By equilibrium we mean no tendency toward change with
time; the term phase denotes any quantity of matter that is either
homogeneous throughout or contains no discontinuity of properties within the
space it occupies. The term homogeneous is intended to include portions of
material that may have been physically separated from one another but are
identical in properties and composition; the alternate specification of no
discontinuity of properties throughout allows us to consider as a phase a portion
of matter that is undergoing a dynamic change with property gradients existing
within it but having no boundary across whose properties are discontinuous. In
certain applications it is also convenient to consider physically separated regions
of material, each of which has similar property values and gradients as a single
phase.
The term Vapor-Liquid Equilibrium (VLE) refers to systems in which a
single liquid phase is in equilibrium with its vapor, schematic diagram of the
vapor-liquid equilibrium is illustrated in Figure 3.1. In studies of phase
equilibrium, however, the phase containing gradients is not considered.
Wherever gradients exist there is a tendency for change with time; hence there is
no equilibrium. On the other hand, there can be two or more phases, each of
which is homogenous throughout, with no tendency for any change in properties
with time, even though the phases are in intimate physical contact with one
another. The latter is the condition that we denote by the term phase
28

CHAPTER THREE: THE THEORY

equilibrium. In a condition of phase equilibrium there are some properties that


are drastically different between the phases and others that must be identical for
all phases to prevent a change in properties within individual phases from
occurring [49]. The thermodynamic equilibrium determines how components in
a mixture are distributed between phases.
liquid
vapor

Figure 3.1 Schematic diagram illustrating the vapor-liquid equilibrium of binary


system.

3.2 Equation of State


Equations of state are widely used in the prediction of thermodynamic
properties of pure fluids and fluid mixtures, in part because they provide a
thermodynamically consistent route to the configurational properties of both
gaseous and liquid phases. Consequently, equation of state method may be used
to determine phase equilibrium conditions as well as other properties. Many
equations of state have been proposed in the technical literature, but almost all
of them are essentially empirical in nature. A few (e.g. the equation of Van der
Waals) have at least some theoretical basis, but all empirical equations of state
for a pure gas have at best only approximate physical significance. It is very
difficult (and frequently impossible) to justify mixing rules for expressing the
constants of the mixture in terms of the constants of the pure components which
comprise the mixture. As a result, such relationship introduces further arbitrary
empirical equation of state; one set of mixing rules may work for one or several
mixtures but work poorly for others.
The term equation of state is used to describe an empirically-derived
function which provides a relation between pressure, density, temperature and
(for a mixture) composition, such a relation provides a prescription for the

29

CHAPTER THREE: THE THEORY

calculation of all of the configurational and residual thermodynamic properties


of the system within some domain of applicability. The functional form of most
equations of state has been arrived at by combining some semi-rigorous
theoretical analysis of molecular interactions with a parameterization that
permits satisfactory reproduction of certain experimental data such as vapor
pressures and compression factors. Among all types of equation of state, the
most popular class is formed by the so-called cubic equation of state so named
because, although usually written in pressure-explicit form (P is given by a
polynomial in 1/V with temperature and composition dependent coefficients)
[50].
P = P (T, V)

(3.1)

When solved with respect to volume they give rise to a cubic equation,
which can be solved by fast and accurate method, with no ambiguity in the
choice of the roots, so avoiding one of the main problems posed by other, more
complex equations of state.
There are two common types of equations of state: one of these expresses
the volume as a function of the temperature, pressure, and mole numbers
(volume-explicit equation) while the other expresses the pressure as a function
of the temperature, volume, and mole numbers (pressure-explicit equation). The
latter form is more common but, since pressure (rather than volume) is a
preferred independent variable, it is more convenient, whenever possible, to use
a volume-explicit equation of state.
The oldest, simplest and best known cubic equation of state is that
conceived by Van der Waals in the 19th century, his equation accounts for two
P

effects:
1.

The volume of the molecules reduces the amount of free volume in the
fluid, and therefore the molar volume the fluid is V b.

30

CHAPTER THREE: THE THEORY

2.

The attraction of the molecules produces an additional pressure The


pressure of the fluid is therefore corrected by a term related to the attraction
parameter a of the molecules: P + a/V2
P

The resulting equation is:

a
P = RT 2
V b V

(3.2)

Here P is the pressure, T the temperature and V the molar volume. In this
equation, the first term on second member expresses (in a somewhat simplified
form) the effect of repulsion between molecules, assimilated to hard spheres,
while the second term expresses the attraction forces due to the Van der Waals
forces. After some manipulation one can show that this equation is cubic in the
volume. This property is the minimum requirement for an equation that shall
exhibit phase separation. It should be mentioned that the van der Waals equation
is not accurate but is historically important and useful for qualitative
investigations. Today there are hundreds of different equations of state out there
which have been developed theoretically or empirically for lots of substances or
substance classes.
The traditional way of calculating phase equilibria features the use of
activity coefficient model to describe liquid-phase non-idealities and an equation
of state to describe vapor phase non-idealities. This method has proven to be
accurate in the low-to moderate pressure regions and thus can be used to
represent highly non-ideal systems. However, activity coefficient models have
some limitations. Difficulties and inaccuracies arise when calculating highpressure equilibria and equilibria for mixtures that contain supercritical
compounds. In addition, the number of parameters used in the activity
coefficient models ranges from two to four parameters per binary, a
characteristic that leads to errors when extrapolating experimental data. Cubic
equations of state do not inherently suffer from these limitations. They present a
31

CHAPTER THREE: THE THEORY

simple, robust, and computationally economical method of correlating phase


equilibria for hydrocarbons and slightly polar systems. Their only limitation lies
in the prediction of phase equilibria for polar and highly polar mixtures. Much
research has been aimed at overcoming this deficiency through the development
of new mixing rules.
With the development of computers, the equation of state route for
calculation of phase equilibria proved a powerful tool, thus great impulse was
given to the development of new, accurate equation of state. The use of a single
equation of state to reproduce the thermodynamic properties of both pure
compounds and mixture (in vapor or liquid phase) has been one of the most
elusive research goals of thermodynamicists for over a century.

3.2.1 Properties from Equation of State


A fundamental equation of state may be used to obtain all of the
thermodynamic properties of the fluid. The more usual P-V-T equation of state
permits calculation of all configurational and residual thermodynamic properties
of the fluid within that equation domain of applicability.

3.2.1.1 Fugacity and Fugacity Coefficients


When two or more phases are at equilibrium in direct contact across an
interface, the potentials for change must be zero. This means that there is no
tendency for mass or energy to cross the boundary, thus any transport of
material or energy from one phase to the other will be a reversible process. It is
evident that in order for a condition of equilibrium to exist the temperature of
the phases must be the same, otherwise an irreversible flow of heat will occur. It
is also evident that, if the phases are in direct contact with one another, the
pressure must be the same in all phases; otherwise the force imbalance would
tend to compress one phase and expand the other, with a net irreversible
exchange of energy. These two conditions are not sufficient to ensure phase

32

CHAPTER THREE: THE THEORY

equilibrium, however, and the remaining conditions required are not quite so
self-evident. The classic work of Gibbs defined the remaining conditions that
ensure equilibrium between phases; his thermodynamic treatment is based on
the concept of the chemical potential. Two phases are in thermodynamic
equilibrium when the temperature of one phase is equal to that of the other and
when the chemical potential of each component present is the same in both
phases. For engineering purposes, the chemical potential is an awkward
quantity, devoid of any immediate sense of physical reality. Lewis [49] showed
that a physically more meaningful quantity, equivalent to the chemical potential,
could be obtained by a simple transformation, the result of this transformation is
a quantity called the fugacity, which has units of pressure. Physically, it is
convenient to think of the fugacity as a thermodynamic pressure since, in a
mixture of ideal gases, the fugacity ( f ) of each component is equal to its partial
pressure. In real mixture, the fugacity can be considered as a partial pressure,
corrected for nonideal behavior.

ig

=P

(3.3)

where f ig is the fugacity of ideal gas


P

For a vapor phase (superscript V) and a liquid phase (superscript L), at the
same temperature, the equation of equilibrium for each component i is expressed
in term of the fugacity ( f i ):
R

fi

fi

(3.4)

This equation is of little practical use unless the fugacity can be related to
the experimentally accessible quantities x, y, T, and P, where x stands for the
composition (expressed in mole fraction) of the liquid phase, y for the
composition (also expressed in mole fraction) of the vapor phase, T for the
absolute temperature, and P for the total pressure, assumed to be the same for
33

CHAPTER THREE: THE THEORY

both phases. The desired relationship between fugacities and experimentally


accessible quantities is facilitated by auxiliary function, which is the fugacity
coefficient () [49].
The ratio of fugacity to pressure is known as fugacity coefficient, and it is
a dimensionless ratio [4].

f
P

(3.5)

For the vapor phase the fugacity coefficient i relates the vapor-phase
R

fugacity f i V to the mole fraction y i and to the total pressure P. it is defined by:
R

RP

i =

fi
yi P

(3.6)

A rigorous relation exists between the fugacity coefficient of a component


in a phase and the volumetric properties of that phase; these properties are
conveniently expressed in the form of an equation of state. In order to obtain
fugacity coefficient by using an EOS the following expression is used:

ln i = 1
RT

n i
T , V , n

ji

RT dV ln z
V

(3.7)

where n i is the number of moles of component i [50].


R

A component in a mixture exhibits nonideal behavior as a result of


molecular interactions, only when these interactions are very weak or very
infrequent is ideal behavior approached. The fugacity coefficient i is a
R

measure of nonideality and the departure of i from unity is a measure of the


R

extent to which a molecule i interacts with its neighbors. The fugacity

34

CHAPTER THREE: THE THEORY

coefficient depends on pressure, temperature, and composition, this dependence,


in the moderate pressure region is usually as follows:
a. At constant temperature and composition, an increase in pressure almost
always causes i to depart further from unity, usually in the direction
R

i <1.
R

b. At constant pressure and composition, an increase in temperature almost


always causes i to become nearer to unity.
R

c. At constant pressure and temperature, the effect of composition on i is


R

strongest when the composition is small. If the composition is near unity, a


change in composition has relatively little effect on i . However, it does
R

not necessarily follow that i comes closer to unity as the composition


R

increases. In fact for a very heavy component i mixed with a very light
component j, it frequently happens that i is nearer to unity for small
R

amount of component i than it is for small amount of component j.


At constant pressure, temperature, and composition, the effect of a molecule j
on i is most pronounced whenever j is chemically very much different from i.
R

In polar mixtures, where specific interactions like hydrogen bonding may occur,
the effect of composition may be very large. Since in some cases the error
introduced by neglecting vapor or liquid phase nonideality is quite appreciable,
and since the computer can easily takes such nonideality into account, it is
recommended that vapor and liquid fugacity coefficients should always be
included in vapor-liquid equilibrium calculations.

3.2.2 Redlich - Kwong Equation of State (RK EOS)


At the time of its introduction, (Redlich-Kwong, 1949), this equation was
considered to be a considerable improvement over available equations of
relatively simple ones. In his book published in 1978, Redlich states there was

35

CHAPTER THREE: THE THEORY

no particular theoretical basis for the equation; rather it is to be regarded as an


effective empirical modification of its predecessors.
The full form of the Redlich-Kwong equation of state is given in Table
3.1 together with relations for all parameters involved. The mixture combining
rules shown here are the conventional ones discussed above in connection with
Van der Waals equation but now incorporating binary interaction parameters in
the attractive term.
About 110 modifications to the Redlich-Kwong equation have been
proposed to date including the widely used equation of Soave (henceforth called
the SRK equation) which will be discussed in the next section. Although a great
improvement over Van der Waals equation, the basic Redlich-Kwong equation
gives useful results for only a few rather simple fluids. This is because the
parameters of the equation are based entirely on the two critical constant T C and
R

P C and do not incorporate the acentric factor, as well as the critical


R

compressibility factor (Z C ) of RK-EOS is constant and its value equal 1/3 for all
R

fluids. Because of this shortcoming, the RK equation is inaccurate around


critical region [50].
Table (3.1) Redlich-Kwong Equation of State

a T
P = RT V (V +b)
V b
3

Z Z

(A B B)Z AB = 0
2

A=

Where

x x
i

B=

(3.8)

x B
i

j 1 k ij

(3.9)

Ai A j

(3.10)

(3.11)

36

CHAPTER THREE: THE THEORY

a=

x x
i

b=

j 1 k ij

(3.12)

ai a j

x b

(3.13)

i i

and

Ai = 0.42748

a i = 0.42748

P ri

B i = 0.08664

2.5

T ri

T
C
i

P Ci

P ri
T ri

(3.14)

2.5

RT Ci
bi = 0.08664
P Ci

(3.15)

Note: k ii =0
R

3.2.3 Soave Redlich - Kwong Equation of State (SRK


EOS)
Soave defined which is made the parameter (a) function of reduced
temperature (T r ) and acentric factor () [i.e., =f (T r , )] to overcome the
R

difficulty of inability of equations of state to represent the entire fluid range


which prevents their use for the vapor-liquid equilibria calculations.
Soave calculated the values of at a series of temperature of a number of
pure hydrocarbons, using the equality of vapor and liquid fugacities along the
saturation curve. The fugacity of each component in a mixture is identical in all
phases at equilibrium. This is equally true for a single component system having
vapor and liquid phases at equilibrium. In this case,
L

fi

fi

(3.4)

This equation is valid at any point on the saturation curve, where the
vapor and liquid coexist in equilibrium.

37

CHAPTER THREE: THE THEORY

Soave calculates the values of over a temperature range of T r =0.4 to


R

1.5 for a number of light hydrocarbons and found that 0.5 was linear function of
P

T r 0.5 with a negative slope for each fluid studied. It is represented by the
R

RP

following equation:

0.5

= c m T r

0.5

(3.16)

Because =1.0at T r =1.0, so, Eq.(3.16) may be written as follows:


R

0.5

= 1 + m 1T r

0.5

(3.17)

To obtain the value of m, it is calculated at T r = 0.7 since is calculated


R

at T r = 0.7 from definitions.


R

=
m

Tr = 0.7

0.5

(1 0.7)0.5

(3.18)

In this manner the values of m are calculated for a series of values from
0 to 0.5 with an interval of 0.05 and then correlated as a quadratic function of ,
as follows:

m = 0.48506 +1.55171 0.15613

(3.19)

Soave replaced a/T0.5 by a(T) so, that the equation of state becomes:
P

a (T )
P = RT V (V +b)
V b

(3.20)

Eq.(3.20) in polynomial form in Z factor will thus be


3
2
2
Z (1 B ) Z + (A B B )Z AB = 0

(3.21)

The compressibility factor (Z) is determined from the cubic equation of


state by solving it with iterative procedure using Newton-Raphson method. One
38

CHAPTER THREE: THE THEORY

or three real roots can be obtained; in the late case, the smallest root will be
taken for a liquid phase and the highest one for a vapor phase [51].

3.2.3.1 SRK-EOS Parameters


Soave predicates a new method for determining the new equation
parameters, as follows:

=
i 1 + mi 1

T ri

(3.17)

mi = 0.48508 +1.55171 i 0.15613 i

Ai = 0.42747 i

a i = 0.42747

P ri

B i = 0.08664

T ri

RT

C
i

(3.19)

P ri
T ri

(3.22)

RT Ci
bi = 0.08664
P Ci

P Ci

(3.23)

3.2.3.2 SRK-EOS Mixing Rules


In order to extend the application of SRK-EOS to mixtures,

A=

x x
i

B=

j 1 k ij

Ai A j

(3.24)

x B
i

(3.25)

a =

x x
i


1 k ij (a i i)(a j j )

39

(3.26)

CHAPTER THREE: THE THEORY

b=

x b

(3.27)

i i

These mixing rules connect the mixture parameters to pure component


parameters and mixture composition.
Such rules are adequate for regular solutions, such as hydrocarbon
mixtures. In presence of polar component they must be improved by introducing
empirical correlation terms [52].

3.2.3.3 SRK-EOS Fugacity Coefficient

B
B
ln i = i (Z 1) ln (Z B ) + A i 2
B
B B a

(

x j 1 k ij ai i)(a j j) ln 1+ B
Z
j

(3.28)

3.2.4 Peng-Robinson Equation of State (PR EOS)


Peng-Robinson (PR) proposed an equation (henceforth called the PR
equation) of the form:

a (T )

P = RT
V b V (V + b) + b (V b)

(3.29)

Eq. (3.32) can be written as:


2
3
2
2
3
Z (1 B ) Z + (A 3B 2B )Z (AB B B ) = 0

(3.30)

Like SRK equation PR equation (Eq. (3.26)) yields one or three roots
depending upon the number of phases in the system. In the two phase region, the
largest root is for compressibility of the vapor while the smallest positive root
corresponds to that of the liquid.
In PR-EOS a is also function of , and function is:

0.5

0.5

= 1+ k 1 T r

(3.31)

where k is a constant that has been correlated against the acentric factor. The
resulting k equation is:
40

CHAPTER THREE: THE THEORY

k = 0.37464 +1.54226 0.26992

(3.32)

It is interesting to note that Eq.(3.32) is similar to that obtained by Soave


for the SRK equation although Eq.(3.32) is arrived at for substance using vapor
pressure data from the normal boiling point to the critical point whereas Soave
uses only the critical point and calculates vapor pressure at T r = 0.7 based on the
R

value of a centric factor [53].


Both Soave and Peng-Robinson equations are excellent in predicting the
vapor pressure. This important capability terms from the remarkably expression
for an Eq. (3.17) for Soave modification, and Eq. (3.32) for Peng-Robinson
equation, rather than from formulation of the EOS. But the form of the EOS
does affect the predicting of molar volumes in the dense phase region, where PR
equation, although not as accurate as desired, shows a mark improvement over
the Soave equation [8].

3.2.4.1 PR-EOS Parameters


PR-EOS parameters are calculated from the following equations:

Ai = 0.45724

a i = 0.45724

P ri
2

T ri

RT

C
i

P Ci

P ri
T ri

(3.33)

RT Ci
P Ci

(3.34)

B i = 0.0778
2

bi = 0.0778

3.2.4.2 PR-EOS Mixing Rules


PR-EOS is extended in order to be applied to mixture using suitable
mixing rules, which are:

41

CHAPTER THREE: THE THEORY

A=

x x
i

B=

j 1 k ij

(3.35)

Ai A j

x B
i

(3.36)

a =

x x
i

b=


1 k ij (a i i)(a j j )

(3.37)

x b

(3.38)

i i

3.2.4.3 PR-EOS Fugacity Coefficient


Fugacity coefficient for PR-EOS is obtained by substituting Eq. (3.29)
into the thermodynamic equation Eq.(3.7) and the following equation is obtained
[53]

ln i =

Bi ( ) ( ) + A Bi 2
Z 1 ln Z B
2.828B B a
B

x j 1 k ij (ai i)(a j j ) ln Z + 2.414B


Z 0.414 B

(3.39)

3.2.5 SRK and PR Equations of State Failure and


Improved Points
SRK and PR are the most successful cubic equations for phase
equilibrium calculation. The critical compressibility factor for PR equation Z c =
R

0.307 is a marked improvement over the (1/3) that is predicated by RK equation


and Soave modifications. However, the value is still far from the actual critical
compressibility factor of real fluids except for Hydrogen and Helium. This fact
forms the failure point of both Soave and Peng-Robinson equation, that is the
assumption of a particular (fixed) value of the critical compressibility factor and,
as a result, the predicted densities of the saturated liquids and the predicted
critical volumes differ considerably from their experimental values (especially

42

CHAPTER THREE: THE THEORY

for substance whose critical compressibilities are significantly different from the
values assumed by these equations). The Soave equation together with that of
Peng and Robinson are today probably the two most widely used equations of
state. Because of the way in which the attractive terms have been tailored to
achieve a fit to vapor pressure data, and the incorporation of the acentric factor,
these equations usually permit VLE calculations to be made with acceptable
accuracy.

3.3 Activity Coefficient Models


In several cases, better results are obtained for properties of
vapor-liquid equilibria when the fugacity of components in the liquid
phase is estimated from an activity-coefficient mode [50].

3.3.1 Activity and Activity Coefficients


The activity i of substance i in a mixture of n components is defined by
R

the relation

i (T , P, x1 , x2 xn ) = f i (T , P, x1 , x2 xn ) / f i s (T )

... (3.40)

In which f i (T, P,x 1 , x 2 , ....x n ) is the fugacity of component i under the


R

specified conditions of temperature, pressure and composition, and f i s (T)


R

RP

is the standard-state fugacity at the given temperature. Thus

f i s = is Pi s

(3.41)

where P i s is the pressure and i s the fugacity coefficient of the pure


R

RP

RP

saturated vapor at the given temperature.


The activity is usually expressed in terms of the corresponding
activity coefficient i defined by
R

43

CHAPTER THREE: THE THEORY

i =

f
i
= is
xi xi f i

(3.42)

Thus the fugacity of component i in a liquid mixture may be written

f i L = xi i is Pi s i

(3.43)

And

[(

)(

i = exp Vi L / RT P Pi s

)]

(3.44)

which is known as the Poynting factor. Frequently, the partial molar


volume (V i L) is not a function of composition and pressure and is therefore
R

RP

approximated by the atmospheric pressure.

3.4 Vapor Pressure Equations


The scientific and engineering literature contains a very large database of
experimental vapour pressures covering a vast number of compounds. For
practical purposes it is desirable to have a correlation of the data for each
substance of interest and several well-known equations have been proposed
for this purpose. By far the most well-known empirical formula for the
correlation of vapor pressure data is Antoine's equation:

ln P s = A

B
T +C

(3.45)

Values of the parameters A, B and C which appear in this equation are available
for a large number of compounds.
Antoine's equation may not entirely satisfactory over the full range of
vapor-liquid coexistence in cases where the reduced vapor pressure at the triple
point is extremely small or where it is desired to represent high quality
experimental data to within its uncertainty. More accurate formulae,
44

CHAPTER THREE: THE THEORY

such the six parameter equation due to Wagner [54] have been proposed for that
purpose.

3.5 Prediction and Correlation of Vapor Liquid

Equilibrium.Data
Interpolation and extrapolation of thermodynamic data of liquid mixtures
are common necessities in chemical engineering. The model of ideal solution is
useful for providing a first approximation and a reference, but deviations from
ideality are frequently large. These deviations are expressed by excess functions,
which depend on the concentrations of the components and on temperature [4].
The most important of these is the excess Gibbs free energy because the
canonical variables for Gibbs energy are temperature and pressure. Since these
variables can be directly measured and controlled, the Gibbs energy is a
thermodynamic property of great potential [55]. Thus, when G/RT=G (T, P) are
given, all other thermodynamic properties can be evaluated by simple
mathematical operation. Excess Gibbs energy GE is defined as the difference
P

between the actual property value of solution and the value it would have as an
ideal solution, at the same temperature, pressure, and composition. Thus;
GE = G - Gid
P

(3.46)

where the superscript id denotes an ideal solution value. Activity coefficient i


R

has traditionally been calculated from correlating equations for GE/RT by


P

applying the following equation [56].

nG E / RT
ln i =

(3.47)

45

CHAPTER THREE: THE THEORY

For liquid solution, GE is a weak function of pressure at low to moderate


P

pressure; therefore the pressure dependence of activity coefficient is usually


neglected. Thus, at constant temperature, GE/RT=g(x 1 , x 2 , x 3 , ).
P

Therefore, many proposed models in the literature can be used to correlate


the measured experimental data for binary, ternary, and multicomponent
systems. Among these models are NRTL , UNIQUAC , and UNIFAC .

3.5.1 Non-Random Two-Liquid (NRTL) Model


The NRTL model was developed by Renon and Prausnitz [56,57] in an
attempt to overcome the inadequacy of the Wilson equations in
describing liquid-liquid equilibria.
The NRTL model contains three parameters per binary interaction,
compared with the two parameters of the Wilson and T-K-Wilson models, but
is based on a similar local composition treatment. According to the NRTL
model, the excess Gibbs free energy is correlated by

21G21
12G12
GE
= x1 x2
+

+
+
RT
x
x
G
x
x
G
2
1 12
1 2 21

(3.48)

where

Gij = exp( ij )

And

ij = g ij / RT

(3.49)

Here g ij , and g ji denote energy parameters, while is best viewed as a


R

purely empirical parameter; all three are supposed independent of temperature.


The activity coefficients determined for a binary system from Eq.(3.48) are:

46

CHAPTER THREE: THE THEORY

2
G

G12
21
+ 12
ln 1 = x 21
( x +x G
x1 + x2 G21
2 1 12
2
2

)2
(3.50)

2
G

G21
2
12

+ 21
ln 2 = x1 12
2

x2 + x1G12
(x1 + x2 G21 )

The multicomponent form of the NRTL equation is given by:

G
=
RT

x
i =1

j =1
n

ij

Gij x j

Gki xk

(3.51)

k =1

where

ji =

g ji g ii

(3.52)

RT

G ji = exp( ji ji )

(3.53)

The activity coefficient is obtained by appropriate differentiation of Eq.


(3.51):
n

x
G
ki xk Gki n

k kj kj
x
G
j
ij

k =1
ln i = k =1n
+ n
ij
n

j =1
x
G
x
G
x
G

k ki
k kj
k kj
k =1
k =1
k =1

(3.54)

where
ii = jj = 0

And

Gii = G jj = 1

(3.55)

47

CHAPTER THREE: THE THEORY

3.5.2 The UNIQUAC Equations


The

UNIQUAC

(Universal

Quasi-Chemical)

equations,

were

developed by Abrams and Prausnitz [58] and are based on a semitheoretical approach to mixture problem that includes a local composition
model. It was also recognized that the non-ideality of liquid mixtures has
contributions not only from specific interactions but also from the differences
in the size and shape of the molecules Consequently, in the UNIQUAC model,
the Gibbs free energy of the mixture is correlated by the sum of two
separate terms,

GmE / RT = Gmc + Gmr / RT

(3.56)

which comprise:
- A contribution

Gc m , known as the configurational term, due to differences

PR

sizes and shapes; and


- A contribution Gr m , known as the residual term, is due to energetic
P

PR

interactions between the molecules.


Consequently, the logarithm of the activity coefficient for each component
configurational and residual contributions is:
ln i = ln ic + ln ir

(3.57)

The original formulation of the free energy terms was modified by Andersen
0T

et al. [59] who arrived at the following expressions for a binary mixture:
0T

0T

0T

48

0T

CHAPTER THREE: THE THEORY



1

G mc / RT = x1 ln 1 + q1 z ln 1 + x 2 ln 2
1
x2
x1 2

1
+ q 2 z ln 2
2
2

(3.58)

Gmr / RT = x1 q1' ln 1' + 2' 21 x 2 q 2' ln 1' 12 + 2'

The quantities i , i and ' i which appear here are pure substance parameter
R

given by

xi qi'
,
=
x1 q1' + x 2 q 2'

i =

'
i

(3.59)

xi q i
,
x1 q1 + x 2 q 2

i =

xi ri
x1 r1 + x 2 r2

where r i is determined by the volume and q by the surface area of the molecule
0T

both of which may be deduced in principle from crystallographic measurements


on the pure solid. These area and volume parameters are however usually
0T

obtained by a group contribution method and tables exist [60, 61] which
permit values to be determined for a very large selection of molecules. Usually,
q' i =q i so that ' i = i but for water and alcohols modifications to q' i have been
R

made to improve agreement

with experimental results. z is a co-ordination

number to which the value 10 is usually, but not necessarily, assigned. Finally,
the model contains two adjustable binary energy parameters u 12 and u 21 that
0T

enter the residual part of the excess Gibbs free energy through the quantities 12
R

and 21 which are defined by

ij = exp( uij / RT )

(3.60)
0T

The contributions to the activity coefficient of component i which result from


this formulation are:

49

CHAPTER THREE: THE THEORY

z
ln ic = ln i + ln i
xi 2 i

+ j (li ri l j / r j )

(3.61)

ln = q ln + ji
r
i

'
i

'
i

'
j

ji
ij

+ q '
'
'
+ '
i ij + j
j ji
i
' '
j i

where

li =

z
(ri qi ) (ri 1)
2

(3.62)

For multicomponent systems, the UNIQUAC equation is given as follows:


n
n
i z n
i
G E
n

= xi ln + qi xi ln qi xi ln j ji (3.63)
RT
xi 2 i =1
i i =1
i 1
i =1

The activity coefficient for component i in a mixture of n component is given


by:

ln = ln i + ln i + li i
xi
xi 2 i
c
i

x l
j =1

j j

'

n ' n j ij
r
'

ln i = qi 1 ln k ki n

k =1
j =1 '

k kj

k =1

50

(3.64)

(3.65)

CHAPTER THREE: THE THEORY

ii = jj = 1 ,

Where

i =

xi ri
n

x j rj

i =

j =1

and

xi q i
n

xjq j

z=10

=
'
i

(3.66)

xi qi'
n

x j q 'j

(3.67)

j =1

j =1

The UNIQUAC model is one of the most successful two-parameter models


in use today and extensive tabulations of the pure-component and binary
parameters are available

[62].

Only

pure-component

and

binary

parameters are required for application to multi-component systems and the


model is useful in both VLE and LLE problem.
0T

3.5.3 Principle of the Group Contribution Methods


The principle of utilizing a group contribution method is that the molecules
in the solution are broken down into so-called functional groups .The number of
different functional groups is smaller than the number of different molecules. It
is assumed that the physico-chemical properties of a molecule can be obtained
as a sum of the properties of the groups. This gives us the possibility to describe
the properties of a compound using the interactions between the groups. All
group contribution methods are approximate, because the effect of one certain
group in one molecule is not necessarily exactly the same as the effect of the
same group in another molecule. The basic principle of the effect of a group
does not depend on properties of the other groups of molecules. In UNIFAC the
activity coefficient is divided into two parts. The development is heavily based
on the UNIQUAC model. In UNIQUAC the combinational part of the activity
coefficient describes the phenomena caused by size differences of the molecules
and the residual part represents the energetic interaction. In UNIFAC model the

51

CHAPTER THREE: THE THEORY

combinatorial part of UNIQUAC is used, and for the residual, a model based on
the group contribution has been developed [19].

3.5.3.1 UNIFAC MODEL


The UNIquaQ Functional group Activity Coefficient (UNIFAC)model
was developed largely by Fredenslund et al.[63,64]. Its prime use is as a
prediction tool for the activity coefficient in multicomponent system where there
is insufficient data to apply a better-founded method. Application of the model
is restricted to the temperature range 273-373 K.
The model is based on the UNIQUAC equation with all pure component
and pinary parameter determined by empirical group contribution methods.
In the UNIFAC method, the configuration part of the UNIQUAC activity
coefficient, Eq. (3.64), is used directly. Only pure component properties enter in
to this equation. Parameters r i and q i are calculated as the sum of the group
R

volume and area parameter, R k and Q k :


R

ri = v k(i ) Rk

And qi =

(i )
k

Qk

(3.68)

where v k(i ) ,always an integer, is the number of group of type k in molecule i.


Group parameters R k and Q k are obtained from the Van der Waals group
R

volume and surface areas V wk and A wk :


R

Awk
Vwk
Q
=
Rk =
k
And
2.5 10 9
15.17

(3.69)

The normalization factors 15.17 and 2.5 109 are those given by Abrams and
P

Prausnitz[58].

52

CHAPTER THREE: THE THEORY

The residual part of the activity coefficient, Eq.(3.65), is replaced by the


solution-of-groups concept. Instead of Eq.(3.65), we write:

v (ln

ln ir =

(i )
k

ln k( i )

(3.70)

all groups

where k , is the group residual activity coefficient and k (i) is the residual
R

RP

activity coefficient of group k in a reference solution containing only


molecules of type i. in Eq. (3.70)the term ln k (i) is necessary to attain the
R

RP

normalization that activity coefficient i becomes unity as x i


R

1. The activity

coefficient for group k in molecule i depends on the molecule i in which k is


situated.
The group activity coefficient k is found from an expression similar to
R

Eq. (3.70):

m km

ln k = Qk 1 ln m mk m

m
n km

(3.71)

Equation (3.71) also holds for In k (i). In Eq.(3.71), m is the area fraction of
0T

RP

group m, and the sums are over all different groups. m is calculated in a manner
R

similar to that for i :


R

m =

Qm X m
Qn X n

(3.72)

where X m . is the mole fraction of group m in the mixture. The group-interaction


R

parameter mn is given by
R

53

CHAPTER THREE: THE THEORY

U U nn
a
mn = exp mn
= exp mn
RT

(3.73)

where U mn is a measure of the energy of interaction between groups m


R

and n. The group interaction parameters a mn (two parameter per binary mixture
R

of groups) are the parameters which must be evaluated from experimental


phase equilibrium data. Note that a mn has units of kelvins and a mn a nm.
R

3.6 Calculations with Mixing Rules Based on GE


P

Models.
The principal difficulty is that in complex systems, especially for
those with some polar and some nonpolar components, the composition
dependence of the fugacity is more complex than that given by simple mixing
rules. Activity-coefficient models are much more able to describe the
experimental behavior. When properly formulated, this procedure can give
the quadratic composition dependence of the second virial coefficient.
An important advance in the description of phase equilibria is to combine the
strengths of both EOS and activity coefficient approaches by forcing the mixing
rule of an EOS to behave with composition dependence like the GE model.
P

These are called GE mixing rules and generally include the direct use of activity
P

coefficient parameters fitted to VLE data [6].


3.6.1

Wong-Sandler mixing rules


Although the traditional Van der Waals mixing rules fail to model the

excess Gibbs energy over a wide range of pressures, their quadratic dependence
on compositions leads to a quadratic dependence of the second virial coefficient
on composition for mixtures, which is stipulated by statistical mechanics. Wong
and Sandler, in 1992 [67] derived a general form of mixing rules first by
combining the quadratic dependence of the second virial coefficient on

54

CHAPTER THREE: THE THEORY

composition and the relation between the virial coefficient and the parameters in
a cubic EOS. The second equation in their mixing rules was derived by taking
the limit of the excess Helmholtz free energy for a cubic EOS mixture at infinite
pressure. The resultant mixing rules are pressure independent and satisfy the
quadratic requirement:
n

bV =

y y (b a / RT )
i =1 j =1

ij

1 n
aii G EV

yi
1
+
RT i=1 bi
C
n

b =

(3.74)

x x (b a / RT )
i =1 j =1

ij

1 n aii G EL

xi
1
+
RT i=1 bi
C

For multicomponent form the aV and aL are:


P

EV

G
aii
V
V
+ yi
a = b
bi
i
C

(3.75)

G EL
aii

a =b
+ xi
bi
i
C
L

where GEV is that excess Gibbs energy at the vapor composition and GEL is that
P

at liquid composition and C is constant.


The cross parameter of Eq. (3.74) is:

(b a / RT )12 = 1 (b1 + b2 )
2

1
(a11 a 22 )1 / 2 (1 k12 )
RT

The cross parameter for multicomponent of Eq. (3.77) is:

55

(3.76)

CHAPTER THREE: THE THEORY

(b a / RT )ij

1
(bi + b j ) 1 (aii a jj )1 / 2 (1 k ij )
2
RT

(3.77)

For obtaining a value of the parameter k ij , we choose to match the GE model by


R

minimizing the objective function F,

F =
data

E
a EoS
G EL

RT
RT

(3.78)

The molar excess Helmholtz energy from the EOS aE Eos is:
P

PR

a
a
aL
= L x1 11 x 2 22
b1
b2
b

E
EoS

(3.79)

For multicomponent the molar excess Helmholtz energy from the EOS aE Eos is:
P

n
a
aL
= L xi ii
bi
b
i =1

E
EoS

1
L
na

n 2 a L

n1

(3.80)

nb L
P(V L b L ) 1
L
ln = ln
+ L Z 1
RT
b
n1
L
i

PR

1 nb L

L
T ,n2 b n1

aL

+
L
T ,n2 2 2b RT

(
(

)
)

(3.81)

V L + 1 2 bL
ln L
L
T ,n2 V + 1 + 2 b

Here all properties are those of the liquid phase ; Z L = PV L / RT is the


compressibility factor.The partial derivatives of aL and bL are
P

1 n 2 a L

n n1
nb L

n1

L nb

= RTD
n1
T , n2

=
L
T , n2 1 D

1 n 2 Q L

n n1

L nD
+ RTb
n1

Q L nD L

1
L
1 D n1

(3.82)

(3.83)

QL,DL, and their derivatives are


P

Q = xi x j (b a / RT )ij
L

(3.84)

i =1 j =1

56

CHAPTER THREE: THE THEORY


n
1 GE
a
+ xi i
D =
C RT i 1 RTbi
L

1 n 2 Q L

n n1

nD L

n1

(3.85)

= 2 x 2 (b a / RT )12 + 2 x1 (b a / RT )11
T , n2

a1
1 nG E

=
+
RTb
CRT
1
n1
T , n2

3.6.2

T , n2

(3.86)

(3.87)

Peng-Robinson-Stryjek-Vera Equation of state (PRSVEOS)


The Peng-Robinson Stryjek-Vera (PRSV) [68] equation of state is a

modification of the PR equation of state that extends the application of the


original PR method for moderately non-ideal systems. It has been shown to
match vapor pressures curves of pure components and mixtures more accurately
than the PR method, especially at low vapor pressures.
The modifications to the PR equation of state by Stryjek and Vera was an
expanded alpha, , term that became a function of a centricity and an
empirical parameter, K, is used for fitting pure component vapor pressures.

= 1 + K 1 Tr

)]

(3.88)

)(

K = K + K 1 1 Tr 0.7 Tr

(3.89)

K = 0.378893 + 1.4897 0.17138 2 + 0.019655 3

(3.90)

where:
K 1 =characteristic pure component parameter
R

The PRSV equation of state can handle the same systems as the PR
equation with equivalent, or better accuracy, plus it is more suitable for handling
moderately non ideal systems.
The advantage of the PRSV equation is that not only it does have the
potential to more accurately predict the phase behavior of hydrocarbon systems,
particularly for systems composed of dissimilar components, but it can also be

57

CHAPTER THREE: THE THEORY

extended to handle non-ideal systems with accuracies that rival traditional


activity coefficient models. The only compromise is increased computational
time and the additional interaction parameter that is required for the equation.

3.6.3

Using NRTL Expression

The excess Gibbs energy for binary systems is:

21G21
GE
12G12
= x1 x2
+

RT
x
x
G
x
x
G
+
+
2
1 12
1 2 21

(3.48)

The excess Gibbs energy for multicomponent systems is:


n

GE
=
RT

x
i =1

j =1
n

Gij x j

G
k =1

3.6.4

ij

ki

(3.51)

xk

Using UNIQUAC Expression

The excess Gibbs energy for binary systems is:


G E = G E (combinatorial ) + G E (residual )

(3.91)

G E (combinatorial )
z
= x1 ln 1 + x 2 ln 2 + q1 x1 ln 1 + q 2 x 2 ln 2
RT
x1
x2 2
1
2

G E (residual )
= q1 x1 ln 1' + 2' 21 q2 x2 ln 2' + 1' 12
RT

(3.92)

-the excess Gibbs energy for multicomponent systems is:


n
n

i z n
i n
GE
= xi ln + qi xi ln qi xi ln j ji
i i=1
RT i 1
xi 2 i =1
i =1

58

(3.63)

CHAPTER THREE: THE THEORY

u ij

RT

(3.60)

z
(ri qi ) (ri 1)
2

(3.62)

ij = exp
li =

ii = jj = 1

i =

xi ri
,

x j rj

And

z=10

i =

xi q i
n

xjq j

(3.66)

=
'
i

x q
j =1

j =1

j =1

xi qi'
j

(3.67)

'
j

3.7 Phase Equilibrium Calculations (K-Values)


The basic conditions for equilibrium between vapor and liquid phases in a
system of n components, which are required, in addition to equality of
temperature and pressure, are:
L

fi

fi

(i = 1, 2, n)

(3.4)

This is a set of n (usually non-linear) simultaneous equations, which must


be solved to obtain the solution of the phase equilibrium problem.
L

fi L
i =
xi P
(3.6)
V

f iV
i =
yi P
i L and i V are liquid and vapor fugacity coefficients.
R

RP

RP

In terms of fugacity coefficient, these equations become

xi i = y i i

(i = 1, 2, n)

59

(3.93)

CHAPTER THREE: THE THEORY

We have an equation of state from which we may calculate the fugacity


coefficients of all components in both phases.
In cases where it is preferable to obtain the fugacity of components in the
liquid phase from an activity coefficient model, we write Eq.(3.4) as

xi i is Pi s i = y i Vi P

(3.94)

The state of the vapor and liquid phases in contact at a given temperature
and pressure may be conveniently specified by the vaporization equilibrium
ratio K i = y x i . When the two phases are in thermodynamic equilibrium, K i is
i
R

given by

K i = Vi
i

(3.95)

Or, in term of an activity coefficient model instead of i L, by


R

Ki =

RP

i is Pi s i
Vi P

(3.96)

The concept of ideality in vapor and liquid mixtures is often useful as a


means of obtaining an initial approximation to the solution of VLE problem. For
an ideal vapor mixture, all fugacity coefficients are unity, while for an ideal
liquid mixture, all activity coefficients and poynting

factors are unity.

Eq.(3.94)then reduces to Raoult`s law.


P

y i P = xi Pi s

(3.97)

Consequently, the total pressure in an isothermal ideal vapor-liquid


system is a linear function of the mole fractions in the liquid phase;
alternatively, the inverse of the total pressure is a linear function of the mole
fraction in vapor phase .

60

CHAPTER THREE: THE THEORY

K i characterizes the distribution of component i between vapor and liquid


R

phases in equilibrium. The vapor is enriched with component i if K i > 1 and is


R

impoverished with component i for K i < 1 compared to the liquid.


R

3.8 Modification of Mixing and Combining Rules


In general, an equation of state is developed first for pure substance, then
extended to mixture through the use of mixing rules for combining the pure
component parameters. Most of the simple equation of state is evolved from the
Van der Waals mixing rules with or without modifications.
Proper mixing rules (that is, expression which connect the mixture
parameters to pure component parameters and mixture composition) must be
stated. Parameters that were functions at most of temperature, are functions of
temperature and composition.
The composition dependence of EOS is given only by that of a and b. The
functions performing this are called mixing and/or combining rules. The term
combining rule can be applied to the expression giving the property starting
from the same property as the pure components, and mixing rule to that giving
a property as a function of all the possible combinations of the properties for all
the binaries contained in the mixture. The algebraic form of the function is:

a=

x x a
i

(3.98)

j ij

a ij = 1 k ij a i a j

(3.99)

The first equation (3.98) is the mixing rule, the second equation (3.99) the
combining rule, namely the geometric mean between the interactions of the pure
components corrected by a coefficient k ij .
R

61

CHAPTER THREE: THE THEORY

Two types of cubic equations of state are used to calculate properties of


VLE of mixtures. These equations are Soave-Redlich-Kwong (SRK) equation,
and Peng-Robinson (PR) equation.
Many modification/improvements on the Van der Waals-type equations
of state appear in the literature. These modifications incorporate new parameters
to the equation and/or modify the classical mixing rules. Most of the mixing
rules proposed are either empirical, or they depend on local composition
concepts. Most of these modifications keep the repulsive term mixing rule and
concentrate on modifying the mixing rules for the attractive term.
Each of the above equations is applied to various types of chemical
compounds, for both equations of state, if the deviations are relatively too large
to be suitable as recommended methods. Then those deviations of the results are
certainly due to the poor mixing rules of the equations of state used. In order to
improve the accuracy of VLE results, mixing rules have to be modified by
introducing one or more adjustable parameters. Many approaches found in the
literature are tried to decrease the deviation from experimental results, some of
these are given below.

3.8.1

First Correlation Approach Method


The oldest method used to improve the results obtained from using EOS

due to using poor mixing rules is to use conventional mixing rules with an
adjustable or interaction parameter (k ij ) which is introduced in the attraction
R

term of an EOS. The method used for determining k ij is minimizing the


R

objective function (OF) such as:

OF = [ P lit. P cal. P lit.]


i

(3.100)

62

CHAPTER THREE: THE THEORY

where k ij value gives the least bubble point pressure deviation from
R

experimental value. The k ij value is introduced in the attraction term A


R

parameter of an EOS described by Eq. (3.10), which is

A=

x x
i

j 1 k ij

(3.10)

Ai A j

This introduction of an adjustable parameter improves the EOS mixing


rules that can be extended to systems containing slightly polar compounds and
consequently reduces bubble point errors.

3.8.2

Second Correlation Approach Method


In this approach method Georges et al. [65] mixing rules are used, which

have the form

a ij = a ij 1 k ij + k ij k ji x i
O

a ij = (a i i)(a j j )
O

(3.101)

A=

x x a
i

ij

(3.102)

With the following temperature dependency model:

ln

= m 1
+ 1
T n

Tc

(3.103)

Where two binary parameters are used (k ij and k ji ) as well as two empirical
R

factors (m and n) for each pure component.


Here binary adjustable parameters are introduced in the PR-EOS
attraction term mixing rule. If Eqs. (3.101 and 3.102) are used, the fugacity
coefficient is obtained as:

ln i =

B i ( ) ( ) + A B i Z + 2.414B (3.104)
a ln
Z 1 ln Z B
2.828B B i Z 0.414B
B
63

CHAPTER THREE: THE THEORY

where

ai =

x (a
k

ki a ik

x x
2

k kj k jk a kj + xi

x (k
k

ik k ki

)(3.105)

The results are further improved over the first approach method where the
interaction parameter is a function of composition.
Panagiolopoulos and Reid [65] proposed an empirical modification by
introducing a second interaction parameter for each binary:

a ij = 1 k aij + k aij k a ji xi a ij
O

(3.106)

Apparently, both a ij and a ji of the mixture contribute to parameter a


R

symmetrically. This method was successfully applied to the polar and


asymmetric systems. If the molecular sizes are widely different in the systems,
the binary interaction parameter for the cross covolume is important, they
suggested a new expression for b ij :
R

13
13

bi + b j

bij = 1 k bij + k bij k b ji x i

(3.107)

When Eq. (3.107) is employed, the fugacity coefficient of a component in


a mixture becomes:

B
ln i = i (Z 1) ln (Z B ) A 2
2.828B a
b

(3.108)
B
x j aij i ln Z + 2.414B
b
Z 0.414B

where

64

CHAPTER THREE: THE THEORY


3
n
13+ 13

b
b

j
k
x j bij + b ji
Bi =
x j xk k b k b

jk
kj

j =1
j =1 k =1

3
n
13+ 13
bi b j

+ xi x j k bij k b ji
b
2
j =1

(3.109)

Soave in his later research work modified the mixing rules in order to
improve its accuracy and allows reproducing accurately phase equilibria of polar
and apolar systems. The expression proposed [52] is:

(T ) = 1+ m (1 T ) + n 1 1
T

(3.110)

where m, and n are empirical constants determined by regression to fit


experimental VLE data.

b=

x x b
i

(3.111)

ij

where

bii = bi

and

bij = b ji = 1 hij

b jj = b j

(3.112)

(bi + b )
j

(3.113)

3.9 Equation of State Roots


Cubic equation of state when solved with respect to volume they gives
rise to a cubic polynomial. To find the molar volume for a given temperature
and pressure, the roots of the equation must be found. In the two-phase region,
three real roots exist. A portion of an isotherm is shown in Figure 3.2. The liquid
root is the smallest of the three; the vapor root is the largest. A non-physical root
exists between the other two. This non-physical root is often quite close in
numerical value to the liquid root.

65

CHAPTER THREE: THE THEORY

Figure 3.2 the roots of equation of state.


The key to getting the right root is the initial guess. Mathcad or Excel can
be used to solve for the desired root without supplying an initial guess. If we use
another Root-finding algorithm often use a Newton-Raphson technique which
finds the derivative of the equation at the initial guess and uses that slope to
linearly extrapolate to where the value of the function f (v) would be equal to
zero. This is graphically illustrated in the figure above. The important point to
understand from this is that if the guessed value for the liquid root is above the
first minimum shown in the figure, then the slope will be positive and the
algorithm will converge on the middle root rather than on the desired liquid root.
Good initial guesses must be made if a vapor root is desired, starting with
a value larger than the vapor root. Actually, the vapor guess does not need to be
very accurate because the second hump on the curve above is so broad. It is
always desirable to choose the ideal gas molar volume as the initial guess for the
vapor root. Thus, v guess = RT/P for the gas root. For the liquid root, a
R

compressibility factor of about 0.001 or smaller is generally chosen. The


compressibility factor is defined as z = Pv/(RT), so a convenient initial guess
would be v = 0.001RT/P.

66

CHAPTER THREE: THE THEORY

3.10

Parameter Estimation

The estimation of parameters in theoretical and semi-empirical


mathematical models from experimental data is an important requirement in
many fields of science and engineering. Such models offer useful means of
summarizing large amounts of data, allow for interpolation of data and
extensions beyond regions in which measurements have been made, and provide
insight into fundamental physical or chemical phenomena. Most of the models
are nonlinear in their adjustable parameters. The best estimates of these
parameters can be obtained from formalized method, which correctly treats the
statistical behavior of the errors associated with all experimental observations.
It is usually assumed that there are two types of measurement errors:
systematic and random. The former are due to an inherent bias in the
measurement procedure resulting in a consistent deviation of the observable
from its true value. Usually, an experimenters skill and experience provide the
only means of consistently detecting and avoiding systematic errors. Random or
statistical errors are assumed to be the result of a large number of small
disturbances. Such errors have been found to be distributed according to simple
laws that make it possible to treat them with statistical methods [50].

3.10.1 Maximum-Likelihood Principle


In the maximum-likelihood analysis, it is assumed that all measured data
are subject to random errors. If each experiment were replicated, the average
value for each replicated experimental point would approach some true value.
Usually the distribution of a measured variable about its true value is
approximated by the normal distribution, characterized by an associated
variance. The variances are ideally obtained from replicated experiments, but
they may be estimated from experience associated with a particular type of
experimental apparatus. It is customary to assume that the random errors in
different experiments are uncorrelated.
67

CHAPTER THREE: THE THEORY

For each experiment, the true values of the measured variables are related
by one or more constraints. Because the number of data points exceeds the
number of parameters to be estimated, all constraint equations are not exactly
satisfied for all experimental measurements. Exact agreement between theory
and experiment is not achieved due to random and systematic errors in the data
and to lack of fit of the model to the data. Optimum parameters and true
values corresponding to the experimental measurements must be found by
satisfaction of an appropriate statistical criterion.
If this criterion is based on the maximum-likelihood principle, it leads to
those parameter values that make the experimental observations appear most
likely when taken as a whole. The likelihood function is defined as the joint
probability of the observed values of the variables for any set of true values of
the variables, model parameters, and error variances. The best estimates of the
model parameters and of the true values of the measured variables are those
which maximize this likelihood function with a normal distribution assumed for
the experimental errors. The agreement between theory and experiment is
illustrated schematically in Figure 3.3.
The parameter estimation algorithm based on the maximum likelihood
principle, converges rapidly for almost any initial estimates of the parameters.
The rapid convergence is due in part to the similarity to Gauss-Newton iteration
method and in part to the successful application of a step-limiting procedure that
assures superior convergence behavior [59].

68

CHAPTER THREE: THE THEORY

Figure 3.3 Schematic diagram illustrating the goodness of fit of the


Litereature data to the model.

For binary vapor-liquid equilibrium measurements, the parameters sought


are those that minimize the objective function:

2
2
O
e
O e
M
T i T i
Pi Pi

=
+
+

2
2

P
T
i =1

O
x xe
1
1
i
i

x1
2

2
e
y1
i (3.114)

y1

O
y
1
i

This objective function is subject to the two equilibrium constraints given


by equation (3.4) for each component. The summation is over all M data points
(P, T, x, y). Superscript e designates a measured value and superscript O
designates the estimated true value corresponding to each measured point. In
equation (3.114), 2 is the estimated variance of each of the measured variables,
P

i.e. pressure, temperature, liquid-phase and vapor-phase mole fractions. The


important feature is that all experimental data are used. The true value of each
measured variable is also found in the course of parameter estimation. The
algorithm employed in the estimation process linearizes the constraint equations
at each iterative step at current estimates of the true values for the variables and

69

CHAPTER THREE: THE THEORY

parameters. This reduces the calculation at each step to solution of a set of linear
equations.

3.10.2 Effects of Estimated Variances


The need for good estimates of the variances of the measurements cannot
be overemphasized. Unfortunately, these can be accurately estimated only by
completely replicated experiments. One of the limitations of most phase
equilibrium data is that variances of experimental measurements are seldom
known. Fortunately, however, the technique used here does not depend on the
true magnitude of the variances, but on the estimated values of the variances.

3.10.3 Systematic Error


If there is sufficient flexibility in the choice of model and if the number of
parameters is large, it is possible to fit data to within the experimental
uncertainties of the measurements. If such a fit is not obtained, there is either a
shortcoming of the model, greater random measurement errors than expected, or
some systematic error in the measurements. At low pressure, it is often
permissible to neglect nonidealities of the vapor phase. If these nonidealities are
not negligible, they can have the effect of introducing a nonrandom trend into
the plotted residuals similar to that introduced by systematic error. Experience
here has shown that application of vapor-liquid corrections for nonidealities
gives a better representation of the data by the model, even when these
corrections must be estimated [4].

3.11

Thermodynamic Consistency Test

Experimental vapor-liquid equilibrium data consist of pressure,


temperature, and composition of both phases, the extra experimental information
may be used to test the data for thermodynamic consistency. The outcome of the

70

CHAPTER THREE: THE THEORY

thermodynamic consistency test may be heavily dependent on the reliability of


the determination of the liquid and vapor phase thermodynamic properties.
McDermott and Ellis [66] proposed two-point consistency test that
examines experimental results in pairs. This method simplifies the locating of
random errors and enables the results to be tested for consistency as determined.
The method starts with the isothermal-isobaric Gibbs-Duhem equation in the
form:

x d (log ) = 0
N

i =1

(3.115)

Integrating equation (3.115) directly round a loop of points a, b, c, y, z by the


trapezoidal rule gives:

xia + xib

2
i =1

[log ib log ia]+ xib 2+ xic [log ic log ib]+ ... + xiy 2+ xiz log iz log iy = 0

(3.116)

Simplifying equation (3.116) gives:

iz
ib
ic

+ x ib log
+ ... + x iz log

x ia log

iy
i =1
ia
ib

=0

(3.117)

Comparison of equation (3.116) and (3.117) shows that, although their


left hand sides evaluate the same quantity, the individual terms in equation
(3.116) give a direct comparison of each point with its neighbor, where those in
equation (3.117) are of no particular significance. The form of equation (3.116)
thus offers a basis for the two-point consistency test. Knowledge of each term in

71

CHAPTER THREE: THE THEORY

the loop, as each term is the deviation of the pair of points with which it is
concerned. Should a particular point be common to several pairs and if it gives
large deviations, then it may be concluded to be inconsistent.
Ignoring the factor of and reducing equation (3.116) to any pair of
points, c and d say, give

(x
N

0=

i =1

ic + x id

)(log id log ic )

(3.118)

The deviation, Dcd, defined as the right-hand side of equation (3.118) is


directly related to the errors in activity coefficients of the points concerned. If
the accuracy of measurement of vapor and liquid mole fractions is within
0.001, it has been calculated that the deviation could be 0.01. The activity
coefficients were calculated from the equation:

i=

yi P
xi pi

(3.119)

It has been shown that the use of ideal activity coefficients, equation
(3.119) does not affect the results of the two point consistency test, equation
(3.118), because the log activity coefficient ratios are independent of any
deviations of the vapor phase from the ideal gas and solution laws. As the multipoint consistency test, equation (3.116) examines results in pairs, this means that
results can be tested for consistency as they are experimentally determined. This
is considered to be one of the advantages for this consistency test.

72

Chapter FOUR: Results and Discussion

CHAPTER FOUR

RESULTS AND DISCUSSION


The calculation of vapor-liquid equilibria is important because of the
difficulty of obtaining experimental values and because it gives a picture of the
general behavior of liquid-vapor mixtures. The applicability and limitations of
vapor-liquid equilibrium prediction by means of equations of state for different
mixing rules and activity coefficient models has been studied.

4.1

System Selection

4.1.1 Binary Systems : Three binary systems are used in this study.
1- binary system(I) consists of Ethanol +2-methyl-2-propanol the literature
data [3] of this system are shown in table below.
Table (4-1) Isobaric vapor liquid equilibrium data of binary system ethanol(1)+ 2-methyl2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x 1 , vapor phase,y 1
R

T/K
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

xt
0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000
P

73

y.
0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000
P

Chapter FOUR: Results and Discussion

2-binary system(II) consists of MTBE + Ethanol the literature data [69] of this
system are shown in table below.
Table (4-2) Isobaric vapor liquid equilibrium data of binary system MTBE (1) + ethanol
(2) at 101.3KPa. Temperature,T, liquid phase x 1 , vapor phase,y 1
R

T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
328.14

x.
0.0000
0.0752
0.1558
0.2145
0.2437
0.2837
0.3699
0.4299
0.4967
0.6051
0.7011
0.7250
0.7620
0.7739
0.8117
0.8385
0.8875
0.9262
0.9341
0.9695
1.0000
P

y1.
0.0000
0.2673
0.4363
0.5204
0.5516
0.5875
0.6498
0.6879
0.7200
0.7537
0.8075
0.8186
0.8339
0.8409
0.8584
0.8745
0.9034
0.9317
0.9374
0.9683
1.0000
R

RP

3- binary system(III) consists of MTBE + Octane the literature data [69] of this
system are shown in table below.
Table (4-3) Isobaric vapor liquid equilibrium data when of binary system MTBE (1) +
Octane (2) at 101.3KPa. Temperature,T, liquid phase x 1 , vapor phase,y 1
R

T/K

x1

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

RP

74

y1
R

.
RP

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

Chapter FOUR: Results and Discussion

4.1.2 Ternary Systems : Three ternary systems are used in this study.
1- ternary system(I) consists of MTBE +Ethanol +2-methyl-2-propanol the
literature data [3] of this system are shown in table below.

Table (4-4) Isobaric vapor liquid equilibrium data of ternary system MTBE (1) +Ethanol
(2) +2-Methyl-2-propanol (3) at 101.3KPa. Temperature,T, liquid phase x i , vapor phase,y i
R

T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56

x1.
0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
R

x2.
0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689

RP

75

RP

y1.
0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
R

RP

y2.
0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
R

RP

Chapter FOUR: Results and Discussion

T/K
346.24
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

x1.
0.132
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467
R

x2.
0.361
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

RP

76

RP

y1.
0.371
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725
R

RP

y2.
0.294
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184
R

RP

Chapter FOUR: Results and Discussion

2- ternary system(II) consists of Ethanol + 2-methyl-2-propanol + Octane the


literature data [3] of this system are shown in table below.
Table (4-5) Isobaric vapor liquid equilibrium data of ternary system Ethanol (1) +2-Methyl2-propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase x i , vapor phase,y i
R

T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08
353.89
354.76
354.75
354.5
354.49

x1.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160
0.257
0.259
0.270
0.274
0.276
R

RP

x2.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460
0.099
0.499
0.319
0.598
0.564
R

RP

77

y1.
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283
0.669
0.360
0.472
0.329
0.345
R

RP

y2.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543
0.128
0.494
0.346
0.567
0.537
R

RP

Chapter FOUR: Results and Discussion

T/K
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

x1.
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516
R

RP

x2.
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439
R

RP

y1.
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557
R

RP

y2.
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384
R

RP

3- ternary system(III) consists of MTBE + Ethanol + Octane the literature


data [69] of this system are shown in table below.
Table (4-6) Isobaric vapor liquid equilibrium data of ternary system MTBE (1) +Ethanol
(2) + Octane (3) at 101.3KPa. Temperature,T, liquid phase x i , vapor phase,y i
R

T/K

x1.

x2.

y1.

y2.

347.81
348.49
348.16
350.94
347.49
347.82
347.49

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597

RP

RP

78

RP

RP

Chapter FOUR: Results and Discussion


T/K

x1.

x2.

y1.

y2.

349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05

0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038

0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378

0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103

0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837

RP

RP

79

RP

RP

Chapter FOUR: Results and Discussion


T/K

x1.

x2.

y1.

y2.

340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

RP

RP

80

RP

RP

Chapter FOUR: Results and Discussion

4.2 Thermodynamic Consistency Test


One of the greatest arguments in favor of obtaining redundant data is the
ability to assess the validity of the data by means of a thermodynamic
consistency test. The consistency of the experimental data was examined to
provide information on the thermodynamic plausibility or inconsistency and to
recognize any deviations of the measured values [66].
According to McDermott-Ellis test method, two experimental points a
and b are thermodynamically consistent if the following condition is fulfilled:

D < D max
R

(4.1)

The local deviation D is given by

(x
N

D=

i =1

ia + x ib

)(ln ib ln ia )

(4.2)

In this method, it is recommended using of a fixed value of 0.01 for D max


R

if the accuracy in the measurement of the vapor and the liquid mole fraction is
within 0.001. The local maximum deviation, D max , due to experimental errors, is
R

not constant, and is given by


1

x ia + x ib +
x ia
i =1

(
N

Dmax =

+2

i =1

1 1 1
+
+
y
y ia x ib y ib

ln ib ln ia x +

P
(
)
+
x
x
ia ib
N

i =1

1 + 1 t
(
)
+
x
x
ia ib
N

i =1

ta

(4.3)

tb

81

Chapter FOUR: Results and Discussion

Table 4.7 Results of Thermodynamic Consistency Test.

D max

0.0271

0.029

Thermodynamic
Consistency
Test
Pass

MTBE +Ethanol

0.0241

0.025

Pass

MTBE + Octane

0.0159

0.020

Pass

MTBE+Ethanol+2-methyl-2-propanol

0.0316

0.035

Pass

Ethanol+2-methyl-2-propanol+Octane

0.0242

0.026

Pass

MTBE+Ethanol+Octane

0.0197

0.021

Pass

System

Ternary
systems

Binary
systems

Ethanol + 2-methyl-2-propanol

The conclusion can be drawn that all the data are thermodynamically consistenty

4.3 Statistical Measurement and Analysis of Dispersion


To know the applicability and accuracy of any proposed correlation it is
very important to know how this correlation fits the experimental data which is
done by comparing the obtained results from the proposed correlation with the
experimental data.
The various measurement of dispersion or variation are available, the
most common being the Mean Overall Deviation and Average Absolute
Deviation.
The Mean Overall Deviation mean D % is a more tangible element indicating
the overall goodness of the fit of the data by the correlation and it reads:
n

mean D % =

i =1

exp .

Mi

calcd

Mi
obsd

100

Mi
n

Average Absolute Deviation AAD


82

(4.4)

Chapter FOUR: Results and Discussion

AAD =

exp .

i =1

calcd

Mi

(4.5)

where M is an intensive property and n is the number of data point.


These equations are used to calculate Mean Overall Deviation mean
D% and Average Absolute Deviation AAD of literature results of binary and
ternary systems.

4.4 Improvement of Equation of State


The almost infinite number of possible mixtures and wide range of
temperature and pressure encountered in process engineering are such that no
single thermodynamic model is ever likely to be applicable in all cases.
Consequently, knowledge and judgment are required to select the most
appropriate methods by which to estimate the conditions under which two
phases will be in equilibrium.
An appropriate equation of state provides a thermodynamically consistent
route to the fugacity coefficient of components in both vapor and liquid phases
and thus offers a very convenient basis for phase equilibrium calculations.
Unfortunately, the simple cubic equations are applicable to mixtures of
molecules without strong specific interactions and they generally fail to give
reliable results for the liquid phase of associating or polar mixtures. Numerous
modifications have been developed for improving the accuracy over a boarder
range of temperature and pressure. In principle, all of them define the
coefficients a and b as functions of temperature and of one or more
characteristic parameters and thus facilitate fitting to experimental data.
The first method was rigorously tested using two various mixing rules for
vapor-liquid equilibria calculation. The first mixing rules tested are illustrated in
83

Chapter FOUR: Results and Discussion

section 3.8.2 for the PR equation of state, which have the form in equations
[(3.102), (3.103), (3.106), (3.107), (3.108) and (3.109)]
Where m and n are two empirical factors for each pure component, its
values are given in table C-1 in Appendix C in CD.
The second mixing rules tested are illustrated in section 3.8.2 for the SRK
equation of state, which has the form in equations [(3.110), (3.111), (3.112) and
(3.113)]
where m, and n are empirical constants for each pure component, its
values are given in Table C-1 in Appendix C in CD.
A list of optimized interaction parameters for PR-EOS and SRK-EOS for
binary systems is shown in Table C-2 and for ternary systems shown in Table
C-3 in Appendix C in CD.
The second method test is illustrated in section 3.3 the results are obtained
for properties of vapor liquid eqilibriua when fugacity of the component in the
liquid phase is estimated from an activity coefficient mode.
The NRTL model is illustrated in section 3.5.1, which has the form in
equations [(3.51), (3.52) and (3.53)].
The activity coefficients are correlated with the non random two liquid
(NRTL) equation using the term as either a fitting parameter or affixed value.
In the case of the systems containing an alcohol with a hydrocarbon or an ether,
it was acceptable to correlate using the fixed value of 0.47 as the term.
The parameters in the equation were obtained by using maximum-likelihood
principle method. The sum of squares of relative deviations in the activity
coefficients was minimized during optimization of the parameters.
The NRTL parameters, g ij and ij for the binary systems are shown in Table
R

C-4 in Appendix C in CD. The NRTL parameters, g ij and ij for the ternary
R

systems are shown in Table C-5 in Appendix C in CD.


The UNIQUAC model illustrated in section 3.5.2 which has the form in
equations [(3.60) and (363)].
84

Chapter FOUR: Results and Discussion

The UNIQUAC parameter u ij for the binary systems is shown in Table C-6 in
R

Appendix C in CD. The UNIQUAC parameter u ij for the ternary systems is


R

shown in Table C-7 in Appendix C in CD.


For the UNIFAC model is illustrated in section 3.5.3.1 which has the form in
equations [(3.71), (3.72) and (3.73)].
The constants R k and Q k are shown in Table C-8 and a mn is shown in Table
R

C-9 in Appendix C in CD.


The third method for the vapor liquid equilibrium calculations with the mixing
rules based on GE models is illustrated in section (3.6) which has the form in
P

equations [(3.74), (3.75) and (3.76)].


where the constants C and k ij for binary system are shown in Table C-10 and
R

for ternary systems are shown in Table C-11 in Appendix C in CD.

4.5 Computer Implementation


A computer program was designed and developed by using Mathcad,
Matlab and basic software for the purpose of this work. The basic design
structure involves modularized procedures or subroutines to facilitate testing and
development. The whole structure of the computer program was subjected to
numerous tests and debugging procedures, and was only completed after
undergoing many developments to optimize calculation procedures.
4.5.1 Estimation of Equilibrium Constant
The literature K-value calculation was the first stage in developing the
program. It was then extended to comprise further calculation procedure, such as
the optimization of interaction coefficient employed in the K-value procedures
and obtaining the roots of the equation of compressibility factor z analytically
without iteration procedure. The program began treating binary systems, then it
was extended to ternary systems. The flow chart of computer program is
illustrated schematically in Figures 4.1.a and 4.1.b for EOS models and the flow
chart of computer program is illustrated schematically in Figures 4.2.a and 4.2.b
85

Chapter FOUR: Results and Discussion

for activity coefficient models . The objective of the calculation is to determine


K-value for binary and ternary systems. The developed equations of state and
their mixing rules were included in the computer program in order to perform all
calculations and to compare their results.
The calculation of vapor and liquid fugacity coefficients of each
component in binary and ternary systems has been implemented by a set of
computer programs for each of the method in the form of subroutines using
Mathcad, Matlab and basic software. They have been developed to achieve the
greatest degree of computation efficiency that is consistent with the complexity
of the mathematical models employed. With the advent of computer programs, it
is no longer necessary to make drastic simplifying assumptions to reduce the
calculations to manageable proportions; the ideal mixture assumption can
sometimes lead to serious error. The full descriptions of program are shown in
Appendix D.
4.5.2 Solution of Cubic Equation of State
The requirement in applying any equation of state to the calculation of
VLE K-value is to solve the equation for the compressibility factor z at a given
temperature, pressure, and composition. The time consuming iterative
procedures required by equation of state for calculating the roots of
compressibility factor can be avoided by obtaining the roots analytically from
the cubic equation. The procedure is to use Matrix technique method without
iteration procedure (trial and error method). The procedure is illustrated in
Appendix D.

86

Chapter FOUR: Results and Discussion

Given T, P, x and y

Define Pure Component Data


TC, PC and

Select EOS Model

Compressibility Factor Calculation


Finding the Roots

Interaction Coefficients Optimization


Figure 4.1.a Flow chart of the computer program of EOS for
Interaction coefficients optimization
Given T, P, x and y

Select activity coefficient


model

Interaction Coefficients
Optimization
Figure 4.2.a Flow chart of the computer program of activity coefficient models
for Interaction coefficients optimization

87

Chapter FOUR: Results and Discussion

Given T & P
Define pure component data
Tio, Tc Pc and

Select EOS model

Define Optimized Interaction Coefficients

Estimation xi for first iteration

T=

x T
i

&

=1

Set yi = xi

Compressibility factor calculation finding the roots

K-Value Calculation

i , i

EOS model

Calculate xi and yi
=1 &

y = K
i

Normalized xi and yi

x = K

xi

yi

=1

No

If

x = y
i

=1

Yes
Output xi , yi and Ki

Figure 4.1.b Flow chart of computer


program for estimation of vapor and
liquid phases composition and
equilibrium constant K-values from
EOS model.

88

Chapter FOUR: Results and Discussion

Given T & P
Define pure component data
Tio, Tc Pc and

Select activity Coefficient model


Select EOS model
Define Optimized Interaction Coefficients

Estimation xi for first iteration


O &
=
=1

x T
i

Set yi = xi

Compressibility factor calculation finding the roots

K-Value Calculation
i , i activity coefficient model
L

Calculate xi and yi
=1 &

y = K
i

Normalized xi and yi

x = K

xi

yi

=1

No

If

x = y =1
i

Figure 4.2.b Flow chart of computer


program for estimation of vapor and
liquid phases composition and
equilibrium constant K-values from
activity coefficient model and EOS
model

Yes
Output xi , yi and Ki

89

Chapter FOUR: Results and Discussion

4.5.3 Interaction Coefficient


Computational problems such as convergence to a trivial or incorrect root,
or to a local rather than global optimum, or failure to converge to a physically
feasible solution at all are not uncommon difficulties in vapor-liquid equilibrium
calculations.
An important development of the program involves the interaction
coefficient calculation. This attempt is not very common, as the majority of
workers feed the value of the interaction coefficient from other sources to their
programs without computing it. In this program the interaction coefficient
values are calculated by using maximum likelihood principle technique. The
optimal interaction parameters are those that minimize the difference between
calculated and literature values of equilibrium related objective function when
all the measured variables are subjected to error.
It is not uncommon for the objective function in nonlinear parameter
estimation problems to have multiple local optima. However, the standard
methods used to solve these problems are local methods that offer no guarantee
that the global optimum, and thus the best set of model parameters, has been
found. Thus, there is a need for global optimization in nonlinear parameter
estimation. When the global optimum is obtained in the parameter estimation
problem the results are much more consistent.
The maximum likelihood principle method provides a mathematical and
computational guarantee of global optimality in parameter estimation that
provides the best fit to measured data. The objective function in nonlinear
parameter estimation problems is given below:

2
c
lit

c
2
2

lit

y
lit
c
c lit
M
N x x
yj
j
T i T i
Pi Pi
j
j

i
i
i
i

+
=
+
+

2
2
2
2

x
y
P
T
i =1
j =1

90

(4.7)

Chapter FOUR: Results and Discussion

Where the superscripts c and lit indicate calculated and literature

values,

respectively, the 2 are the estimated variances of the corresponding variables,


P

and the sum is taken over all M literature

data, and N is the number of

compounds in the mixtures. The standard deviations assumed are:


P = 0.5 mmHg
R

T = 0.1 oC

x = 0.001 mole fraction


R

y = 0.005 mole fraction

The assumed standard deviations had been based on the results of


duplicated analyses of samples, and then this inconsistency could indicate either
systematic error in the data or lack of fit of the model to the data. In this case,
however, they are a priori estimates, and the results of the parameter estimation
procedure serve merely to provide best estimates of the standard deviations.

4.6 Discussion of Results


Ethers and alcohols used as gasoline additives have excellent antiknock
properties and are environmentally acceptable substances. Gasoline blended
with about 7-15 % 2-methoxy-2-methyl propane (MTBE) has been used for
high-performance premium gasoline. On the other hand, recommendations for
gasoline additives include not only pure MTBE but also mixtures with alcohols
for high-octane gasoline.
The activity coefficients i are calculated with the equation
R

Py i = i P i sx i
R

RP

(4.8)

In most cases it is preferable to calculate the activity coefficients by including


fugacity coefficients and the Poynting factor correction. All the required
physical property data are available for MTBE to calculate these terms
accurately. The activity coefficients were therefore calculated on the assumption
of an ideal vapor phase. The vapor pressures of the pure components, P i s, were
R

91

RP

Chapter FOUR: Results and Discussion

obtained using the Antoine equation constants, which are shown in Table C-14
in Appendix C.
4.6.1 BINARY SYSTEMS
The binary vapor liquid equilibrium data for binary system (I) Ethanol(1)
+2-methyl-2-propanol(2) at 101.3 KPa are reported in Tables A-1,A-2,A-3,
A-4, A-5, A-6, A,7, A-8, A-9 and A-10 in Appendix A in CD.
The values of ln i are negative for the whole concentration range. Ethanol
R

+ 2-methyl-2-propanol system is nonazeotropic, which are shown in fig(4.3).


The binary VLE data for binary system (II) MTBE (1) +Ethanol(2) at
101.3KPa are reported in Tables A-11, A-12, A-13, A-14, A-15, A-16, A-17, A18, A-19 and A-20 in Appendix A in CD.
The MTBE + ethanol system forms minimum boiling azeotrope. The azeotrope
data are x1(AZ) =0.955 mole fraction and T(AZ)=327.94 K, which are shown in
fig(4.5).
The binary VLE data for binary system (III) MTBE(1) +Octane(2) at
101.3KPa are reported in Tables A-21, A-22, A-23, A-24, A-25, A-26, A-27, A28, A-29 and A-30 in Appendix A in CD. The system MTBE + Octane dose not
form an azeotrope, which are shown in fig(4.7).
4.6.2 TERNARY SYSTEMS:
The vapor liquid equilibrium data for the ternary system (I) MTBE (1)
+Ethanol (2) + 2-methyl-2-propanol(3) at 101.3KPa are reported in Tables
A-31, A-32, A-33, A-34, A-35, A-36, A-37, A-38, A-39 and A-40 in
Appendix A in CD. This system forms nonazeotropic mixture, which are
shown in fig(4.9).
The VLE data for ternary system (II) of Ethanol(1) + 2-methyl-2-propanol
(2) + Octane (3) at 101.3KPa are reported in Tables A-41, A-42, A-43, A-44,

92

Chapter FOUR: Results and Discussion

A-45, A-46, A-47, A-48, A-49 and A-50 in Appendix A in CD. This system
forms a non azeotropic mixture, which are shown in fig(4.11).
The VLE data for ternary system (III) MTBE (1) + Ethanol (2) + Octane (3)
at 101.3KPa are reported in Tables A-51, A-52, A-53, A-54, A-55, A-56, A-57,
A-58, A-59 and A-60 in Appendix A in CD. The ternary system (III) dose not
form azeotropic mixture, which are shown in fig(4.13).
Tables B-1, B-2, B-3, B-4, B-5, B-6, B-7, B-8, B-9 and B-10 in Appendix B,
show the K-values for the binary systems(I) Ethanol(1) +2-methyl-2propanol(2)at 101.3KPa and for binary system (II) MTBE (1) +Ethanol(2) at
101.3KPa are reported in Tables B-11, B-12, B-13, B-14, B-15, B-16, B-17, B18, B-19 and B-20 in Appendix B in CD. for binary system (III) MTBE(1)
+Octane(2) at 101.3 kPa, the K-values are reported in Tables B-21, B-22, B-23,
B-24, B-25, B-26, B-27, B-28, B-29 and B-30 in Appendix B in CD.
The K-values for ternary system(I) MTBE (1) +Ethanol (2) + 2-methyl-2propanol(3) at 101.3KPa are reported in Tables B-31, B-32, B-33, B-34, B-35,
B-36, B-37, B-38, B-39 and B-40 in Appendix B in CD.

The K-values for ternary system (II) of Ethanol (1) + 2-methyl-2-propanol


(2) + Octane (3) at 101.3KPa are reported in Tables B-41, B-42, B-43, B-44, B45, B-46, B-47, B-48, B-49 and B-50 in Appendix B in CD.
The K-values for ternary system (III) MTBE (1) + Ethanol (2) + Octane (3) at
101.3KPa are reported in Tables B-51, B-52, B-53, B-54, B-55, B-56, B-57, B58, B-59 and B-60 in Appendix B in CD.
In order to test accurately the suitability of the GE method the three ternary
P

systems that have been chosen encompassing compounds of a wide different


molecular weights and mixtures of various types of non ideality (ideal, nearly
ideal, highly not ideal) including polar mixture. The GE method is appreciably
P

good when applied to the most difficult case of polar mixture of highly different
molecular weight.
93

Chapter FOUR: Results and Discussion

Table (4.8) indicates that the SRK equation of state for vapor phase with
UNIFAC model for liquid phase gives values that have an overall average
absolute deviation (AAD) and overall percentage mean deviations for vapor
liquid equilibrium K-values for all three binary systems of 0.1576 and 3.6200
respectively, for 71 data points .On the other hand the PR EOS for vapor phase
with UNIFAC model for liquid phase gives values that have an overall average
absolute deviations (AAD) and overall percentage mean deviations (mean D%)
for VLE K-values for all three binary systems of 0.1179 and 3.1120 respectively
,for 71 data points.

The SRK equation of state for vapor phase with UNIQUAC model for
liquid phase gives values that have an overall average absolute deviation (AAD)
and overall percentage mean deviations for vapor liquid equilibrium K-values
for all three binary systems of 0.0903 and 2.7895 respectively,for 71 data points
.while the PR EOS for vapor phase with UNIQUAC model for liquid phase
gives values that have an overall average absolute deviations (AAD) and overall
percentage mean deviations (mean D%) for VLE K-values for all three binary
systems of 0.0609 and 2.3464 respectively ,for 71 data points.
The SRK equation of state for two phase gives values that have an overall
average absolute deviations (AAD) and overall percentage mean deviations for
VLE K-values for all three binary systems of 0.0426 and 1.9696 respectively,
for 71data points. On the other hand the PR equation of state for two phase gives
values that have an overall average absolute deviations (AAD) and overall
percentage mean deviations for VLE K-values for all three binary systems of
0.0375 and 1.8068 respectively, for 71 data points.
The SRK equation of state for vapor phase with NRTL model for liquid
phase gives values that have an overall average absolute deviation (AAD) and
overall percentage mean deviations for vapor liquid equilibrium K-values for all
three binary systems of 0.0341 and 1.6390 respectively, for 71 data points .while
94

Chapter FOUR: Results and Discussion

the PR EOS for vapor phase with NRTL model for liquid phase gives values that
have an overall average absolute deviations (AAD) and overall percentage mean
deviations (mean D%) for VLE K-values for all three binary systems of 0.0321
and 1.1303 respectively ,for 71 data points.
The Wong- Sandler mixing rules and the PRSV EOS with GE of
P

UNIQUAC equation give values that have an overall average absolute


deviations (AAD) and overall percentage mean deviations for VLE K-values for
all three binary systems of 0.0269 and 1.0115 respectively, for 71data points. On
the other hand the Wong- Sandler mixing rules and the PRSV EOS with GE of
P

NRTL equation give values that have an overall average absolute deviations
(AAD) and overall percentage mean deviations for VLE K-values for all three
binary systems of 0.0232 and 0.8368 respectively, for 71 data points.
As Table (4.9) indicates the SRK equation of state for vapor phase with
UNIFAC model for liquid phase gives values that have an overall average
absolute deviation (AAD) and overall percentage mean deviations for vapor
liquid equilibrium K-values for all three ternary systems of 0.048 and 4.679
respectively, for 298 data points .while the PR EOS for vapor phase with
UNIFAC model for liquid phase gives values that have an overall average
absolute deviations (AAD) and overall percentage mean deviations (mean D%)
for VLE K-values for all three ternary systems of 0.042 and 4.254
respectively,for 298 data points.
The SRK equation of state for vapor phase with UNIQUAC model for
liquid phase gives values that have an overall average absolute deviation (AAD)
and overall percentage mean deviations for vapor liquid equilibrium K-values
for all three ternary systems of 0.037 and 3.703 respectively, for 298 data points
.while the PR EOS for vapor phase with UNIQUAC model for liquid phase
gives values that have an overall average absolute deviations (AAD) and overall
percentage mean deviations (mean D%) for VLE K-values for all three ternary
systems of 0.031 and 3.037 respectively ,for 298 data points.
95

Chapter FOUR: Results and Discussion

The SRK equation of state for two phase gives values that have an overall
average absolute deviations (AAD) and overall percentage mean deviations for
VLE K-values for all three ternary systems of 0.025 and 2.629 respectively, for
298 data points while the PR equation of state for two phase gives values that
have an overall average absolute deviations (AAD) and overall percentage mean
deviations for VLE K-values for all three ternary systems of 0.021 and 2.256
respectively, for 298 data points.
The SRK equation of state for vapor phase with NRTL model for liquid
phase gives values that have an overall average absolute deviation (AAD) and
overall percentage mean deviations for vapor liquid equilibrium K-values for all
three ternary systems of 0.018 and 1.921 respectively, for 298 data points .while
the PR EOS for vapor phase with NRTL model for liquid phase gives values that
have an overall average absolute deviations (AAD) and overall percentage mean
deviations (mean D%) for VLE K-values for all three ternary systems of 0.013
and 1.565 respectively ,for 298 data points.
The Wong- Sandler mixing rules and the PRSV EOS with GE of
P

UNIQUAC equation gives values that have an overall average absolute


deviations (AAD) and overall percentage mean deviations for VLE K-values for
all three ternary systems of 0.016 and 1.787 respectively, for 298 data points.
While the Wong- Sandler mixing rules and the PRSV EOS with GE of NRTL
P

equation gives values that have an overall average absolute deviations (AAD)
and overall percentage mean deviations for VLE K-values for all three ternary
systems of 0.011 and 1.387 respectively, for 298 data points.
It appears that the calculated equilibrium K-values using the WongSandler mixing rules and the PRSV EOS based on GE models method gave the
P

best results. Because this method is capable of accurate and consistent


predictions of the equilibrium K-values it is applied applicability to mixture
containing heavy hydrocarbons and polar substances.

96

Chapter FOUR: Results and Discussion

The predicted value for the equilibrium constants are compared with the
literature value and good agreement is obtained.
The calculated VLE is sensitive to the type of cubic EOS used and to the
value of the adjustable parameters, particularly when the EOS are coupled with
the modified mixing rules. In addition, it can be observed that the type of cubic
EOS significantly changes the results when the number of parameter is
increased.
With the effect of the number of adjustable parameters (two, three or
more) on the VLE calculations, including mixtures with polar compounds as one
component or systems containing dissimilar constituents, as more parameters are
used the accuracy of calculated results is increased.
It is evident that the more constants in an equation of state, the more
flexibility in fitting experimental data but it is also clear that to obtain more
constants, one requires more experimental information.

97

Chapter FOUR: Results and Discussion

Table (4.8) Comparison between average absolute deviations and


percentage mean deviations between literature K-value and those

BINARY
SYSTEMS

System (I)

System()

Ethanol +
2-Methyl-2-propanol

MTBE +Ethanol

30

22

NO. of Data

MTBE +Octane

19

Ethanol

2-methyl2-propanol

MTBE

Ethanol

MTBE

Octane

AAD

0.0064

0.0410

0.0100

0.0669

0.0090

0.1220

0.0426

MeanD%

0.5020

0.8001

0.9024

3.2808

0.4420

5.8896

1.9696

AAD

0.0052

0.0401

0.0092

0.0617

0.0081

0.1005

0.0375

MeanD%

0.4020

0.6474

0.7555

3.1520

0.3720

5.5112

1.8068

AAD

0.0042

0.0383

0.0074

0.0600

0.0066

0.0883

0.0341

MeanD%

0.4011

0.6210

0.6903

2.8759

0.3112

4.9346

1.6390

AAD

0.0094

0.0483

0.0182

0.0799

0.0132

0.3730

0.0903

MeanD%

0.7940

1.5823

1.3720

4.2515

0.8157

7.9214

2.7895

AAD

0.0205

0.0884

0.0261

0.1002

0.0207

0.6846

0.1576

MeanD%

1.1034

3.0017

1.7245

5.8247

1.2645

8.8011

3.6200

AAD

0.0029

0.0364

0.0048

0.0594

0.0053

0.0781

0.0312

MeanD%

0.1969

0.5025

0.4875

2.2779

0.1553

3.1615

1.1303

AAD

0.0084

0.0452

0.0172

0.0710

0.0101

0.2132

0.0609

MeanD%

0.6029

1.2957

1.0010

3.8647

0.5920

6.7223

2.3464

AAD

0.0115

0.0621

0.0202

0.0850

0.0176

0.5112

0.1179

MeanD%

0.9345

2.0890

1.4992

5.0012

1.0359

8.1124

3.1120

AAD

0.0021

0.0300

0.0044

0.0545

0.0044

0.0664

0.0269

MeanD%

0.1965

0.4211

0.2901

2.0969

0.1000

2.9881

1.0155

AAD

0.0011

0.0276

0.0030

0.0522

0.0020

0.0535

0.0232

MeanD%

0.0998

0.3646

0.1982

2.0041

0.0964

2.2572

0.8368

K- value
(SRK)Vdna
L

System ()

Overall Error

calculated by various methods for binary systems.

(PR) Vdna L
P

(SRK) V
(NRTL) L
P

(SRK) V
(UNIQUAC) L
P

(SRK) V
(UNIFAC) L
P

(PR) V
(NRTL) L
P

(PR) V
(UNIQUAC) L
P

(PR) V
(UNIFAC) L
P

WS and PRSV
Based on
UNIQUAC GE
P

WS and PRSV
Based on NRTL
GE
P

98

Chapter FOUR: Results and Discussion

Table (4.9) Comparison between average absolute deviations and


percentage mean deviations between literature K-value and those
calculated by various methods for ternary systems.

TERNARY
SYSTEMS

MTBE +
Ethanol + 2-Methyl-2propanol

Octane

MTBE

Ethanol

Octane

0.034

0.015

0.015

0.033

0.013

0.019

0.061

0.025

MeanD%

1.030

0.820

6.567

0.787

0.510

5.724

0.315

0.711

7.200

2.629

AAD

0.019

0.007

0.025

0.011

0.011

0.031

0.010

0.015

0.059

0.021

MeanD%

0.988

0.579

5.119

0.711

0.483

4.845

0.251

0.655

6.671

2.256

AAD

0.013

0.005

0.022

0.010

0.009

0.029

0.007

0.013

0.052

0.018

MeanD%

0.815

0.413

3.477

0.622

0.411

4.613

0.207

0.521

6.211

1.921

AAD

0.045

0.016

0.053

0.026

0.020

0.041

0.025

0.028

0.078

0.037

MeanD%

1.798

1.701

8.533

1.215

1.222

7.973

0.882

1.172

8.831

3.703

AAD

0.058

0.022

0.066

0.034

0.027

0.053

0.035

0.039

0.102

0.048

MeanD%

2.181

2.064

10.312

2.019

1.861

9.011

1.905

2.439

10.321

4.679

AAD

0.009

0.004

0.016

0.009

0.006

0.028

0.006

0.011

0.051

0.016

MeanD%

0.517

0.409

3.144

0.519

0.303

4.521

0.155

0.410

6.101

1.787

AAD

0.037

0.013

0.042

0.020

0.018

0.038

0.020

0.023

0.067

0.031

MeanD%

1.443

1.133

7.011

1.015

0.933

6.318

0.621

0.852

8.011

3.037

AAD

0.050

0.018

0.059

0.030

0.023

0.046

0.030

0.033

0.088

0.042

MeanD%

2.001

1.976

10.051

1.753

1.475

8.238

1.345

1.934

9.511

4.254

AAD

0.008

0.002

0.013

0.006

0.005

0.027

0.003

0.005

0.048

0.013

MeanD%

0.311

0.310

2.500

0.134

0.215

4.492

0.104

0.305

5.534

1.565

AAD

0.003

0.001

0.012

0.005

0.002

0.025

0.002

0.003

0.045

0.011

MeanD%

0.103

0.205

2.335

0.311

0.204

4.005

0.102

0.205

5.011

1.387

propanol

0.008

Ethanol

0.026

MTBE

2-methyl-2propanol

2-methyl-2-

122

(PR) Vand L
P

88
Ethanol

MTBE +
Ethanol +
Octane

AAD

K- value

System ()

Ethanol +
2-Methyl-2-propanol
+ Octane

88

NO. of Data

(SRK) Vand L

System()

(SRK) V
(NRTL) L
P

(SRK) V
(UNIQUAC) L
P

(SRK) V
(UNIFAC) L
P

(PR) V
(NRTL) L
P

(PR) V
(UNIQUAC) L
P

(PR) V
(UNIFAC) L
P

WS and PRSV
Based on
UNIQUAC GE
WS and PRSV
Based on
NRTL
GE
P

Overall Error

System (I)

99

Chapter FOUR: Results and Discussion

The literature on VLE for the ethanol +2-methyl-2-propanol system is


shown graphically in figures (4.3) and (4.4).

Figure (4.3) Temperature-composition diagram for ethanol (1) +2methyl-2-propanol (2) at 101.3 kPa. literature data [3]: O, x 1 ; , y 1 .and ,
R

x 1 ; , y 1 . -, PRSV-EOS with WS mixing rules and NRTL model with


R

parameter in Table (C-12) in Appendix C in CD.

Figure (4.4) Activity coefficient-liquid composition diagram for ethanol (1) + 2methyl-2-propanol (2) at 101.3 kPa. literature data [3]: O, ln 2 ; , ln 2 .
,ln 1 ;,ln 2 . -, NRTL equation with parameters from Table(C-4) in Appendix
C in CD.
R

100

Chapter FOUR: Results and Discussion

The MTBE + ethanol system forms minimum boiling azeotrope. the


azeotrope data are x1(AZ) =0.955 mole fraction and T(AZ)=327.94K. the
literature on VLE for the MTBE + Ethanol system is shown in Figures (4.5)and
(4.6).
The tendency of a mixture to form an azeotrope depends on two factors:
The difference in the pure component boiling points.
The degree of nonideality.
The closer the boiling points of the pure components and the less ideal mixture,
the greater the likelihood of an azeotrope.

Figure (4.5) Temperature-composition diagram for MTBE (1) +ethanol (2) at


101.3 kPa: (O) x 1 , () y 1 litreature data [69]; () x 1 , () y 1 , (-) PRSV-EOS and
R

WS mixing rules and NRTL model with parameter from Table (C-12) in
Appendix C in CD.

101

Chapter FOUR: Results and Discussion

Figure (4.6) Activity coefficient-liquid composition diagram for MTBE (1) +


ethanol (2) at 101.3 kPa: (O) ln 1 ,() ln 2 literature data [69]; () ln 1 , ()
ln 2 , (-) NRTL equation with parameter from Table (C-4) in Appendix C in
CD.
R

The literature on VLE for the binary system MTBE +Octane is shown
graphically in Figures (4.7) and (4.8).

Figure (4.7) Temperature-composition diagram for MTBE (1) +octane (2) at


101.3 kPa: (O) x 1 , () y 1 ; literature data [69] ;() x 1 , () y 1 , (-) PRSV-EOS
with WS mixing rules and NRTL model with parameter from Table (C-12) in
Appendix C in CD.
R

102

Chapter FOUR: Results and Discussion

Figure (4.8) Activity coefficient-liquid composition diagram for MTBE (1) +


octane (2) at 101.3 kPa: (O) ln 1 , ()ln 2 literature data [69]; () ln 1 , () ln
2 , (-)NRTL equation with parameters from Table (C-4) in Appendix C in CD.
R

The tie lines and isotherms based on the literature data for this ternary
system (I) MTBE(1) +Ethanol(2) + 2-methyl-2-propanol(3) at 101.3KPa are
shown in Figures (4.9) and (4.10) respectively. the system forms
nonazeotropic mixture.

Figure (4.9) Tie lines for the ternary system MTBE (1) + ethanol(2) + 2-methyl2-propanol (3) at 101.3 kPa: O, liquid composition;,vapor composition.

103

Chapter FOUR: Results and Discussion

Figure (4.10) Isotherms for the ternary system MTBE (1) + ethanol(2) + 2methyl-2-propanol (3) at 101.3 kPa.
The ternary system (II) of Ethanol(1) + 2-methyl-2-propanol (2) + Octane
(3) at 101.3KPa are shown graphically in Figures (4.11) and (4.12) This
system forms anon azeotropic mixture.

Figure (4.11) Tie lines for the ternary system ethanol (1) + 2-methyl2-propanol (2) + octane (3) at 101.3 kPa: O, liquid composition;, vapor
composition.

104

Chapter FOUR: Results and Discussion

Figure (4.12) Isotherms for the ternary system ethanol (1) +2-methyl-2propanol (2) + octane (3) at 101.3 kPa.
The tie lines and isotherms based on data for the ternary system(III) MTBE
(1) + Ethanol (2) + Octane (3) at 101.3KPa do not form azeotropic mixture
shown in Figures (4.13) and (4.14).

Figure (4.13) Tie lines for the ternary system MTBE (1) + ethanol (2) + octane
(3) at 101.3 kPa: (O) liquid composition; () vapor composition.

105

Chapter FOUR: Results and Discussion

Figure (4.14) Isotherms for the ternary system MTBE (1) + ethanol(2) + octane
(3) at 101.3 kPa.

106

Chapter five: conclusion and Recommendation for future work

CHAPTER five

Conclusion and Recommendation


for future work

5.1 Conclusion
Based on this study, the following conclusions can be made:
1) All literature data are thermodynamically consistent because they passed the
thermodynamic consistency test of McDermott-Ellis test method.
2) The success of correlating vapor-liquid equilibrium data using a cubic equation
of state primarily depends on two things: one is the function and the other is
the mixing rule upon which the accuracy of predicting mixture properties relies.
3) In dealing with VLE of asymmetric and polar compounds, the composition
dependence mixing rules must be used rather the conventional mixing rule.
4) The computer program developed in this work for VLE calculation of K-values
uses the maximum likelihood principle for parameter estimation which provides
a mathematical and computational guarantee of global optimality in parameter
estimation.
5) The method of calculations with mixing rule based on GE models has been
P

shown to be a suitable tool for computer calculations of the equilibrium


behavior for hydrocarbons.
6) For the three binary systems of 71 data point the results obtained for VLE Kvalues are:

107

Chapter five: conclusion and Recommendation for future work

a) when using EOS in both phases, the PR EOS gives better results than using
SRK EOS. The overall average absolute deviations (AAD) and overall percentage
mean deviation for PR equation of state for two phases are 0.0375 and 1.8068
respectively. But The overall average absolute deviations (AAD) and overall
percentage mean deviation for SRK equation of state for two phases are 0.0426 and
1.9696 respectively.
b) when using EOS for vapor phase and activity coefficient models for liquid phase
both (PR and SRK) EOS gives better results with NRTL activity coefficient model
than (UNIQUAC and UNIFAC) models.
The overall average absolute deviations (AAD) and overall percentage mean
deviation for PR EOS for vapor phase with NRTL model for liquid phase are
0.0312 and 1.1303 respectively and The overall average absolute deviations (AAD)
and overall percentage mean deviation for SRK equation of state for vapor phase
with NRTL model for liquid phase are 0.0341 and 1.6390 respectively.
The overall average absolute deviations (AAD) and overall percentage mean
deviation for PR EOS for vapor phase with UNIQUAC model for liquid phase are
0.0609 and 2.3464 respectively and The overall average absolute deviations (AAD)
and overall percentage mean deviation for SRK equation of state for vapor phase
with UNIQUAC model for liquid phase are 0.0903 and 2.7895 respectively. And
The overall average absolute deviations (AAD) and overall percentage mean
deviation for PR EOS for vapor phase with UNIFAC model for liquid phase are
0.1179 and 3.1120 respectively and The overall average absolute deviations (AAD)
and overall percentage mean deviation for SRK equation of state for vapor phase
with UNFAC model for liquid phase are 0.1576 and 3.6200 respectively.
c) when using the Wong-Sandler mixing rules and the PRSV EOS with GE of
P

NRTL model gives better results than using the Wong-sandler mixing rules and the
PRSV EOS with GE of UNIQUAC model.
P

108

Chapter five: conclusion and Recommendation for future work

The overall average absolute deviations (AAD) and overall percentage mean
deviation for WS mixing rules and PRSV EOS with GE of NRTL are 0.0232 and
P

0.8387 respectively but the overall average absolute deviations (AAD) and overall
percentage mean deviation for WS mixing rules and PRSV EOS with GE of
P

UNIQUAC are 0.0269 and 1.0155 respectively.


Table (5.1) the overall error for three binary systems by comparison between
average absolute deviation and percentage mean deviation between literature
K values and those calculated by various methods.
BINARY SYSTEMS
NO. of Data

71

K- value

Overall Error

(SRK)
Vdna L

AAD

0.0426

MeanD%

1.9696

(PR)
Vdna L

AAD
MeanD%

0.0375
1.8068

(SRK) V
(NRTL) L
(SRK) V
(UNIQUAC) L
(SRK) V
(UNIFAC) L

AAD
MeanD%
AAD
MeanD%
AAD
MeanD%

0.0341
1.6390
0.0903
2.7895
0.1576
3.6200

(PR)
(NRTL) L
(PR) V
(UNIQUAC) L
(PR) V
(UNIFAC) L

AAD
MeanD%
AAD
MeanD%
AAD
MeanD%

0.0312
1.1303
0.0609
2.3464
0.1179
3.1120

WS and PRSV
Based on
UNIQUAC GE
WS and PRSV
Based on NRTL
GE

AAD

0.0269

MeanD%

1.0155

AAD

0.0232

MeanD%

0.8368

V
P

109

Chapter five: conclusion and Recommendation for future work

7) For the three ternary systems of 298 data point the results for VLE K-values
from parameters obtained from ternary data are:
a) when using EOS in both phases, the PR EOS gives better results than using
SRK EOS. The overall average absolute deviations (AAD) and overall percentage
mean deviation for PR equation of state for two phases are 0.021 and 2.256
respectively. But The overall average absolute deviations (AAD) and overall
percentage mean deviation for SRK equation of state for two phases are 0.025 and
2.629 respectively.
b) when using EOS for vapor phase and activity coefficient models for liquid phase
both (PR and SRK) EOS gives better results with NRTL activity coefficient model
than (UNIQUAC and UNIFAC) models.
The overall average absolute deviations (AAD) and overall percentage mean
deviation for PR EOS for vapor phase with NRTL model for liquid phase are 0.016
and 1.787 respectively and The overall average absolute deviations (AAD) and
overall percentage mean deviation for SRK equation of state for vapor phase with
NRTL model for liquid phase are 0.018 and 1.921 respectively.
The overall average absolute deviations (AAD) and overall percentage mean
deviation for PR EOS for vapor phase with UNIQUAC model for liquid phase are
0.031 and 3.037 respectively and The overall average absolute deviations (AAD)
and overall percentage mean deviation for SRK equation of state for vapor phase
with UNIQUAC model for liquid phase are 0.037 and 3.703 respectively. And
The overall average absolute deviations (AAD) and overall percentage mean
deviation for PR EOS for vapor phase with UNIFAC model for liquid phase are
0.042 and 4.254 respectively and The overall average absolute deviations (AAD)
and overall percentage mean deviation for SRK equation of state for vapor phase
with UNFAC model for liquid phase are 0.048 and 4.679 respectively.

110

Chapter five: conclusion and Recommendation for future work

c) when using the Wong-Sandler mixing rules and the PRSV EOS with GE of
P

NRTL model gives better results than using the Wong-sandler mixing rules and the
PRSV EOS with GE of UNIQUAC model.
P

The overall average absolute deviations (AAD) and overall percentage mean
deviation for WS mixing rules and PRSV EOS with GE of NRTL are 0.011 and
P

1.387 respectively but the overall average absolute deviations (AAD) and overall
percentage mean deviation for WS mixing rules and PRSV EOS with GE of
P

UNIQUAC are 0.013 and 1.565 respectively.


Table (5.2) the overall error for three ternary systems by comparison between
average absolute deviation and percentage mean deviation between literature
K values and those calculated by various methods.

TERNARY SYSTEMS
NO. of Data
K- value
(SRK) Vand
L

298
Overall Error

AAD

0.025

MeanD%

2.629

(PR) and
L

AAD
MeanD%

0.021
2.256

(SRK) V
(NRTL) L
(SRK) V
(UNIQUAC) L
(SRK) V
(UNIFAC) L

AAD
MeanD%
AAD
MeanD%
AAD
MeanD%

0.018
1.921
0.037
3.703
0.048
4.679

(PR)
(NRTL) L
(PR) V
(UNIQUAC) L
(PR) V
(UNIFAC) L

AAD
MeanD%
AAD
MeanD%
AAD
MeanD%

0.016
1.787
0.031
3.037
0.042
4.254

WS and PRSV
Based on
UNIQUAC GE
WS and PRSV
Based on
NRTL GE

AAD

0.013

MeanD%

1.565

AAD

0.011

MeanD%

1.387

V
P

V
P

111

Chapter five: conclusion and Recommendation for future work

8) The Wong- Sandler mixing rules and the PRSV EOS with GE models method in
P

this work gives more accurate results in evaluating K-values than other methods
for binary system and ternary system

5.2 Recommendation for Future Work


Although this work is an attempt to modify the prediction of vapor-liquid
equilibria, there will be undoubtedly always a need for further improvement. Based
on the conclusions presented previously, the following recommendations may be
made for future work:
1.

New mixing rules should be tested not only for VLE prediction, but also

for the prediction of other thermodynamic properties as a necessary step in the


validation of new thermodynamic models.
2.

Future work should include searching for a new mixing rule which will be

applicable to the high temperature and pressure regions, i.e. the regions close to
and at the critical point.
3.

The behavior of polar compound in hydrocarbon mixtures should be

studied in more detail both theoretically and experimentally and its affects on
the behavior of other components in the mixtures should be determined.
4.

Further understanding of the interaction between molecules leading to

interaction coefficients should be studied in more detail. The effect of


temperature, pressure and composition on interaction coefficients for ternary
systems should also be studied.

112

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119

APPENDIX A

: tables of data

APPENDIX A

TABLES OF DATA FOR BINARY &


TERNARY SYSTEMS
A.1 BINARY SYSTEMES:
A.1.1 binary system ()
[Ethanol (1) +2-methyl-2-propanol (2)]
Table (A-1) Isobaric vapor liquid equilibrium data when using SRK EOS for two
phase of binary system ethanol(1)+ 2-methyl-2-propanol(2) at 101.3KPa.
Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit

x1 ca.l.

y1 lit.

y1 cal.

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0323
0.0679
0.0921
0.1107
0.1627
0.2263
0.2845
0.3147
0.3764
0.3990
0.4380
0.4978
0.5309
0.5562
0.5756
0.6234
0.6383
0.6625
0.7088
0.7747
0.7920
0.8271
0.8402
0.8592
0.8763
0.8805
0.8871
0.9099
0.9420

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0357
0.0749
0.1015
0.1220
0.1788
0.2485
0.3122
0.3455
0.4128
0.4378
0.4798
0.5440
0.5792
0.6060
0.6256
0.6743
0.6902
0.7140
0.7594
0.8211
0.8366
0.8671
0.8784
0.8946
0.9088
0.9122
0.9177
0.9359
0.9610

A-1

APPENDIX A

: tables of data

Table (A-2) Isobaric vapor liquid equilibrium data when using PR EOS for two
phase of binary system ethanol (1)+ 2-methyl-2-propanol(2) at 101.3KPa.
Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal.

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0328
0.0690
0.0936
0.1124
0.1653
0.2299
0.2890
0.3197
0.3824
0.4054
0.4450
0.5057
0.5394
0.5650
0.5847
0.6333
0.6485
0.6731
0.7200
0.7870
0.8046
0.8402
0.8535
0.8729
0.8903
0.8945
0.9012
0.9244
0.9570

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0358
0.0752
0.1019
0.1225
0.1796
0.2495
0.3135
0.3469
0.4146
0.4397
0.4818
0.5463
0.5816
0.6085
0.6282
0.6771
0.6931
0.7170
0.7625
0.8245
0.8401
0.8707
0.8820
0.8983
0.9126
0.9160
0.9215
0.9398
0.9650

A-2

APPENDIX A

: tables of data

Table (A-3) Isobaric vapor liquid equilibrium data when using SRK EOS for vapor
phase and NRTL model for liquid phase of binary system ethanol(1)+ 2-methyl-2propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0334
0.0702
0.0953
0.1144
0.1682
0.2340
0.2941
0.3254
0.3892
0.4126
0.4529
0.5147
0.5489
0.5750
0.5951
0.6446
0.6600
0.6850
0.7328
0.8010
0.8189
0.8552
0.8687
0.8884
0.9061
0.9104
0.9172
0.9408
0.9740

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0358
0.0753
0.1020
0.1226
0.1798
0.2498
0.3139
0.3473
0.4150
0.4401
0.4823
0.5469
0.5822
0.6092
0.6289
0.6778
0.6938
0.7177
0.7633
0.8254
0.8410
0.8716
0.8829
0.8992
0.9135
0.9169
0.9224
0.9408
0.9660

A-3

APPENDIX A

: tables of data

Table (A-4) Isobaric vapor liquid equilibrium data when using SRK EOS for vapor
phase and UNIQUAC model for liquid phase of binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal

335.5300
355.4300
355.3500
355.2900
355.2400
355.1200
354.9500
354.7800
354.7000
354.4900
354.4100
354.2600
354.0200
353.8700
353.7600
353.6700
353.4300
353.3500
353.2200
352.9700
352.5800
352.4800
352.2600
352.1800
352.0600
351.9400
351.9100
351.8700
351.7100
351.4400

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0330
0.0694
0.0941
0.1130
0.1661
0.2311
0.2905
0.3214
0.3844
0.4075
0.4473
0.5083
0.5422
0.5680
0.5878
0.6367
0.6519
0.6766
0.7238
0.7911
0.8088
0.8446
0.8580
0.8774
0.8949
0.8992
0.9059
0.9292
0.9620

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0358
0.0753
0.1020
0.1226
0.1798
0.2498
0.3139
0.3473
0.4150
0.4401
0.4823
0.5469
0.5822
0.6092
0.6289
0.6778
0.6938
0.7177
0.7633
0.8254
0.8410
0.8716
0.8829
0.8992
0.9135
0.9169
0.9224
0.9408
0.9660

A-4

APPENDIX A

: tables of data

Table (A-5) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and UNIFAC model for liquid phase of binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659

0.0000
0.0330
0.0693
0.0940
0.1129
0.1660
0.2308
0.2902
0.3211
0.3840
0.4071
0.4469
0.5078
0.5416
0.5674
0.5872
0.6360
0.6512
0.6759
0.7231
0.7903
0.8080
0.8438
0.8571
0.8765
0.8940
0.8982
0.9050
0.9282

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739

0.0000
0.0358
0.0753
0.1020
0.1226
0.1798
0.2498
0.3139
0.3473
0.4150
0.4401
0.4823
0.5469
0.5822
0.6092
0.6289
0.6778
0.6938
0.7177
0.7633
0.8254
0.8410
0.8716
0.8829
0.8992
0.9135
0.9169
0.9224
0.9408

351.44

1.0000

0.9610

1.0000

0.9660

A-5

APPENDIX A

: tables of data

Table (A-6) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and NRTL model for liquid phase of binary system ethanol(1)+ 2-methyl-2propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1lit.

x1 cal.

y1 lit.

y1 cal

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0332
0.0699
0.0948
0.1139
0.1673
0.2328
0.2926
0.3237
0.3872
0.4105
0.4506
0.5120
0.5461
0.5721
0.5921
0.6413
0.6566
0.6815
0.7291
0.7969
0.8147
0.8508
0.8643
0.8838
0.9015
0.9057
0.9125
0.9360
0.9690

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0359
0.0754
0.1022
0.1228
0.1801
0.2503
0.3145
0.3480
0.4159
0.4410
0.4833
0.5480
0.5834
0.6104
0.6302
0.6792
0.6952
0.7192
0.7649
0.8271
0.8427
0.8734
0.8848
0.9011
0.9154
0.9188
0.9243
0.9427
0.9680

A-6

APPENDIX A

: tables of data

Table (A-7) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and UNIQUAC model for liquid phase of binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal.

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0331
0.0695
0.0943
0.1133
0.1665
0.2316
0.2911
0.3221
0.3852
0.4084
0.4483
0.5094
0.5433
0.5691
0.5890
0.6380
0.6532
0.6780
0.7253
0.7928
0.8105
0.8464
0.8598
0.8793
0.8968
0.9011
0.9078
0.9311
0.9640

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0359
0.0754
0.1022
0.1228
0.1801
0.2503
0.3145
0.3480
0.4159
0.4410
0.4833
0.5480
0.5834
0.6104
0.6302
0.6792
0.6952
0.7192
0.7649
0.8271
0.8427
0.8734
0.8848
0.9011
0.9154
0.9188
0.9243
0.9427
0.9680

A-7

APPENDIX A

: tables of data

Table (A-8) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and UNIFAC model for liquid phase of binary system ethanol(1)+ 2-methyl2-propanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0330
0.0694
0.0941
0.1130
0.1661
0.2311
0.2905
0.3214
0.3844
0.4075
0.4473
0.5083
0.5422
0.5680
0.5878
0.6367
0.6519
0.6766
0.7238
0.7911
0.8088
0.8446
0.8580
0.8774
0.8949
0.8992
0.9059
0.9292
0.9620

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0359
0.0754
0.1022
0.1228
0.1801
0.2503
0.3145
0.3480
0.4159
0.4410
0.4833
0.5480
0.5834
0.6104
0.6302
0.6792
0.6952
0.7192
0.7649
0.8271
0.8427
0.8734
0.8848
0.9011
0.9154
0.9188
0.9243
0.9427
0.9680

A-8

APPENDIX A

: tables of data

Table (A-9) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from NRTL model for binary system ethanol(1)+ 2methyl-2-propanol(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal.

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0338
0.0709
0.0962
0.1156
0.1699
0.2364
0.2972
0.3288
0.3932
0.4168
0.4576
0.5199
0.5546
0.5810
0.6012
0.6512
0.6668
0.6920
0.7404
0.8092
0.8273
0.8640
0.8776
0.8975
0.9154
0.9197
0.9266
0.9504
0.9840

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0366
0.0768
0.1041
0.1251
0.1835
0.2550
0.3204
0.3545
0.4236
0.4492
0.4923
0.5582
0.5943
0.6218
0.6419
0.6919
0.7081
0.7326
0.7791
0.8424
0.8584
0.8897
0.9012
0.9179
0.9325
0.9359
0.9415
0.9603
0.9860

A-9

APPENDIX A

: tables of data

Table (A-10) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from UNIQUAC model for binary system
ethanol(1)+ 2-methyl-2-propanol(2) at 101.3KPa.Temperature,T, liquid phase x1,
vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1 cal.

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

0.0000
0.0343
0.0721
0.0978
0.1175
0.1727
0.2402
0.3020
0.3341
0.3996
0.4236
0.4650
0.5284
0.5636
0.5904
0.6110
0.6618
0.6776
0.7033
0.7524
0.8224
0.8408
0.8780
0.8919
0.9121
0.9303
0.9347
0.9417
0.9659
1.0000

0.0000
0.0337
0.0708
0.0960
0.1154
0.1696
0.2359
0.2966
0.3281
0.3924
0.4160
0.4566
0.5189
0.5535
0.5798
0.6000
0.6499
0.6654
0.6906
0.7389
0.8076
0.8257
0.8622
0.8758
0.8957
0.9136
0.9179
0.9247
0.9485
0.9820

0.0000
0.0371
0.0779
0.1056
0.1269
0.1861
0.2586
0.3249
0.3595
0.4296
0.4556
0.4993
0.5661
0.6027
0.6306
0.6510
0.7017
0.7182
0.7430
0.7902
0.8544
0.8706
0.9023
0.9140
0.9309
0.9457
0.9492
0.9549
0.9739
1.0000

0.0000
0.0365
0.0767
0.1039
0.1249
0.1831
0.2545
0.3197
0.3537
0.4227
0.4483
0.4913
0.5570
0.5931
0.6205
0.6406
0.6905
0.7067
0.7311
0.7776
0.8407
0.8567
0.8879
0.8994
0.9160
0.9306
0.9340
0.9396
0.9583
0.9840

A-10

APPENDIX A

: tables of data

A.1.2 binary system ()

[MTBE (1) + Ethanol (2)]


Table (A-11) Isobaric vapor liquid equilibrium data when using SRK EOS for two
phase of binary system MTBE (1) + ethanol (2) at 101.3KPa. Temperature,T, liquid
phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0708

0.2673

0.2561

340.75

0.1558

0.1466

0.4363

0.4180

338.26

0.2145

0.2018

0.5204

0.4985

337.31

0.2437

0.2293

0.5516

0.5284

336.01

0.2837

0.2670

0.5875

0.5628

333.94

0.3699

0.3481

0.6498

0.6225

332.79

0.4299

0.4045

0.6879

0.6590

331.79

0.4967

0.4674

0.7200

0.6898

330.76

0.6051

0.5694

0.7537

0.7220

329.42

0.7011

0.6597

0.8075

0.7736

329.20

0.7250

0.6822

0.8186

0.7842

328.91

0.7620

0.7170

0.8339

0.7989

328.84

0.7739

0.7282

0.8409

0.8056

328.57

0.8117

0.7638

0.8584

0.8223

328.38

0.8385

0.7890

0.8745

0.8378

328.15

0.8875

0.8351

0.9034

0.8655

328.00

0.9262

0.8716

0.9317

0.8926

327.99

0.9341

0.8790

0.9374

0.8980

327.95

0.9535

0.8972

0.9537

0.9136

327.95

0.9695

0.9123

0.9683

0.9276

328.14

1.0000

0.9410

1.0000

0.9580

A-11

APPENDIX A

: tables of data

Table (A-12) Isobaric vapor liquid equilibrium data when using PR EOS for two
phase of binary system MTBE (1) + ethanol (2) at 101.3KPa. Temperature,T, liquid
phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95

0.0000
0.0752
0.1558
0.2145
0.2437
0.2837
0.3699
0.4299
0.4967
0.6051
0.7011
0.7250
0.7620
0.7739
0.8117
0.8385
0.8875
0.9262
0.9341
0.9535
0.9695

0.0000
0.0716
0.1483
0.2042
0.2320
0.2701
0.3521
0.4093
0.4729
0.5761
0.6674
0.6902
0.7254
0.7368
0.7727
0.7983
0.8449
0.8817
0.8893
0.9077
0.9230

0.0000
0.2673
0.4363
0.5204
0.5516
0.5875
0.6498
0.6879
0.7200
0.7537
0.8075
0.8186
0.8339
0.8409
0.8584
0.8745
0.9034
0.9317
0.9374
0.9537
0.9683

0.0000
0.2569
0.4193
0.5001
0.5301
0.5646
0.6245
0.6611
0.6919
0.7243
0.7760
0.7867
0.8014
0.8081
0.8249
0.8404
0.8682
0.8954
0.9008
0.9165
0.9305

328.14

1.0000

0.9520

1.0000

0.9610

A-12

APPENDIX A

: tables of data

Table (A-13) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and NRTL model for liquid phase of binary system MTBE (1) +
Ethanol (2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0728

0.2673

0.2569

340.75

0.1558

0.1508

0.4363

0.4193

338.26

0.2145

0.2076

0.5204

0.5001

337.31

0.2437

0.2359

0.5516

0.5301

336.01

0.2837

0.2746

0.5875

0.5646

333.94

0.3699

0.3581

0.6498

0.6245

332.79

0.4299

0.4161

0.6879

0.6611

331.79

0.4967

0.4808

0.7200

0.6919

330.76

0.6051

0.5857

0.7537

0.7243

329.42

0.7011

0.6787

0.8075

0.7760

329.20

0.7250

0.7018

0.8186

0.7867

328.91

0.7620

0.7376

0.8339

0.8014

328.84

0.7739

0.7491

0.8409

0.8081

328.57

0.8117

0.7857

0.8584

0.8249

328.38

0.8385

0.8117

0.8745

0.8404

328.15

0.8875

0.8591

0.9034

0.8682

328.00

0.9262

0.8966

0.9317

0.8954

327.99

0.9341

0.9042

0.9374

0.9008

327.95

0.9535

0.9230

0.9537

0.9165

327.95

0.9695

0.9385

0.9683

0.9305

328.14

1.0000

0.9680

1.0000

0.9610

A-13

APPENDIX A

: tables of data

Table (A-14) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and UNIQUAC model for liquid phase of binary system MTBE(1)+
Ethanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0723

0.2673

0.2569

340.75

0.1558

0.1497

0.4363

0.4193

338.26

0.2145

0.2061

0.5204

0.5001

337.31

0.2437

0.2342

0.5516

0.5301

336.01

0.2837

0.2726

0.5875

0.5646

333.94

0.3699

0.3555

0.6498

0.6245

332.79

0.4299

0.4131

0.6879

0.6611

331.79

0.4967

0.4773

0.7200

0.6919

330.76

0.6051

0.5815

0.7537

0.7243

329.42

0.7011

0.6738

0.8075

0.7760

329.20

0.7250

0.6967

0.8186

0.7867

328.91

0.7620

0.7323

0.8339

0.8014

328.84

0.7739

0.7437

0.8409

0.8081

328.57

0.8117

0.7800

0.8584

0.8249

328.38

0.8385

0.8058

0.8745

0.8404

328.15

0.8875

0.8529

0.9034

0.8682

328.00

0.9262

0.8901

0.9317

0.8954

327.99

0.9341

0.8977

0.9374

0.9008

327.95

0.9535

0.9163

0.9537

0.9165

327.95

0.9695

0.9317

0.9683

0.9305

328.14

1.0000

0.9610

1.0000

0.9610

A-14

APPENDIX A

: tables of data

Table (A-15) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and UNIFAC model for liquid phase of binary system MTBE(1)+
Ethanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0720

0.2673

0.2569

340.75

0.1558

0.1493

0.4363

0.4193

338.26

0.2145

0.2055

0.5204

0.5001

337.31

0.2437

0.2335

0.5516

0.5301

336.01

0.2837

0.2718

0.5875

0.5646

333.94

0.3699

0.3544

0.6498

0.6245

332.79

0.4299

0.4118

0.6879

0.6611

331.79

0.4967

0.4758

0.7200

0.6919

330.76

0.6051

0.5797

0.7537

0.7243

329.42

0.7011

0.6717

0.8075

0.7760

329.20

0.7250

0.6946

0.8186

0.7867

328.91

0.7620

0.7300

0.8339

0.8014

328.84

0.7739

0.7414

0.8409

0.8081

328.57

0.8117

0.7776

0.8584

0.8249

328.38

0.8385

0.8033

0.8745

0.8404

328.15

0.8875

0.8502

0.9034

0.8682

328.00

0.9262

0.8873

0.9317

0.8954

327.99

0.9341

0.8949

0.9374

0.9008

327.95

0.9535

0.9135

0.9537

0.9165

327.95

0.9695

0.9288

0.9683

0.9305

328.14

1.0000

0.9580

1.0000

0.9610

A-15

APPENDIX A

: tables of data

Table (A-16) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and NRTL model for liquid phase of binary system MTBE(1) +Ethanol(2) at
101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0731

0.2673

0.2579

340.75

0.1558

0.1514

0.4363

0.4210

338.26

0.2145

0.2085

0.5204

0.5022

337.31

0.2437

0.2369

0.5516

0.5323

336.01

0.2837

0.2758

0.5875

0.5669

333.94

0.3699

0.3595

0.6498

0.6271

332.79

0.4299

0.4179

0.6879

0.6638

331.79

0.4967

0.4828

0.7200

0.6948

330.76

0.6051

0.5882

0.7537

0.7273

329.42

0.7011

0.6815

0.8075

0.7792

329.20

0.7250

0.7047

0.8186

0.7899

328.91

0.7620

0.7407

0.8339

0.8047

328.84

0.7739

0.7522

0.8409

0.8115

328.57

0.8117

0.7890

0.8584

0.8284

328.38

0.8385

0.8150

0.8745

0.8439

328.15

0.8875

0.8627

0.9034

0.8718

328.00

0.9262

0.9003

0.9317

0.8991

327.99

0.9341

0.9079

0.9374

0.9046

327.95

0.9535

0.9268

0.9537

0.9203

327.95

0.9695

0.9424

0.9683

0.9344

328.14

1.0000

0.9720

1.0000

0.9650

A-16

APPENDIX A

: tables of data

Table (A-17) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and UNIQUAC model for liquid phase of binary system
MTBE(1)+Ethanol(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0724

0.2673

0.2579

340.75

0.1558

0.1500

0.4363

0.4210

338.26

0.2145

0.2066

0.5204

0.5022

337.31

0.2437

0.2347

0.5516

0.5323

336.01

0.2837

0.2732

0.5875

0.5669

333.94

0.3699

0.3562

0.6498

0.6271

332.79

0.4299

0.4140

0.6879

0.6638

331.79

0.4967

0.4783

0.7200

0.6948

330.76

0.6051

0.5827

0.7537

0.7273

329.42

0.7011

0.6752

0.8075

0.7792

329.20

0.7250

0.6982

0.8186

0.7899

328.91

0.7620

0.7338

0.8339

0.8047

328.84

0.7739

0.7453

0.8409

0.8115

328.57

0.8117

0.7817

0.8584

0.8284

328.38

0.8385

0.8075

0.8745

0.8439

328.15

0.8875

0.8547

0.9034

0.8718

328.00

0.9262

0.8919

0.9317

0.8991

327.99

0.9341

0.8995

0.9374

0.9046

327.95

0.9535

0.9182

0.9537

0.9203

327.95

0.9695

0.9336

0.9683

0.9344

328.14

1.0000

0.9630

1.0000

0.9650

A-17

APPENDIX A

: tables of data

Table (A-18) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and UNIFAC model for liquid phase of binary system MTBE(1)+Ethanol(2)
at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0723

0.2673

0.2579

340.75

0.1558

0.1497

0.4363

0.4210

338.26

0.2145

0.2061

0.5204

0.5022

337.31

0.2437

0.2342

0.5516

0.5323

336.01

0.2837

0.2726

0.5875

0.5669

333.94

0.3699

0.3555

0.6498

0.6271

332.79

0.4299

0.4131

0.6879

0.6638

331.79

0.4967

0.4773

0.7200

0.6948

330.76

0.6051

0.5815

0.7537

0.7273

329.42

0.7011

0.6738

0.8075

0.7792

329.20

0.7250

0.6967

0.8186

0.7899

328.91

0.7620

0.7323

0.8339

0.8047

328.84

0.7739

0.7437

0.8409

0.8115

328.57

0.8117

0.7800

0.8584

0.8284

328.38

0.8385

0.8058

0.8745

0.8439

328.15

0.8875

0.8529

0.9034

0.8718

328.00

0.9262

0.8901

0.9317

0.8991

327.99

0.9341

0.8977

0.9374

0.9046

327.95

0.9535

0.9163

0.9537

0.9203

327.95

0.9695

0.9317

0.9683

0.9344

328.14

1.0000

0.9610

1.0000

0.9650

A-18

APPENDIX A

: tables of data

Table (A-19) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from NRTL model for binary system MTBE(1)+
Ethanol(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit..

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0742

0.2673

0.2630

340.75

0.1558

0.1538

0.4363

0.4293

338.26

0.2145

0.2117

0.5204

0.5121

337.31

0.2437

0.2405

0.5516

0.5428

336.01

0.2837

0.2800

0.5875

0.5781

333.94

0.3699

0.3651

0.6498

0.6394

332.79

0.4299

0.4243

0.6879

0.6769

331.79

0.4967

0.4902

0.7200

0.7085

330.76

0.6051

0.5972

0.7537

0.7416

329.42

0.7011

0.6920

0.8075

0.7946

329.20

0.7250

0.7156

0.8186

0.8055

328.91

0.7620

0.7521

0.8339

0.8206

328.84

0.7739

0.7638

0.8409

0.8274

328.57

0.8117

0.8011

0.8584

0.8447

328.38

0.8385

0.8276

0.8745

0.8605

328.15

0.8875

0.8760

0.9034

0.8889

328.00

0.9262

0.9142

0.9317

0.9168

327.99

0.9341

0.9220

0.9374

0.9224

327.95

0.9535

0.9411

0.9537

0.9384

327.95

0.9695

0.9569

0.9683

0.9528

328.14

1.0000

0.9870

1.0000

0.9840

A-19

APPENDIX A

: tables of data

Table (A-20) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from UNIQUAC model for binary system
MTBE(1)+ Ethanol(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

351.44

0.0000

0.0000

0.0000

0.0000

345.39

0.0752

0.0738

0.2673

0.2622

340.75

0.1558

0.1528

0.4363

0.4280

338.26

0.2145

0.2104

0.5204

0.5105

337.31

0.2437

0.2391

0.5516

0.5411

336.01

0.2837

0.2783

0.5875

0.5763

333.94

0.3699

0.3629

0.6498

0.6375

332.79

0.4299

0.4217

0.6879

0.6748

331.79

0.4967

0.4873

0.7200

0.7063

330.76

0.6051

0.5936

0.7537

0.7394

329.42

0.7011

0.6878

0.8075

0.7922

329.20

0.7250

0.7112

0.8186

0.8030

328.91

0.7620

0.7475

0.8339

0.8181

328.84

0.7739

0.7592

0.8409

0.8249

328.57

0.8117

0.7963

0.8584

0.8421

328.38

0.8385

0.8226

0.8745

0.8579

328.15

0.8875

0.8706

0.9034

0.8862

328.00

0.9262

0.9086

0.9317

0.9140

327.99

0.9341

0.9164

0.9374

0.9196

327.95

0.9535

0.9354

0.9537

0.9356

327.95

0.9695

0.9511

0.9683

0.9499

328.14

1.0000

0.9810

1.0000

0.9810

A-20

APPENDIX A

: tables of data

A.1.3 binary system ()

[MTBE (1) +Octane (2)]

Table (A-21) Isobaric vapor liquid equilibrium data when using SRK EOS for two
phase of binary system MTBE (1) + Octane (2) at 101.3KPa. Temperature,T,
liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1035
0.1197
0.1748
0.2460
0.2781
0.3159
0.3565
0.4188
0.4901
0.5395
0.5814
0.6125
0.6869
0.7495
0.7967
0.8667
0.9003
0.9510

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4507
0.4955
0.6148
0.7112
0.7500
0.7797
0.8084
0.8415
0.8693
0.8847
0.8982
0.9056
0.9208
0.9331
0.9396
0.9508
0.9550
0.9610

Table (A-22) Isobaric vapor liquid equilibrium data when using PR- EOS for two
phase of binary system MTBE (1) + Octane (2) at 101.3KPa. Temperature,T, liquid
phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1039
0.1202
0.1755
0.2471
0.2792
0.3173
0.3580
0.4206
0.4921
0.5418
0.5839
0.6151
0.6898
0.7526
0.8000
0.8704
0.9041
0.9550

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.1049
0.1214
0.1772
0.2494
0.2819
0.3202
0.3614
0.4245
0.4967
0.5469
0.5894
0.6209
0.6963
0.7597
0.8075
0.8786
0.9126
0.9640

A-21

APPENDIX A

: tables of data

Table (A-23) Isobaric vapor liquid equilibrium data when using SRK- EOS for
vapor phase and NRTL model for liquid phase of binary system MTBE(1)+
Octane(2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1059
0.1225
0.1788
0.2517
0.2845
0.3232
0.3648
0.4285
0.5014
0.5520
0.5949
0.6267
0.7028
0.7668
0.8151
0.8868
0.9211
0.9730

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4521
0.4970
0.6168
0.7135
0.7523
0.7821
0.8109
0.8441
0.8720
0.8875
0.9010
0.9084
0.9237
0.9360
0.9425
0.9538
0.9580
0.9640

Table (A-24) Isobaric vapor liquid equilibrium data when using SRK- EOS for
vapor phase and UNIQUAC model for liquid phase of binary system MTBE (1) +
Octane (2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1050
0.1215
0.1774
0.2496
0.2822
0.3206
0.3618
0.4250
0.4973
0.5474
0.5900
0.6216
0.6970
0.7605
0.8084
0.8795
0.9136
0.9650

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4521
0.4970
0.6168
0.7135
0.7523
0.7821
0.8109
0.8441
0.8720
0.8875
0.9010
0.9084
0.9237
0.9360
0.9425
0.9538
0.9580
0.9640

A-22

APPENDIX A

: tables of data

Table (A-25) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and UNIFAC model for liquid phase of binary system MTBE (1) +
Octane (2) at 101.3KPa. Temperature,T, liquid phase x1, vapor phase,y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1046
0.1210
0.1766
0.2486
0.2810
0.3192
0.3603
0.4232
0.4952
0.5452
0.5876
0.6190
0.6941
0.7574
0.8050
0.8759
0.9098
0.9610

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4521
0.4970
0.6168
0.7135
0.7523
0.7821
0.8109
0.8441
0.8720
0.8875
0.9010
0.9084
0.9237
0.9360
0.9425
0.9538
0.9580
0.9640

Table (A-26) Isobaric vapor liquid equilibrium data when using PR -EOS for vapor
phase and NRTL model for liquid phase of binary system MTBE (1) + Octane (2)
at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1056
0.1222
0.1785
0.2512
0.2839
0.3226
0.3640
0.4276
0.5004
0.5508
0.5937
0.6254
0.7014
0.7652
0.8134
0.8850
0.9192
0.9710

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4540
0.4991
0.6193
0.7164
0.7554
0.7853
0.8143
0.8476
0.8757
0.8911
0.9047
0.9121
0.9275
0.9399
0.9464
0.9577
0.9620
0.9680

A-23

APPENDIX A

: tables of data

Table (A-27) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIQUAC model for liquid phase of binary system MTBE (1)+Octane
(2) at 101.3KPa . Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1051
0.1216
0.1776
0.2499
0.2825
0.3209
0.3622
0.4254
0.4978
0.5480
0.5906
0.6222
0.6977
0.7613
0.8092
0.8804
0.9145
0.9660

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4540
0.4991
0.6193
0.7164
0.7554
0.7853
0.8143
0.8476
0.8757
0.8911
0.9047
0.9121
0.9275
0.9399
0.9464
0.9577
0.9620
0.9680

Table (A-28) Isobaric vapor liquid equilibrium data when using PR EOS for vapor
phase and UNIFAC model for liquid phase of binary system MTBE(1)+ Octane(2)
at 101.3KPa. Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1048
0.1212
0.1770
0.2491
0.2816
0.3199
0.3610
0.4241
0.4962
0.5463
0.5888
0.6203
0.6956
0.7589
0.8067
0.8777
0.9117
0.9630

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4540
0.4991
0.6193
0.7164
0.7554
0.7853
0.8143
0.8476
0.8757
0.8911
0.9047
0.9121
0.9275
0.9399
0.9464
0.9577
0.9620
0.9680

A-24

APPENDIX A

: tables of data

Table (A-29) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from NRTL model for binary system MTBE(1)+
Octane(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1072
0.1240
0.1810
0.2548
0.2880
0.3272
0.3693
0.4338
0.5076
0.5588
0.6022
0.6344
0.7115
0.7763
0.8251
0.8977
0.9325
0.9850

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4629
0.5089
0.6315
0.7305
0.7703
0.8008
0.8303
0.8642
0.8928
0.9086
0.9225
0.9301
0.9457
0.9584
0.9650
0.9765
0.9809
0.9870

Table (A-30) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from UNIQUAC model for binary system
MTBE(1)+Octane(2) at 101.3KPa.Temperature,T, liquid phase x1, vapor phase, y1
T/K

x1 lit.

x1 cal.

y1 lit.

y1cal.

398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

0.0000
0.1088
0.1259
0.1838
0.2587
0.2924
0.3322
0.3749
0.4404
0.5153
0.5673
0.6114
0.6441
0.7223
0.7881
0.8377
0.9114
0.9467
1.0000

0.0000
0.1070
0.1238
0.1807
0.2543
0.2874
0.3266
0.3685
0.4329
0.5065
0.5577
0.6010
0.6332
0.7100
0.7747
0.8235
0.8959
0.9306
0.9830

0.0000
0.4690
0.5156
0.6398
0.7401
0.7804
0.8113
0.8412
0.8756
0.9046
0.9206
0.9346
0.9423
0.9582
0.9710
0.9777
0.9894
0.9938
1.0000

0.0000
0.4606
0.5063
0.6283
0.7268
0.7664
0.7967
0.8261
0.8598
0.8883
0.9040
0.9178
0.9253
0.9410
0.9535
0.9601
0.9716
0.9759
0.9820

A-25

APPENDIX A

: tables of data

A.2 Ternary SYSTEMES:


A.2.1 ternary system ()

[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol (3)]


Table (A-31) Isobaric vapor liquid equilibrium data when using SRK- EOS for two
phase of ternary system MTBE (1) +Ethanol (2) +2-Methyl-2-propanol (3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13

0.023
0.025
0.027
0.028
0.029
0.032
0.049
0.055
0.056
0.060
0.061
0.062
0.063
0.063
0.066
0.067
0.068
0.069
0.069
0.077
0.077
0.078
0.079
0.082
0.086
0.087
0.087
0.090
0.091
0.096
0.099
0.100
0.101
0.102
0.107
0.111
0.114
0.116
0.118
0.119
0.123
0.123

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689

0.760
0.821
0.697
0.884
0.749
0.813
0.354
0.695
0.392
0.459
0.244
0.531
0.748
0.434
0.493
0.800
0.138
0.582
0.269
0.074
0.153
0.634
0.298
0.666
0.524
0.658
0.168
0.082
0.723
0.714
0.554
0.462
0.783
0.091
0.775
0.602
0.505
0.139
0.255
0.764
0.078
0.653

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394

0.095
0.107
0.108
0.119
0.121
0.132
0.166
0.211
0.190
0.204
0.191
0.216
0.230
0.214
0.228
0.249
0.206
0.243
0.216
0.217
0.230
0.270
0.244
0.282
0.253
0.292
0.256
0.243
0.310
0.319
0.325
0.317
0.338
0.269
0.349
0.356
0.351
0.321
0.340
0.373
0.326
0.381

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51

0.743
0.783
0.681
0.820
0.717
0.758
0.342
0.617
0.373
0.428
0.234
0.486
0.645
0.403
0.448
0.667
0.133
0.515
0.252
0.070
0.143
0.541
0.272
0.556
0.467
0.545
0.155
0.078
0.576
0.566
0.453
0.389
0.592
0.084
0.581
0.471
0.408
0.122
0.217
0.558
0.068
0.491

A-26

APPENDIX A

: tables of data

Table (A-31) Continued.


T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

346.24
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9

0.132
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466

0.125
0.127
0.222
0.229
0.233
0.234
0.234
0.238
0.240
0.252
0.259
0.259
0.267
0.267
0.269
0.278
0.278
0.292
0.298
0.306
0.310
0.312
0.316
0.317
0.329
0.336
0.338
0.346
0.349
0.352
0.355
0.361
0.378
0.382
0.382
0.384
0.387
0.395
0.402
0.403
0.429
0.437
0.438
0.439
0.441

0.361
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337

0.342
0.554
0.489
0.191
0.644
0.086
0.364
0.372
0.538
0.269
0.147
0.097
0.575
0.407
0.064
0.436
0.299
0.163
0.446
0.370
0.071
0.475
0.275
0.329
0.182
0.123
0.080
0.520
0.080
0.405
0.303
0.340
0.154
0.139
0.447
0.090
0.256
0.234
0.338
0.374
0.172
0.158
0.101
0.078
0.319

0.371
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724

0.359
0.383
0.521
0.513
0.537
0.509
0.514
0.542
0.549
0.549
0.549
0.545
0.571
0.573
0.552
0.586
0.580
0.586
0.600
0.606
0.593
0.616
0.616
0.620
0.625
0.626
0.626
0.639
0.636
0.638
0.645
0.652
0.662
0.664
0.659
0.665
0.667
0.674
0.679
0.679
0.694
0.698
0.701
0.703
0.700

0.294
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201

0.283
0.426
0.330
0.143
0.399
0.066
0.262
0.254
0.342
0.191
0.110
0.072
0.351
0.266
0.047
0.278
0.201
0.116
0.279
0.238
0.052
0.286
0.183
0.212
0.125
0.088
0.057
0.297
0.057
0.250
0.194
0.212
0.104
0.095
0.262
0.063
0.165
0.153
0.206
0.220
0.114
0.107
0.069
0.054
0.193

334.24

0.467

0.442

0.301

0.285

0.725

0.701

0.184

0.177

A-27

APPENDIX A

: tables of data

Table (A-32) Isobaric vapor liquid equilibrium data when using PR EOS for two
phase of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.134

0.023
0.025
0.027
0.029
0.029
0.032
0.049
0.055
0.056
0.060
0.061
0.062
0.063
0.064
0.067
0.068
0.068
0.069
0.069
0.077
0.077
0.078
0.079
0.083
0.087
0.087
0.087
0.090
0.091
0.096
0.100
0.101
0.102
0.103
0.107
0.111
0.114
0.117
0.119
0.120
0.124
0.124
0.126
0.127

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584

0.776
0.838
0.711
0.903
0.765
0.831
0.361
0.710
0.401
0.469
0.249
0.542
0.764
0.443
0.503
0.817
0.141
0.594
0.275
0.076
0.156
0.648
0.304
0.681
0.535
0.672
0.171
0.084
0.739
0.729
0.565
0.471
0.800
0.093
0.792
0.615
0.516
0.142
0.260
0.780
0.079
0.667
0.349
0.565

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396

0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.211
0.191
0.204
0.192
0.216
0.231
0.214
0.229
0.249
0.206
0.243
0.216
0.217
0.231
0.270
0.244
0.283
0.254
0.293
0.257
0.243
0.311
0.320
0.326
0.318
0.339
0.269
0.350
0.357
0.352
0.322
0.341
0.374
0.327
0.382
0.359
0.384

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.443

0.750
0.790
0.687
0.827
0.723
0.765
0.346
0.622
0.377
0.432
0.236
0.490
0.651
0.407
0.452
0.673
0.134
0.519
0.254
0.071
0.145
0.546
0.275
0.561
0.471
0.551
0.156
0.079
0.582
0.571
0.457
0.392
0.597
0.084
0.586
0.476
0.412
0.123
0.219
0.563
0.069
0.495
0.285
0.430

A-28

APPENDIX A

: tables of data

Table (A-32) Continued.


T/K
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.230
0.234
0.235
0.235
0.239
0.241
0.253
0.260
0.261
0.268
0.268
0.270
0.280
0.280
0.293
0.300
0.307
0.311
0.313
0.318
0.319
0.330
0.338
0.340
0.347
0.351
0.354
0.357
0.362
0.379
0.383
0.383
0.386
0.389
0.397
0.404
0.405
0.431
0.438
0.439
0.441
0.443
0.444

0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.195
0.657
0.088
0.372
0.379
0.549
0.275
0.150
0.099
0.588
0.415
0.065
0.445
0.305
0.166
0.455
0.378
0.073
0.485
0.281
0.336
0.186
0.126
0.081
0.531
0.081
0.413
0.310
0.348
0.157
0.142
0.456
0.092
0.261
0.239
0.346
0.381
0.175
0.162
0.104
0.079
0.326
0.291

0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.515
0.538
0.510
0.516
0.543
0.550
0.550
0.550
0.547
0.573
0.575
0.553
0.587
0.581
0.587
0.601
0.608
0.594
0.617
0.617
0.621
0.626
0.627
0.627
0.641
0.638
0.640
0.646
0.653
0.664
0.666
0.661
0.667
0.669
0.675
0.680
0.680
0.696
0.700
0.703
0.704
0.702
0.703

0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.145
0.403
0.067
0.264
0.256
0.345
0.193
0.111
0.073
0.354
0.268
0.048
0.281
0.203
0.117
0.282
0.240
0.052
0.288
0.184
0.214
0.126
0.088
0.057
0.300
0.057
0.252
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.154
0.208
0.222
0.116
0.108
0.070
0.054
0.195
0.179

A-29

APPENDIX A

: tables of data

Table (A-33) Isobaric vapor liquid equilibrium data when using SRK-EOS for
vapor phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+2Methyl-2-propanol(3)at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.134

0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.079
0.079
0.080
0.081
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.110
0.114
0.117
0.119
0.121
0.122
0.126
0.126
0.128
0.130

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584

0.781
0.843
0.716
0.909
0.769
0.836
0.363
0.714
0.403
0.471
0.250
0.545
0.768
0.446
0.506
0.822
0.142
0.598
0.277
0.076
0.157
0.652
0.306
0.685
0.539
0.676
0.172
0.085
0.743
0.733
0.569
0.474
0.805
0.094
0.797
0.618
0.519
0.143
0.262
0.785
0.080
0.671
0.352
0.569

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396

0.094
0.107
0.108
0.118
0.120
0.132
0.165
0.209
0.189
0.203
0.190
0.214
0.229
0.212
0.227
0.247
0.205
0.241
0.214
0.215
0.229
0.268
0.242
0.281
0.252
0.290
0.255
0.241
0.308
0.317
0.323
0.315
0.336
0.267
0.347
0.354
0.349
0.319
0.338
0.371
0.324
0.379
0.357
0.381

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.443

0.750
0.791
0.688
0.828
0.724
0.766
0.346
0.623
0.377
0.433
0.236
0.491
0.651
0.407
0.453
0.674
0.134
0.520
0.255
0.071
0.145
0.546
0.275
0.562
0.471
0.551
0.156
0.079
0.582
0.572
0.458
0.393
0.598
0.085
0.587
0.476
0.412
0.123
0.220
0.564
0.069
0.496
0.286
0.431

A-30

APPENDIX A

: tables of data

Table (A-33) Continued.


T/K
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.227
0.235
0.239
0.240
0.240
0.244
0.246
0.258
0.265
0.266
0.274
0.274
0.276
0.285
0.285
0.299
0.306
0.314
0.318
0.319
0.324
0.325
0.337
0.345
0.347
0.354
0.358
0.361
0.364
0.370
0.387
0.391
0.391
0.394
0.397
0.405
0.413
0.414
0.440
0.448
0.449
0.451
0.452
0.453

0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.503
0.196
0.661
0.089
0.374
0.382
0.552
0.277
0.151
0.099
0.591
0.418
0.065
0.448
0.307
0.168
0.458
0.380
0.073
0.488
0.282
0.338
0.187
0.127
0.082
0.535
0.082
0.416
0.312
0.350
0.158
0.143
0.459
0.093
0.263
0.241
0.348
0.384
0.176
0.163
0.104
0.080
0.328
0.293

0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.518
0.510
0.533
0.505
0.511
0.538
0.546
0.546
0.546
0.542
0.568
0.570
0.549
0.582
0.577
0.582
0.596
0.603
0.589
0.612
0.612
0.616
0.621
0.622
0.622
0.635
0.632
0.634
0.641
0.648
0.658
0.660
0.655
0.661
0.663
0.670
0.675
0.675
0.690
0.694
0.697
0.699
0.696
0.697

0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.333
0.145
0.403
0.067
0.264
0.257
0.345
0.193
0.111
0.073
0.355
0.268
0.048
0.281
0.203
0.118
0.282
0.240
0.052
0.289
0.185
0.214
0.126
0.088
0.057
0.300
0.057
0.253
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.155
0.208
0.223
0.116
0.108
0.070
0.054
0.195
0.179

A-31

APPENDIX A

: tables of data

Table (A-34) Isobaric vapor liquid equilibrium data when using SRK- EOS for
vapor phase and UNIQUAC
model for liquid phase of ternary system
MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3KPa. Temperature,T, liquid
phase xi, vapor phase,yi
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13

0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.101
0.102
0.103
0.104
0.109
0.113
0.116
0.119
0.121
0.122
0.126
0.126

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689

0.777
0.839
0.712
0.904
0.766
0.831
0.361
0.710
0.401
0.469
0.249
0.543
0.765
0.444
0.504
0.818
0.141
0.595
0.275
0.076
0.156
0.648
0.304
0.681
0.536
0.672
0.172
0.084
0.739
0.730
0.566
0.472
0.800
0.093
0.793
0.615
0.516
0.142
0.261
0.781
0.079
0.668

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394

0.094
0.107
0.108
0.118
0.120
0.132
0.165
0.209
0.189
0.203
0.190
0.214
0.229
0.212
0.227
0.247
0.205
0.241
0.214
0.215
0.229
0.268
0.242
0.281
0.252
0.290
0.255
0.241
0.308
0.317
0.323
0.315
0.336
0.267
0.347
0.354
0.349
0.319
0.338
0.371
0.324
0.379

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51

0.750
0.791
0.688
0.828
0.724
0.766
0.346
0.623
0.377
0.433
0.236
0.491
0.651
0.407
0.453
0.674
0.134
0.520
0.255
0.071
0.145
0.546
0.275
0.562
0.471
0.551
0.156
0.079
0.582
0.572
0.458
0.393
0.598
0.085
0.587
0.476
0.412
0.123
0.220
0.564
0.069
0.496

A-32

APPENDIX A

: tables of data

Table (A-34) continued


T/K
346.24
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.132
0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.128
0.129
0.226
0.234
0.238
0.239
0.239
0.242
0.244
0.257
0.264
0.265
0.272
0.272
0.274
0.284
0.284
0.298
0.304
0.312
0.316
0.318
0.323
0.324
0.335
0.343
0.345
0.353
0.356
0.359
0.362
0.368
0.385
0.389
0.389
0.392
0.395
0.403
0.411
0.412
0.438
0.445
0.446
0.448
0.450
0.451

0.361
0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.350
0.566
0.500
0.195
0.658
0.088
0.372
0.380
0.549
0.275
0.150
0.099
0.588
0.416
0.065
0.446
0.305
0.167
0.455
0.378
0.073
0.485
0.281
0.336
0.186
0.126
0.081
0.532
0.081
0.414
0.310
0.348
0.157
0.142
0.456
0.092
0.262
0.239
0.346
0.382
0.175
0.162
0.104
0.079
0.327
0.292

0.371
0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.357
0.381
0.518
0.510
0.533
0.505
0.511
0.538
0.546
0.546
0.546
0.542
0.568
0.570
0.549
0.582
0.577
0.582
0.596
0.603
0.589
0.612
0.612
0.616
0.621
0.622
0.622
0.635
0.632
0.634
0.641
0.648
0.658
0.660
0.655
0.661
0.663
0.670
0.675
0.675
0.690
0.694
0.697
0.699
0.696
0.697

0.294
0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.286
0.431
0.333
0.145
0.403
0.067
0.264
0.257
0.345
0.193
0.111
0.073
0.355
0.268
0.048
0.281
0.203
0.118
0.282
0.240
0.052
0.289
0.185
0.214
0.126
0.088
0.057
0.300
0.057
0.253
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.155
0.208
0.223
0.116
0.108
0.070
0.054
0.195
0.179

A-33

APPENDIX A

: tables of data

Table (A-35) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and UNIFAC
model for liquid phase of ternary syetem
MTBE(1)+Ethanol (2)+2-Metyl-2-propanol(3) at 101.3 KPa. Temperature,T, liquid
phase xi, vapor phase,yi
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132

0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.063
0.064
0.067
0.068
0.069
0.070
0.070
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.091
0.092
0.097
0.101
0.102
0.103
0.104
0.109
0.113
0.115
0.118
0.120
0.121
0.125
0.125
0.127

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361

0.776
0.838
0.711
0.903
0.765
0.831
0.361
0.710
0.401
0.469
0.249
0.542
0.764
0.443
0.503
0.817
0.141
0.594
0.275
0.076
0.156
0.648
0.304
0.681
0.535
0.672
0.171
0.084
0.739
0.729
0.565
0.471
0.800
0.093
0.792
0.615
0.516
0.142
0.260
0.780
0.079
0.667
0.349

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371

0.094
0.107
0.108
0.118
0.120
0.132
0.165
0.209
0.189
0.203
0.190
0.214
0.229
0.212
0.227
0.247
0.205
0.241
0.214
0.215
0.229
0.268
0.242
0.281
0.252
0.290
0.255
0.241
0.308
0.317
0.323
0.315
0.336
0.267
0.347
0.354
0.349
0.319
0.338
0.371
0.324
0.379
0.357

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294

0.750
0.791
0.688
0.828
0.724
0.766
0.346
0.623
0.377
0.433
0.236
0.491
0.651
0.407
0.453
0.674
0.134
0.520
0.255
0.071
0.145
0.546
0.275
0.562
0.471
0.551
0.156
0.079
0.582
0.572
0.458
0.393
0.598
0.085
0.587
0.476
0.412
0.123
0.220
0.564
0.069
0.496
0.286

A-34

APPENDIX A

: tables of data

Table (A-35) continued


T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.129
0.225
0.233
0.237
0.238
0.238
0.241
0.243
0.256
0.263
0.264
0.271
0.271
0.273
0.283
0.283
0.296
0.303
0.311
0.315
0.316
0.321
0.322
0.334
0.342
0.343
0.351
0.355
0.358
0.361
0.367
0.384
0.388
0.388
0.391
0.393
0.401
0.409
0.410
0.436
0.443
0.444
0.446
0.448
0.449

0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.565
0.499
0.195
0.657
0.088
0.372
0.379
0.549
0.275
0.150
0.099
0.588
0.415
0.065
0.445
0.305
0.166
0.455
0.378
0.073
0.485
0.281
0.336
0.186
0.126
0.081
0.531
0.081
0.413
0.310
0.348
0.157
0.142
0.456
0.092
0.261
0.239
0.346
0.381
0.175
0.162
0.104
0.079
0.326
0.291

0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.381
0.518
0.510
0.533
0.505
0.511
0.538
0.546
0.546
0.546
0.542
0.568
0.570
0.549
0.582
0.577
0.582
0.596
0.603
0.589
0.612
0.612
0.616
0.621
0.622
0.622
0.635
0.632
0.634
0.641
0.648
0.658
0.660
0.655
0.661
0.663
0.670
0.675
0.675
0.690
0.694
0.697
0.699
0.696
0.697

0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.431
0.333
0.145
0.403
0.067
0.264
0.257
0.345
0.193
0.111
0.073
0.355
0.268
0.048
0.281
0.203
0.118
0.282
0.240
0.052
0.289
0.185
0.214
0.126
0.088
0.057
0.300
0.057
0.253
0.196
0.214
0.105
0.096
0.264
0.063
0.167
0.155
0.208
0.223
0.116
0.108
0.070
0.054
0.195
0.179

A-35

APPENDIX A

: tables of data

Table (A-36) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+2Methyl-2-propanol(3)at101.3 KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24
345.22

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.030
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.070
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.130
0.130
0.132
0.134

0.023
0.025
0.027
0.029
0.030
0.033
0.051
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.079
0.079
0.080
0.081
0.085
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.110
0.114
0.117
0.120
0.122
0.122
0.126
0.126
0.128
0.130

0.802
0.866
0.735
0.933
0.790
0.858
0.373
0.733
0.414
0.484
0.257
0.560
0.789
0.458
0.520
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584

0.784
0.847
0.719
0.912
0.773
0.839
0.365
0.717
0.405
0.473
0.251
0.548
0.772
0.448
0.509
0.825
0.143
0.600
0.278
0.076
0.157
0.654
0.307
0.688
0.541
0.679
0.173
0.085
0.746
0.736
0.571
0.476
0.808
0.094
0.800
0.621
0.521
0.144
0.263
0.788
0.080
0.674
0.353
0.571

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.330
0.336
0.328
0.350
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396

0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.212
0.191
0.205
0.192
0.217
0.231
0.215
0.229
0.250
0.207
0.244
0.217
0.218
0.231
0.271
0.245
0.284
0.254
0.293
0.257
0.244
0.312
0.320
0.326
0.318
0.340
0.270
0.351
0.357
0.352
0.322
0.342
0.375
0.327
0.383
0.360
0.385

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.670
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.490
0.424
0.127
0.226
0.580
0.071
0.510
0.294
0.443

0.758
0.799
0.695
0.837
0.732
0.774
0.350
0.629
0.381
0.437
0.239
0.496
0.658
0.411
0.458
0.681
0.136
0.525
0.257
0.072
0.146
0.552
0.278
0.568
0.476
0.557
0.158
0.080
0.588
0.577
0.463
0.397
0.604
0.085
0.593
0.481
0.416
0.125
0.222
0.570
0.070
0.501
0.289
0.435

A-36

APPENDIX A

: tables of data

Table (A-36) continued


T/K
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.227
0.235
0.239
0.240
0.240
0.244
0.246
0.259
0.265
0.266
0.274
0.274
0.276
0.286
0.286
0.299
0.306
0.314
0.318
0.320
0.325
0.326
0.337
0.345
0.347
0.355
0.359
0.362
0.365
0.370
0.388
0.392
0.392
0.395
0.398
0.405
0.413
0.414
0.440
0.448
0.449
0.451
0.453
0.454

0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.460
0.315
0.172
0.470
0.390
0.075
0.501
0.290
0.347
0.192
0.130
0.084
0.549
0.084
0.427
0.320
0.359
0.162
0.147
0.471
0.095
0.270
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.505
0.197
0.664
0.089
0.376
0.383
0.555
0.278
0.152
0.100
0.594
0.420
0.066
0.450
0.308
0.168
0.460
0.381
0.073
0.490
0.284
0.339
0.188
0.127
0.082
0.537
0.082
0.418
0.313
0.351
0.158
0.144
0.461
0.093
0.264
0.242
0.349
0.385
0.177
0.163
0.105
0.080
0.330
0.294

0.539
0.531
0.555
0.526
0.532
0.560
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.600
0.606
0.620
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.660
0.667
0.674
0.685
0.687
0.682
0.688
0.690
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.523
0.516
0.539
0.511
0.517
0.544
0.552
0.552
0.552
0.548
0.574
0.576
0.554
0.588
0.583
0.588
0.602
0.609
0.595
0.619
0.619
0.622
0.627
0.628
0.628
0.642
0.639
0.641
0.648
0.654
0.665
0.667
0.662
0.668
0.670
0.677
0.682
0.682
0.697
0.701
0.704
0.706
0.703
0.704

0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.260
0.202
0.220
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.337
0.146
0.408
0.068
0.267
0.259
0.349
0.195
0.112
0.074
0.358
0.271
0.048
0.284
0.205
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.089
0.058
0.303
0.058
0.255
0.198
0.216
0.106
0.097
0.267
0.064
0.169
0.156
0.210
0.225
0.117
0.109
0.071
0.055
0.197
0.181

A-37

APPENDIX A

: tables of data

Table (A-37) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIQUAC model for liquid phase of ternary MTBE(1)+Ethanol(2)+2Methyl-2-propanol(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.310
342.82
348.40
343.56
346.24
345.22

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132
0.134

0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.109
0.113
0.116
0.119
0.121
0.122
0.126
0.126
0.128
0.130

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361
0.584

0.779
0.841
0.714
0.906
0.767
0.833
0.362
0.712
0.402
0.470
0.250
0.544
0.766
0.445
0.505
0.820
0.142
0.596
0.276
0.076
0.156
0.650
0.305
0.683
0.537
0.674
0.172
0.084
0.741
0.731
0.567
0.473
0.802
0.093
0.794
0.617
0.518
0.143
0.261
0.783
0.080
0.669
0.351
0.567

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371
0.396

0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.212
0.191
0.205
0.192
0.217
0.231
0.215
0.229
0.250
0.207
0.244
0.217
0.218
0.231
0.271
0.245
0.284
0.254
0.293
0.257
0.244
0.312
0.320
0.326
0.318
0.340
0.270
0.351
0.357
0.352
0.322
0.342
0.375
0.327
0.383
0.360
0.385

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294
0.443

0.758
0.799
0.695
0.837
0.732
0.774
0.350
0.629
0.381
0.437
0.239
0.496
0.658
0.411
0.458
0.681
0.136
0.525
0.257
0.072
0.146
0.552
0.278
0.568
0.476
0.557
0.158
0.080
0.588
0.577
0.463
0.397
0.604
0.085
0.593
0.481
0.416
0.125
0.222
0.570
0.070
0.501
0.289
0.435

A-38

APPENDIX A

: tables of data

Table (A-37) continued.


T/K
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.227
0.234
0.238
0.239
0.239
0.243
0.245
0.257
0.264
0.265
0.273
0.273
0.275
0.285
0.285
0.298
0.305
0.313
0.317
0.318
0.323
0.324
0.336
0.344
0.346
0.353
0.357
0.360
0.363
0.369
0.386
0.390
0.390
0.393
0.396
0.404
0.411
0.412
0.439
0.446
0.447
0.449
0.451
0.452

0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.501
0.195
0.659
0.088
0.373
0.381
0.551
0.276
0.151
0.099
0.589
0.417
0.065
0.447
0.306
0.167
0.456
0.379
0.073
0.486
0.282
0.337
0.186
0.126
0.082
0.533
0.082
0.415
0.311
0.349
0.157
0.143
0.457
0.092
0.262
0.240
0.347
0.383
0.176
0.162
0.104
0.080
0.327
0.292

0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.523
0.516
0.539
0.511
0.517
0.544
0.552
0.552
0.552
0.548
0.574
0.576
0.554
0.588
0.583
0.588
0.602
0.609
0.595
0.619
0.619
0.622
0.627
0.628
0.628
0.642
0.639
0.641
0.648
0.654
0.665
0.667
0.662
0.668
0.670
0.677
0.682
0.682
0.697
0.701
0.704
0.706
0.703
0.704

0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.337
0.146
0.408
0.068
0.267
0.259
0.349
0.195
0.112
0.074
0.358
0.271
0.048
0.284
0.205
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.089
0.058
0.303
0.058
0.255
0.198
0.216
0.106
0.097
0.267
0.064
0.169
0.156
0.210
0.225
0.117
0.109
0.071
0.055
0.197
0.181

A-39

APPENDIX A

: tables of data

Table (A-38) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIFAC model for liquid phase of for ternary
MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3 KPa. Temperature,T,
liquid phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132

0.023
0.025
0.027
0.029
0.030
0.033
0.050
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.078
0.078
0.079
0.080
0.084
0.088
0.089
0.089
0.092
0.093
0.098
0.101
0.102
0.103
0.104
0.109
0.113
0.116
0.119
0.121
0.122
0.126
0.126
0.128

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361

0.780
0.842
0.714
0.907
0.768
0.834
0.363
0.712
0.402
0.470
0.250
0.544
0.767
0.445
0.505
0.820
0.142
0.597
0.276
0.076
0.156
0.650
0.305
0.683
0.538
0.675
0.172
0.085
0.742
0.732
0.568
0.473
0.803
0.093
0.795
0.617
0.518
0.143
0.261
0.783
0.080
0.670
0.351

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371

0.095
0.108
0.109
0.119
0.121
0.133
0.167
0.212
0.191
0.205
0.192
0.217
0.231
0.215
0.229
0.250
0.207
0.244
0.217
0.218
0.231
0.271
0.245
0.284
0.254
0.293
0.257
0.244
0.312
0.320
0.326
0.318
0.340
0.270
0.351
0.357
0.352
0.322
0.342
0.375
0.327
0.383
0.360

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294

0.758
0.799
0.695
0.837
0.732
0.774
0.350
0.629
0.381
0.437
0.239
0.496
0.658
0.411
0.458
0.681
0.136
0.525
0.257
0.072
0.146
0.552
0.278
0.568
0.476
0.557
0.158
0.080
0.588
0.577
0.463
0.397
0.604
0.085
0.593
0.481
0.416
0.125
0.222
0.570
0.070
0.501
0.289

A-40

APPENDIX A

: tables of data

Table (A-38) continued.


T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.129
0.226
0.234
0.238
0.239
0.239
0.242
0.244
0.257
0.264
0.265
0.272
0.272
0.274
0.284
0.284
0.298
0.304
0.312
0.316
0.318
0.323
0.324
0.335
0.343
0.345
0.353
0.356
0.359
0.362
0.368
0.385
0.389
0.389
0.392
0.395
0.403
0.411
0.412
0.438
0.445
0.446
0.448
0.450
0.451

0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.568
0.502
0.195
0.660
0.088
0.373
0.381
0.551
0.276
0.151
0.099
0.590
0.417
0.065
0.447
0.306
0.167
0.457
0.379
0.073
0.487
0.282
0.337
0.187
0.126
0.082
0.534
0.082
0.415
0.311
0.349
0.157
0.143
0.458
0.092
0.262
0.240
0.347
0.383
0.176
0.162
0.104
0.080
0.328
0.293

0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.385
0.523
0.516
0.539
0.511
0.517
0.544
0.552
0.552
0.552
0.548
0.574
0.576
0.554
0.588
0.583
0.588
0.602
0.609
0.595
0.619
0.619
0.622
0.627
0.628
0.628
0.642
0.639
0.641
0.648
0.654
0.665
0.667
0.662
0.668
0.670
0.677
0.682
0.682
0.697
0.701
0.704
0.706
0.703
0.704

0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.435
0.337
0.146
0.408
0.068
0.267
0.259
0.349
0.195
0.112
0.074
0.358
0.271
0.048
0.284
0.205
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.089
0.058
0.303
0.058
0.255
0.198
0.216
0.106
0.097
0.267
0.064
0.169
0.156
0.210
0.225
0.117
0.109
0.071
0.055
0.197
0.181

A-41

APPENDIX A

: tables of data

Table (A-39) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from NRTL model for
Ternary
MTBE(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3KPa.Temperature,T, liquid
phase xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.03
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.07
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132

0.024
0.026
0.027
0.029
0.030
0.033
0.051
0.057
0.058
0.062
0.063
0.064
0.065
0.066
0.069
0.070
0.071
0.072
0.072
0.079
0.079
0.080
0.081
0.085
0.089
0.090
0.090
0.093
0.094
0.099
0.103
0.104
0.105
0.106
0.111
0.115
0.118
0.121
0.123
0.124
0.128
0.128
0.129

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361

0.793
0.856
0.727
0.923
0.781
0.849
0.369
0.725
0.409
0.479
0.254
0.554
0.780
0.453
0.514
0.835
0.144
0.607
0.281
0.077
0.159
0.662
0.311
0.695
0.547
0.686
0.175
0.086
0.755
0.745
0.578
0.482
0.817
0.095
0.809
0.628
0.527
0.145
0.266
0.797
0.081
0.681
0.357

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371

0.096
0.109
0.110
0.121
0.123
0.135
0.169
0.215
0.194
0.208
0.195
0.219
0.234
0.217
0.232
0.253
0.210
0.247
0.219
0.220
0.234
0.275
0.248
0.287
0.258
0.297
0.261
0.247
0.316
0.325
0.331
0.323
0.344
0.274
0.355
0.362
0.357
0.327
0.346
0.380
0.332
0.388
0.365

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294

0.764
0.805
0.700
0.843
0.737
0.779
0.352
0.634
0.384
0.440
0.240
0.499
0.663
0.414
0.461
0.685
0.136
0.529
0.259
0.072
0.147
0.556
0.280
0.572
0.480
0.561
0.159
0.080
0.592
0.582
0.466
0.400
0.608
0.086
0.597
0.485
0.419
0.126
0.224
0.574
0.070
0.504
0.291

A-42

APPENDIX A

: tables of data

Table (A-39) continued.


T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.131
0.230
0.237
0.241
0.242
0.242
0.246
0.248
0.261
0.268
0.269
0.277
0.277
0.279
0.288
0.288
0.302
0.309
0.317
0.321
0.323
0.328
0.329
0.340
0.348
0.350
0.358
0.362
0.365
0.368
0.374
0.391
0.395
0.395
0.398
0.401
0.409
0.417
0.418
0.444
0.452
0.453
0.455
0.457
0.458

0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.578
0.510
0.199
0.672
0.090
0.380
0.388
0.561
0.281
0.153
0.101
0.600
0.424
0.066
0.455
0.312
0.170
0.465
0.386
0.074
0.495
0.287
0.343
0.190
0.129
0.083
0.543
0.083
0.422
0.316
0.355
0.160
0.145
0.466
0.094
0.267
0.244
0.353
0.390
0.179
0.165
0.106
0.081
0.333
0.298

0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.390
0.530
0.523
0.546
0.518
0.523
0.551
0.559
0.559
0.559
0.555
0.582
0.584
0.562
0.596
0.590
0.596
0.610
0.617
0.603
0.627
0.627
0.631
0.636
0.637
0.637
0.650
0.647
0.649
0.656
0.663
0.674
0.676
0.671
0.677
0.679
0.686
0.691
0.691
0.707
0.710
0.713
0.715
0.712
0.713

0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.438
0.339
0.147
0.410
0.068
0.269
0.261
0.351
0.197
0.113
0.074
0.361
0.273
0.048
0.286
0.207
0.120
0.287
0.244
0.053
0.294
0.188
0.218
0.129
0.090
0.058
0.306
0.058
0.257
0.200
0.218
0.107
0.098
0.269
0.064
0.170
0.157
0.212
0.226
0.118
0.110
0.071
0.055
0.199
0.182

A-43

APPENDIX A

: tables of data

Table (A-40) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from UNIQUAC model for ternary MTBE
(1)+Ethanol(2)+2-Methyl-2-propanol(3) at 101.3 KPa.Temperature,T, liquid phase
xi, vapor phase, yi
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.024
0.026
0.028
0.030
0.031
0.034
0.052
0.058
0.059
0.063
0.064
0.065
0.066
0.067
0.070
0.071
0.072
0.073
0.073
0.081
0.081
0.082
0.083
0.087
0.091
0.092
0.092
0.095
0.096
0.101
0.105
0.106
0.107
0.108
0.113
0.117
0.12
0.123
0.125
0.126
0.13
0.13
0.132

0.023
0.025
0.027
0.029
0.030
0.033
0.051
0.056
0.057
0.061
0.062
0.063
0.064
0.065
0.068
0.069
0.070
0.071
0.071
0.079
0.079
0.080
0.081
0.085
0.088
0.089
0.089
0.092
0.093
0.098
0.102
0.103
0.104
0.105
0.110
0.114
0.117
0.120
0.122
0.122
0.126
0.126
0.128

0.802
0.866
0.735
0.933
0.79
0.858
0.373
0.733
0.414
0.484
0.257
0.56
0.789
0.458
0.52
0.844
0.146
0.614
0.284
0.078
0.161
0.669
0.314
0.703
0.553
0.694
0.177
0.087
0.763
0.753
0.584
0.487
0.826
0.096
0.818
0.635
0.533
0.147
0.269
0.806
0.082
0.689
0.361

0.787
0.850
0.721
0.915
0.775
0.842
0.366
0.719
0.406
0.475
0.252
0.549
0.774
0.449
0.510
0.828
0.143
0.602
0.279
0.077
0.158
0.656
0.308
0.690
0.542
0.681
0.174
0.085
0.749
0.739
0.573
0.478
0.810
0.094
0.802
0.623
0.523
0.144
0.264
0.791
0.080
0.676
0.354

0.098
0.111
0.112
0.123
0.125
0.137
0.172
0.218
0.197
0.211
0.198
0.223
0.238
0.221
0.236
0.257
0.213
0.251
0.223
0.224
0.238
0.279
0.252
0.292
0.262
0.302
0.265
0.251
0.321
0.33
0.336
0.328
0.35
0.278
0.361
0.368
0.363
0.332
0.352
0.386
0.337
0.394
0.371

0.096
0.109
0.110
0.121
0.123
0.134
0.169
0.214
0.193
0.207
0.194
0.219
0.233
0.217
0.232
0.252
0.209
0.246
0.219
0.220
0.233
0.274
0.247
0.286
0.257
0.296
0.260
0.246
0.315
0.324
0.330
0.322
0.343
0.273
0.354
0.361
0.356
0.326
0.345
0.379
0.331
0.387
0.364

0.772
0.814
0.708
0.852
0.745
0.788
0.356
0.641
0.388
0.445
0.243
0.505
0.67
0.419
0.466
0.693
0.138
0.535
0.262
0.073
0.149
0.562
0.283
0.578
0.485
0.567
0.161
0.081
0.599
0.588
0.471
0.404
0.615
0.087
0.604
0.49
0.424
0.127
0.226
0.58
0.071
0.51
0.294

0.760
0.801
0.697
0.838
0.733
0.775
0.350
0.631
0.382
0.438
0.239
0.497
0.659
0.412
0.459
0.682
0.136
0.526
0.258
0.072
0.147
0.553
0.278
0.569
0.477
0.558
0.158
0.080
0.589
0.579
0.463
0.398
0.605
0.086
0.594
0.482
0.417
0.125
0.222
0.571
0.070
0.502
0.289

A-44

APPENDIX A

: tables of data

Table (A-40) continued.


T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.134
0.234
0.242
0.246
0.247
0.247
0.251
0.253
0.266
0.273
0.274
0.282
0.282
0.284
0.294
0.294
0.308
0.315
0.323
0.327
0.329
0.334
0.335
0.347
0.355
0.357
0.365
0.369
0.372
0.375
0.381
0.399
0.403
0.403
0.406
0.409
0.417
0.425
0.426
0.453
0.461
0.462
0.464
0.466
0.467

0.130
0.227
0.235
0.239
0.240
0.240
0.244
0.246
0.259
0.265
0.266
0.274
0.274
0.276
0.286
0.286
0.299
0.306
0.314
0.318
0.320
0.325
0.326
0.337
0.345
0.347
0.355
0.359
0.362
0.365
0.370
0.388
0.392
0.392
0.395
0.398
0.405
0.413
0.414
0.440
0.448
0.449
0.451
0.453
0.454

0.584
0.516
0.201
0.679
0.091
0.384
0.392
0.567
0.284
0.155
0.102
0.607
0.429
0.067
0.46
0.315
0.172
0.47
0.39
0.075
0.501
0.29
0.347
0.192
0.13
0.084
0.549
0.084
0.427
0.32
0.359
0.162
0.147
0.471
0.095
0.27
0.247
0.357
0.394
0.181
0.167
0.107
0.082
0.337
0.301

0.573
0.506
0.197
0.666
0.089
0.377
0.385
0.556
0.279
0.152
0.100
0.595
0.421
0.066
0.451
0.309
0.169
0.461
0.383
0.074
0.491
0.284
0.340
0.188
0.128
0.082
0.539
0.082
0.419
0.314
0.352
0.159
0.144
0.462
0.093
0.265
0.242
0.350
0.387
0.178
0.164
0.105
0.080
0.331
0.295

0.396
0.539
0.531
0.555
0.526
0.532
0.56
0.568
0.568
0.568
0.564
0.591
0.593
0.571
0.606
0.6
0.606
0.62
0.627
0.613
0.637
0.637
0.641
0.646
0.647
0.647
0.661
0.658
0.66
0.667
0.674
0.685
0.687
0.682
0.688
0.69
0.697
0.702
0.702
0.718
0.722
0.725
0.727
0.724
0.725

0.388
0.529
0.521
0.544
0.516
0.522
0.549
0.557
0.557
0.557
0.553
0.580
0.582
0.560
0.594
0.589
0.594
0.608
0.615
0.601
0.625
0.625
0.629
0.634
0.635
0.635
0.648
0.645
0.647
0.654
0.661
0.672
0.674
0.669
0.675
0.677
0.684
0.689
0.689
0.704
0.708
0.711
0.713
0.710
0.711

0.443
0.343
0.149
0.415
0.069
0.272
0.264
0.355
0.199
0.114
0.075
0.365
0.276
0.049
0.289
0.209
0.121
0.29
0.247
0.054
0.297
0.19
0.22
0.13
0.091
0.059
0.309
0.059
0.26
0.202
0.22
0.108
0.099
0.272
0.065
0.172
0.159
0.214
0.229
0.119
0.111
0.072
0.056
0.201
0.184

0.436
0.338
0.147
0.408
0.068
0.268
0.260
0.349
0.196
0.112
0.074
0.359
0.272
0.048
0.284
0.206
0.119
0.285
0.243
0.053
0.292
0.187
0.216
0.128
0.090
0.058
0.304
0.058
0.256
0.199
0.216
0.106
0.097
0.268
0.064
0.169
0.156
0.211
0.225
0.117
0.109
0.071
0.055
0.198
0.181

A-45

APPENDIX A

: tables of data

A.2.2 ternary system ()

[Ethanol (1) +2-methyl-2-propanol (2) +Octane (3)]


Table (A-41) Isobaric vapor liquid equilibrium data when using SRK- EOS for two
phase of ternary system Ethanol (1) +2-Methyl-2-propanol(2)+Octane(3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08
353.89

x1 lit.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160
0.257

x1 cal.
0.039
0.046
0.055
0.059
0.067
0.067
0.068
0.069
0.074
0.076
0.077
0.077
0.077
0.078
0.080
0.080
0.082
0.083
0.083
0.084
0.085
0.087
0.087
0.088
0.088
0.090
0.090
0.093
0.093
0.097
0.097
0.099
0.100
0.102
0.104
0.105
0.109
0.112
0.122
0.128
0.132
0.137
0.140
0.151
0.242

x2 lit.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460
0.099

x2 cal.
0.784
0.754
0.722
0.608
0.573
0.675
0.336
0.759
0.293
0.640
0.739
0.817
0.289
0.476
0.675
0.548
0.807
0.494
0.237
0.565
0.240
0.675
0.715
0.601
0.424
0.408
0.640
0.790
0.182
0.455
0.512
0.557
0.636
0.399
0.600
0.335
0.334
0.453
0.241
0.500
0.281
0.471
0.594
0.434
0.093

A-46

y1 lit.
0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283
0.669

y1 cal.
0.057
0.070
0.086
0.099
0.114
0.097
0.196
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.293
0.141
0.287
0.120
0.112
0.135
0.194
0.200
0.132
0.108
0.366
0.187
0.174
0.162
0.144
0.221
0.156
0.264
0.261
0.217
0.357
0.216
0.343
0.241
0.200
0.272
0.642

y2 lit.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543
0.128

y2 cal.
0.838
0.819
0.796
0.716
0.694
0.741
0.557
0.786
0.517
0.718
0.769
0.825
0.509
0.627
0.730
0.665
0.814
0.633
0.456
0.667
0.450
0.724
0.748
0.685
0.580
0.572
0.701
0.799
0.367
0.596
0.624
0.648
0.690
0.555
0.667
0.497
0.500
0.571
0.391
0.586
0.418
0.556
0.631
0.521
0.123

APPENDIX A

: tables of data

Table (A-41) continued.


T/K
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

x1 lit.
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

x1 cal.
0.244
0.254
0.258
0.260
0.265
0.268
0.268
0.278
0.293
0.295
0.295
0.298
0.319
0.323
0.334
0.336
0.338
0.352
0.353
0.362
0.380
0.382
0.385
0.395
0.401
0.408
0.408
0.419
0.419
0.422
0.430
0.430
0.440
0.444
0.448
0.455
0.455
0.461
0.462
0.469
0.474
0.485
0.486

x2 lit.
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

x2 cal.
0.471
0.301
0.564
0.532
0.286
0.209
0.062
0.406
0.270
0.478
0.200
0.067
0.091
0.400
0.181
0.421
0.342
0.256
0.475
0.335
0.476
0.268
0.079
0.420
0.166
0.264
0.378
0.432
0.429
0.248
0.188
0.066
0.360
0.458
0.302
0.065
0.315
0.380
0.377
0.071
0.164
0.302
0.414

A-47

y1 lit.
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

y1 cal.
0.346
0.453
0.316
0.331
0.474
0.539
0.690
0.404
0.508
0.381
0.560
0.693
0.677
0.440
0.599
0.434
0.481
0.543
0.419
0.500
0.438
0.551
0.706
0.469
0.633
0.564
0.497
0.482
0.482
0.581
0.627
0.723
0.523
0.490
0.559
0.728
0.555
0.527
0.528
0.726
0.658
0.576
0.535

y2 lit.
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

y2 cal.
0.474
0.332
0.544
0.515
0.312
0.240
0.078
0.406
0.281
0.456
0.219
0.079
0.100
0.380
0.184
0.395
0.327
0.250
0.439
0.312
0.435
0.249
0.077
0.379
0.155
0.240
0.339
0.386
0.385
0.222
0.168
0.060
0.316
0.419
0.262
0.058
0.272
0.332
0.329
0.061
0.140
0.256
0.368

APPENDIX A

: tables of data

Table (A-42) Isobaric vapor liquid equilibrium data when using PR-EOS for two
phase of ternary system Ethanol(1)+2-Methyl-2-propanol(2)+Octane(3) at
101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08

x1 lit.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160

x1 cal.
0.040
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.115
0.125
0.131
0.135
0.141
0.144
0.154

x2 lit.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460

x2 cal.

y1 lit.

0.797
0.767
0.735
0.619
0.583
0.687
0.341
0.772
0.298
0.651
0.752
0.830
0.293
0.484
0.687
0.557
0.821
0.503
0.241
0.574
0.244
0.687
0.727
0.611
0.432
0.415
0.651
0.804
0.185
0.462
0.521
0.567
0.646
0.406
0.610
0.340
0.339
0.460
0.246
0.508
0.286
0.479
0.604
0.441

A-48

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283

y1 cal.
0.057
0.070
0.086
0.099
0.114
0.097
0.196
0.087
0.232
0.114
0.099
0.089
0.235
0.157
0.112
0.134
0.097
0.159
0.293
0.141
0.287
0.120
0.112
0.136
0.194
0.200
0.133
0.108
0.366
0.187
0.174
0.162
0.144
0.221
0.157
0.264
0.261
0.217
0.357
0.216
0.343
0.241
0.200
0.272

y2 lit.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543

y2 cal.
0.846
0.827
0.803
0.723
0.701
0.748
0.562
0.794
0.522
0.725
0.776
0.832
0.514
0.633
0.737
0.671
0.822
0.639
0.461
0.673
0.454
0.731
0.755
0.691
0.586
0.577
0.708
0.806
0.371
0.602
0.630
0.654
0.697
0.560
0.674
0.501
0.504
0.576
0.395
0.591
0.422
0.561
0.637
0.526

APPENDIX A

: tables of data

Table (A-42) continued.


T/K
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

x1 lit.
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

x1 cal.
0.248
0.250
0.260
0.264
0.266
0.272
0.275
0.275
0.284
0.300
0.303
0.303
0.306
0.327
0.331
0.342
0.344
0.346
0.361
0.362
0.371
0.389
0.391
0.394
0.405
0.411
0.418
0.418
0.429
0.429
0.432
0.441
0.441
0.451
0.455
0.459
0.466
0.467
0.472
0.473
0.480
0.486
0.496
0.497

x2 lit.
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

x2 cal.

y1 lit.

0.095
0.479
0.306
0.573
0.541
0.291
0.213
0.063
0.413
0.274
0.486
0.203
0.068
0.092
0.407
0.184
0.428
0.348
0.261
0.483
0.340
0.484
0.272
0.081
0.427
0.169
0.269
0.385
0.439
0.436
0.252
0.191
0.067
0.366
0.466
0.307
0.066
0.320
0.386
0.384
0.072
0.167
0.307
0.421

A-49

0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

y1 cal.
0.643
0.346
0.454
0.316
0.332
0.475
0.539
0.691
0.405
0.508
0.382
0.560
0.694
0.678
0.440
0.600
0.434
0.481
0.544
0.419
0.501
0.438
0.552
0.706
0.470
0.633
0.565
0.498
0.482
0.482
0.581
0.628
0.724
0.524
0.490
0.559
0.728
0.555
0.528
0.529
0.727
0.658
0.577
0.535

y2 lit.
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

y2 cal.
0.124
0.478
0.335
0.549
0.520
0.315
0.242
0.078
0.409
0.284
0.461
0.221
0.079
0.101
0.383
0.186
0.399
0.330
0.253
0.443
0.315
0.439
0.252
0.077
0.382
0.157
0.242
0.342
0.389
0.388
0.224
0.169
0.061
0.319
0.423
0.264
0.058
0.275
0.335
0.332
0.062
0.141
0.258
0.372

APPENDIX A

: tables of data

Table (A-43) Isobaric vapor liquid equilibrium data when using SRK-EOS for
vapor phase and NRTL model for liquid phase of ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08

x1 lit.
0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149
0.160

x1 cal.
0.040
0.048
0.057
0.062
0.069
0.069
0.070
0.071
0.077
0.079
0.080
0.080
0.080
0.081
0.083
0.083
0.085
0.086
0.086
0.087
0.088
0.090
0.090
0.091
0.092
0.094
0.094
0.097
0.097
0.101
0.101
0.103
0.104
0.106
0.107
0.109
0.113
0.116
0.127
0.133
0.137
0.143
0.146
0.156

x2 lit.
0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630
0.460

x2 cal.

y1 lit.

0.799
0.770
0.737
0.620
0.585
0.689
0.342
0.774
0.299
0.653
0.754
0.833
0.294
0.486
0.689
0.559
0.823
0.504
0.241
0.576
0.244
0.689
0.729
0.613
0.433
0.417
0.653
0.806
0.186
0.464
0.522
0.569
0.648
0.407
0.612
0.342
0.341
0.462
0.246
0.510
0.287
0.480
0.606
0.443

A-50

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208
0.283

y1 cal.
0.057
0.070
0.086
0.099
0.114
0.097
0.195
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.292
0.141
0.286
0.120
0.112
0.135
0.194
0.199
0.132
0.107
0.365
0.187
0.173
0.162
0.144
0.220
0.156
0.263
0.261
0.217
0.356
0.216
0.342
0.240
0.199
0.271

y2 lit.
0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658
0.543

y2 cal.
0.847
0.828
0.804
0.724
0.702
0.749
0.563
0.795
0.522
0.726
0.777
0.833
0.515
0.634
0.737
0.672
0.823
0.640
0.461
0.673
0.454
0.732
0.756
0.692
0.586
0.578
0.708
0.807
0.371
0.603
0.631
0.655
0.698
0.561
0.674
0.502
0.505
0.577
0.395
0.592
0.422
0.562
0.638
0.526

APPENDIX A

: tables of data

Table (A-43) continued.


T/K
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

x1 lit.
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

x1 cal.
0.251
0.253
0.264
0.268
0.270
0.276
0.278
0.278
0.288
0.304
0.307
0.307
0.310
0.331
0.335
0.347
0.349
0.351
0.365
0.366
0.376
0.395
0.397
0.400
0.410
0.416
0.424
0.424
0.435
0.435
0.438
0.446
0.446
0.457
0.461
0.465
0.472
0.473
0.479
0.480
0.487
0.492
0.503
0.504

x2 lit.
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

x2 cal.

y1 lit.

0.095
0.480
0.307
0.575
0.543
0.291
0.214
0.063
0.415
0.275
0.488
0.204
0.068
0.092
0.408
0.185
0.429
0.349
0.262
0.485
0.342
0.486
0.273
0.081
0.428
0.169
0.269
0.386
0.441
0.438
0.253
0.191
0.067
0.367
0.468
0.308
0.066
0.321
0.388
0.385
0.072
0.167
0.308
0.422

A-51

0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

y1 cal.
0.641
0.345
0.452
0.315
0.331
0.473
0.537
0.689
0.403
0.507
0.380
0.559
0.692
0.675
0.439
0.598
0.433
0.480
0.542
0.418
0.499
0.437
0.550
0.704
0.468
0.631
0.563
0.496
0.481
0.481
0.580
0.626
0.721
0.522
0.489
0.558
0.726
0.554
0.526
0.527
0.724
0.656
0.575
0.534

y2 lit.
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

y2 cal.
0.124
0.479
0.335
0.549
0.520
0.315
0.242
0.078
0.410
0.284
0.461
0.221
0.079
0.101
0.384
0.186
0.399
0.330
0.253
0.444
0.315
0.440
0.252
0.078
0.383
0.157
0.242
0.342
0.390
0.389
0.224
0.170
0.061
0.320
0.423
0.265
0.058
0.275
0.335
0.332
0.062
0.141
0.259
0.372

APPENDIX A

: tables of data

Table (A-44) Isobaric vapor liquid equilibrium data when using SRK- EOS for
vapor phase and UNIQUAC model for liquid phase of ternary system
Ethanol(1)+2-Methyl-2-propanol(2)+Octane(3) at 101.3KPa.Temperature,T, liquid
phase xi, vapor phase,yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149

0.040
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.115
0.125
0.131
0.135
0.141
0.144

0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630

0.794
0.764
0.732
0.616
0.581
0.684
0.340
0.769
0.297
0.648
0.749
0.827
0.292
0.482
0.684
0.555
0.817
0.500
0.240
0.572
0.243
0.684
0.724
0.608
0.430
0.414
0.648
0.800
0.184
0.460
0.519
0.564
0.644
0.404
0.607
0.339
0.338
0.458
0.244
0.506
0.285
0.477
0.602

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208

0.057
0.070
0.086
0.099
0.114
0.097
0.195
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.292
0.141
0.286
0.120
0.112
0.135
0.194
0.199
0.132
0.107
0.365
0.187
0.173
0.162
0.144
0.220
0.156
0.263
0.261
0.217
0.356
0.216
0.342
0.240
0.199

0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658

0.847
0.828
0.804
0.724
0.702
0.749
0.563
0.795
0.522
0.726
0.777
0.833
0.515
0.634
0.737
0.672
0.823
0.640
0.461
0.673
0.454
0.732
0.756
0.692
0.586
0.578
0.708
0.807
0.371
0.603
0.631
0.655
0.698
0.561
0.674
0.502
0.505
0.577
0.395
0.592
0.422
0.562
0.638

A-52

APPENDIX A

: tables of data

Table (A-44) continued.


T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.08
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

0.154
0.248
0.250
0.260
0.264
0.266
0.272
0.275
0.275
0.284
0.300
0.303
0.303
0.306
0.327
0.331
0.342
0.344
0.346
0.361
0.362
0.371
0.389
0.391
0.394
0.405
0.411
0.418
0.418
0.429
0.429
0.432
0.441
0.441
0.451
0.455
0.459
0.466
0.467
0.472
0.473
0.480
0.486
0.496
0.497

0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

0.439
0.095
0.477
0.305
0.571
0.539
0.289
0.212
0.063
0.412
0.273
0.484
0.202
0.068
0.092
0.405
0.183
0.426
0.347
0.260
0.481
0.339
0.482
0.271
0.080
0.425
0.168
0.267
0.383
0.437
0.435
0.251
0.190
0.067
0.365
0.464
0.306
0.066
0.319
0.385
0.382
0.072
0.166
0.306
0.419

0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

0.271
0.641
0.345
0.452
0.315
0.331
0.473
0.537
0.689
0.403
0.507
0.380
0.559
0.692
0.675
0.439
0.598
0.433
0.480
0.542
0.418
0.499
0.437
0.550
0.704
0.468
0.631
0.563
0.496
0.481
0.481
0.580
0.626
0.721
0.522
0.489
0.558
0.726
0.554
0.526
0.527
0.724
0.656
0.575
0.534

0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

0.526
0.124
0.479
0.335
0.549
0.520
0.315
0.242
0.078
0.410
0.284
0.461
0.221
0.079
0.101
0.384
0.186
0.399
0.330
0.253
0.444
0.315
0.440
0.252
0.078
0.383
0.157
0.242
0.342
0.390
0.389
0.224
0.170
0.061
0.320
0.423
0.265
0.058
0.275
0.335
0.332
0.062
0.141
0.259
0.372

A-53

APPENDIX A

: tables of data

Table (A-45) Isobaric vapor liquid equilibrium data when using SRK EOS for
vapor phase and UNIFAC model for liquid phase of ternary syetem Ethanol(1)+2Methyl-2-propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi,
vapor phase,yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149

0.039
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.086
0.088
0.088
0.089
0.090
0.092
0.092
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.111
0.114
0.125
0.131
0.135
0.140
0.143

0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630

0.791
0.762
0.729
0.614
0.579
0.682
0.339
0.766
0.296
0.646
0.746
0.824
0.291
0.481
0.682
0.553
0.815
0.499
0.239
0.570
0.242
0.682
0.722
0.606
0.428
0.412
0.646
0.798
0.184
0.459
0.517
0.563
0.642
0.403
0.605
0.338
0.337
0.457
0.244
0.505
0.284
0.475
0.600

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208

0.057
0.070
0.086
0.099
0.114
0.097
0.195
0.087
0.231
0.114
0.099
0.089
0.235
0.156
0.112
0.133
0.097
0.158
0.292
0.141
0.286
0.120
0.112
0.135
0.194
0.199
0.132
0.107
0.365
0.187
0.173
0.162
0.144
0.220
0.156
0.263
0.261
0.217
0.356
0.216
0.342
0.240
0.199

0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658

0.847
0.828
0.804
0.724
0.702
0.749
0.563
0.795
0.522
0.726
0.777
0.833
0.515
0.634
0.737
0.672
0.823
0.640
0.461
0.673
0.454
0.732
0.756
0.692
0.586
0.578
0.708
0.807
0.371
0.603
0.631
0.655
0.698
0.561
0.674
0.502
0.505
0.577
0.395
0.592
0.422
0.562
0.638

A-54

APPENDIX A

: tables of data

Table (A-45) continued.


T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

0.154
0.247
0.249
0.259
0.263
0.265
0.271
0.274
0.274
0.283
0.299
0.302
0.302
0.305
0.326
0.330
0.341
0.343
0.345
0.359
0.360
0.370
0.388
0.390
0.393
0.404
0.409
0.417
0.417
0.428
0.428
0.431
0.439
0.439
0.450
0.454
0.457
0.464
0.465
0.471
0.472
0.479
0.484
0.495
0.496

0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

0.438
0.094
0.475
0.304
0.569
0.537
0.288
0.211
0.063
0.410
0.272
0.483
0.202
0.068
0.091
0.404
0.183
0.425
0.346
0.259
0.480
0.338
0.481
0.270
0.080
0.424
0.168
0.267
0.382
0.436
0.433
0.250
0.189
0.067
0.364
0.463
0.305
0.066
0.318
0.384
0.381
0.071
0.166
0.305
0.418

0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

0.271
0.641
0.345
0.452
0.315
0.331
0.473
0.537
0.689
0.403
0.507
0.380
0.559
0.692
0.675
0.439
0.598
0.433
0.480
0.542
0.418
0.499
0.437
0.550
0.704
0.468
0.631
0.563
0.496
0.481
0.481
0.580
0.626
0.721
0.522
0.489
0.558
0.726
0.554
0.526
0.527
0.724
0.656
0.575
0.534

0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

0.526
0.124
0.479
0.335
0.549
0.520
0.315
0.242
0.078
0.410
0.284
0.461
0.221
0.079
0.101
0.384
0.186
0.399
0.330
0.253
0.444
0.315
0.440
0.252
0.078
0.383
0.157
0.242
0.342
0.390
0.389
0.224
0.170
0.061
0.320
0.423
0.265
0.058
0.275
0.335
0.332
0.062
0.141
0.259
0.372

A-55

APPENDIX A

: tables of data

Table (A-46) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and NRTL model for liquid phase of ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,
yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15

0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146

0.040
0.047
0.056
0.061
0.069
0.069
0.070
0.071
0.077
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.096
0.096
0.100
0.100
0.102
0.103
0.105
0.107
0.109
0.112
0.115
0.126
0.132
0.136
0.141

0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499

0.809
0.779
0.746
0.628
0.592
0.697
0.347
0.784
0.303
0.661
0.764
0.843
0.298
0.492
0.697
0.566
0.834
0.510
0.244
0.583
0.247
0.697
0.738
0.620
0.438
0.422
0.661
0.816
0.188
0.469
0.529
0.576
0.656
0.412
0.619
0.346
0.345
0.468
0.249
0.516
0.290
0.486

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251

0.057
0.071
0.087
0.100
0.115
0.098
0.198
0.088
0.234
0.115
0.100
0.090
0.237
0.158
0.113
0.135
0.098
0.160
0.296
0.142
0.290
0.121
0.113
0.137
0.196
0.202
0.134
0.109
0.369
0.189
0.175
0.164
0.145
0.223
0.158
0.266
0.264
0.219
0.360
0.218
0.346
0.243

0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580

0.855
0.835
0.812
0.731
0.708
0.756
0.568
0.802
0.527
0.733
0.784
0.841
0.519
0.640
0.744
0.678
0.830
0.645
0.466
0.680
0.459
0.738
0.763
0.698
0.592
0.583
0.715
0.815
0.375
0.608
0.637
0.661
0.704
0.566
0.681
0.507
0.510
0.582
0.399
0.598
0.426
0.567

A-56

APPENDIX A

: tables of data

Table(A-46) continued.
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

355.58
356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

0.149
0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

0.144
0.155
0.249
0.251
0.262
0.266
0.267
0.273
0.276
0.276
0.286
0.301
0.304
0.304
0.307
0.328
0.332
0.344
0.346
0.348
0.362
0.363
0.373
0.391
0.393
0.396
0.407
0.413
0.421
0.421
0.431
0.431
0.434
0.443
0.443
0.453
0.457
0.461
0.468
0.469
0.475
0.476
0.483
0.488
0.499
0.500

0.630
0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

0.614
0.448
0.096
0.486
0.311
0.582
0.549
0.295
0.216
0.064
0.420
0.279
0.494
0.206
0.069
0.094
0.413
0.187
0.434
0.354
0.265
0.491
0.346
0.492
0.277
0.082
0.433
0.171
0.273
0.391
0.446
0.443
0.256
0.194
0.068
0.372
0.473
0.312
0.067
0.325
0.393
0.390
0.073
0.169
0.312
0.428

0.208
0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

0.202
0.274
0.648
0.349
0.457
0.319
0.334
0.479
0.544
0.697
0.408
0.513
0.385
0.565
0.700
0.683
0.444
0.605
0.438
0.485
0.548
0.422
0.505
0.442
0.556
0.712
0.474
0.639
0.570
0.502
0.486
0.486
0.586
0.633
0.730
0.528
0.494
0.564
0.735
0.560
0.532
0.533
0.733
0.664
0.581
0.540

0.658
0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

0.644
0.531
0.125
0.483
0.338
0.555
0.525
0.318
0.245
0.079
0.414
0.287
0.466
0.223
0.080
0.102
0.387
0.188
0.403
0.333
0.255
0.448
0.318
0.444
0.254
0.078
0.386
0.158
0.245
0.345
0.393
0.392
0.226
0.171
0.062
0.323
0.427
0.267
0.059
0.278
0.338
0.335
0.063
0.143
0.261
0.376

A-57

APPENDIX A

: tables of data

Table (A-47) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIQUAC model for liquid phase of ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,
yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149

0.040
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.115
0.125
0.131
0.135
0.141
0.144

0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630

0.804
0.774
0.741
0.624
0.589
0.693
0.345
0.779
0.301
0.657
0.759
0.838
0.296
0.489
0.693
0.562
0.829
0.507
0.243
0.580
0.246
0.693
0.734
0.617
0.436
0.419
0.657
0.811
0.187
0.467
0.526
0.572
0.652
0.409
0.616
0.344
0.343
0.465
0.248
0.513
0.288
0.483
0.610

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208

0.057
0.071
0.087
0.100
0.115
0.098
0.198
0.088
0.234
0.115
0.100
0.090
0.237
0.158
0.113
0.135
0.098
0.160
0.296
0.142
0.290
0.121
0.113
0.137
0.196
0.202
0.134
0.109
0.369
0.189
0.175
0.164
0.145
0.223
0.158
0.266
0.264
0.219
0.360
0.218
0.346
0.243
0.202

0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658

0.855
0.835
0.812
0.731
0.708
0.756
0.568
0.802
0.527
0.733
0.784
0.841
0.519
0.640
0.744
0.678
0.830
0.645
0.466
0.680
0.459
0.738
0.763
0.698
0.592
0.583
0.715
0.815
0.375
0.608
0.637
0.661
0.704
0.566
0.681
0.507
0.510
0.582
0.399
0.598
0.426
0.567
0.644

A-58

APPENDIX A

: tables of data

Table(A-47)continued.
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

0.154
0.248
0.250
0.260
0.264
0.266
0.272
0.275
0.275
0.284
0.300
0.303
0.303
0.306
0.327
0.331
0.342
0.344
0.346
0.361
0.362
0.371
0.389
0.391
0.394
0.405
0.411
0.418
0.418
0.429
0.429
0.432
0.441
0.441
0.451
0.455
0.459
0.466
0.467
0.472
0.473
0.480
0.486
0.496
0.497

0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

0.445
0.096
0.483
0.309
0.579
0.546
0.293
0.215
0.064
0.417
0.277
0.491
0.205
0.069
0.093
0.410
0.186
0.432
0.351
0.263
0.488
0.344
0.489
0.275
0.081
0.431
0.170
0.271
0.388
0.443
0.440
0.255
0.193
0.068
0.370
0.470
0.310
0.067
0.323
0.390
0.387
0.073
0.168
0.310
0.425

0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

0.274
0.648
0.349
0.457
0.319
0.334
0.479
0.544
0.697
0.408
0.513
0.385
0.565
0.700
0.683
0.444
0.605
0.438
0.485
0.548
0.422
0.505
0.442
0.556
0.712
0.474
0.639
0.570
0.502
0.486
0.486
0.586
0.633
0.730
0.528
0.494
0.564
0.735
0.560
0.532
0.533
0.733
0.664
0.581
0.540

0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

0.531
0.125
0.483
0.338
0.555
0.525
0.318
0.245
0.079
0.414
0.287
0.466
0.223
0.080
0.102
0.387
0.188
0.403
0.333
0.255
0.448
0.318
0.444
0.254
0.078
0.386
0.158
0.245
0.345
0.393
0.392
0.226
0.171
0.062
0.323
0.427
0.267
0.059
0.278
0.338
0.335
0.063
0.143
0.261
0.376

A-59

APPENDIX A

: tables of data

Table (A-48) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIFAC model for liquid phase of for ternary Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,
yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149

0.039
0.047
0.056
0.061
0.068
0.068
0.069
0.070
0.076
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.089
0.090
0.092
0.092
0.095
0.095
0.099
0.099
0.101
0.102
0.104
0.106
0.108
0.112
0.114
0.125
0.131
0.135
0.140
0.143

0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630

0.807
0.777
0.744
0.626
0.590
0.695
0.346
0.782
0.302
0.659
0.761
0.841
0.297
0.490
0.695
0.564
0.831
0.509
0.244
0.582
0.247
0.695
0.736
0.619
0.437
0.420
0.659
0.814
0.187
0.468
0.527
0.574
0.654
0.411
0.618
0.345
0.344
0.466
0.249
0.515
0.289
0.485
0.612

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208

0.057
0.071
0.087
0.100
0.115
0.098
0.198
0.088
0.234
0.115
0.100
0.090
0.237
0.158
0.113
0.135
0.098
0.160
0.296
0.142
0.290
0.121
0.113
0.137
0.196
0.202
0.134
0.109
0.369
0.189
0.175
0.164
0.145
0.223
0.158
0.266
0.264
0.219
0.360
0.218
0.346
0.243
0.202

0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658

0.855
0.835
0.812
0.731
0.708
0.756
0.568
0.802
0.527
0.733
0.784
0.841
0.519
0.640
0.744
0.678
0.830
0.645
0.466
0.680
0.459
0.738
0.763
0.698
0.592
0.583
0.715
0.815
0.375
0.608
0.637
0.661
0.704
0.566
0.681
0.507
0.510
0.582
0.399
0.598
0.426
0.567
0.644

A-60

APPENDIX A

: tables of data

Table (A-48) continued.


T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

0.154
0.247
0.249
0.260
0.264
0.266
0.271
0.274
0.274
0.284
0.299
0.302
0.302
0.305
0.326
0.330
0.342
0.343
0.345
0.360
0.361
0.370
0.389
0.391
0.393
0.404
0.410
0.418
0.418
0.428
0.428
0.431
0.440
0.440
0.450
0.454
0.458
0.465
0.466
0.471
0.472
0.479
0.485
0.495
0.496

0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

0.447
0.096
0.485
0.310
0.581
0.548
0.294
0.216
0.064
0.419
0.278
0.492
0.206
0.069
0.093
0.412
0.186
0.433
0.352
0.264
0.489
0.345
0.490
0.276
0.082
0.432
0.171
0.272
0.389
0.445
0.442
0.255
0.193
0.068
0.371
0.472
0.311
0.067
0.324
0.391
0.388
0.073
0.169
0.311
0.426

0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

0.274
0.648
0.349
0.457
0.319
0.334
0.479
0.544
0.697
0.408
0.513
0.385
0.565
0.700
0.683
0.444
0.605
0.438
0.485
0.548
0.422
0.505
0.442
0.556
0.712
0.474
0.639
0.570
0.502
0.486
0.486
0.586
0.633
0.730
0.528
0.494
0.564
0.735
0.560
0.532
0.533
0.733
0.664
0.581
0.540

0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

0.531
0.125
0.483
0.338
0.555
0.525
0.318
0.245
0.079
0.414
0.287
0.466
0.223
0.080
0.102
0.387
0.188
0.403
0.333
0.255
0.448
0.318
0.444
0.254
0.078
0.386
0.158
0.245
0.345
0.393
0.392
0.226
0.171
0.062
0.323
0.427
0.267
0.059
0.278
0.338
0.335
0.063
0.143
0.261
0.376

A-61

APPENDIX A

: tables of data

Table (A-49) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from NRTL model for Ternary Ethanol(1)+2-Methyl2-propanol(2)+Octane(3) at 101.3KPa.Temperature,T, liquid phase xi, vapor phase,
yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149

0.040
0.048
0.056
0.061
0.069
0.069
0.070
0.071
0.077
0.079
0.080
0.080
0.080
0.081
0.083
0.083
0.085
0.086
0.086
0.087
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.096
0.096
0.100
0.100
0.102
0.103
0.105
0.107
0.109
0.113
0.116
0.126
0.132
0.136
0.142
0.145

0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630

0.819
0.788
0.755
0.635
0.599
0.705
0.351
0.793
0.306
0.669
0.772
0.853
0.301
0.497
0.705
0.572
0.843
0.516
0.247
0.590
0.250
0.705
0.747
0.627
0.443
0.427
0.669
0.825
0.190
0.475
0.535
0.582
0.664
0.417
0.626
0.350
0.349
0.473
0.252
0.522
0.294
0.492
0.621

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208

0.058
0.071
0.088
0.101
0.117
0.099
0.200
0.089
0.236
0.117
0.101
0.091
0.240
0.160
0.115
0.136
0.099
0.162
0.299
0.144
0.293
0.122
0.115
0.138
0.198
0.204
0.135
0.110
0.373
0.191
0.177
0.165
0.147
0.225
0.160
0.269
0.266
0.221
0.364
0.220
0.350
0.246
0.204

0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658

0.861
0.841
0.818
0.736
0.713
0.761
0.572
0.808
0.531
0.738
0.790
0.847
0.523
0.644
0.750
0.683
0.836
0.650
0.469
0.685
0.462
0.744
0.768
0.703
0.596
0.587
0.720
0.821
0.377
0.613
0.641
0.666
0.709
0.570
0.686
0.510
0.513
0.586
0.402
0.602
0.429
0.571
0.648

A-62

APPENDIX A

: tables of data

Table (A-49) continued.


T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

0.156
0.250
0.252
0.262
0.266
0.268
0.274
0.277
0.277
0.287
0.302
0.305
0.305
0.308
0.330
0.333
0.345
0.347
0.349
0.364
0.365
0.374
0.393
0.395
0.398
0.408
0.414
0.422
0.422
0.433
0.433
0.435
0.444
0.444
0.455
0.459
0.463
0.469
0.470
0.476
0.477
0.484
0.490
0.501
0.502

0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

0.453
0.098
0.492
0.314
0.589
0.556
0.298
0.219
0.065
0.425
0.282
0.499
0.209
0.070
0.095
0.418
0.189
0.439
0.358
0.268
0.496
0.350
0.497
0.280
0.083
0.438
0.173
0.276
0.395
0.451
0.448
0.259
0.196
0.069
0.376
0.479
0.315
0.068
0.329
0.397
0.394
0.074
0.171
0.315
0.432

0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

0.277
0.655
0.352
0.462
0.322
0.338
0.484
0.549
0.704
0.412
0.518
0.389
0.571
0.707
0.690
0.448
0.611
0.443
0.490
0.554
0.427
0.510
0.446
0.562
0.720
0.479
0.645
0.576
0.507
0.491
0.491
0.592
0.639
0.737
0.534
0.499
0.570
0.742
0.566
0.537
0.538
0.740
0.671
0.587
0.545

0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

0.535
0.126
0.487
0.341
0.558
0.529
0.320
0.246
0.080
0.417
0.289
0.469
0.225
0.081
0.102
0.390
0.189
0.406
0.336
0.257
0.451
0.320
0.447
0.256
0.079
0.389
0.160
0.246
0.348
0.396
0.395
0.228
0.172
0.062
0.325
0.430
0.269
0.059
0.280
0.341
0.338
0.063
0.144
0.263
0.378

A-63

APPENDIX A

: tables of data

Table (A-50) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from UNIQUAC model for ternary Ethanol(1)+2Methyl-2-propanol(2)+Octane(3) at 101.3KPa.Temperature,T, liquid phase xi,
vapor phase, yi
T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

0.041
0.049
0.058
0.063
0.071
0.071
0.072
0.073
0.079
0.081
0.082
0.082
0.082
0.083
0.085
0.085
0.087
0.088
0.088
0.089
0.090
0.092
0.092
0.093
0.094
0.096
0.096
0.099
0.099
0.103
0.103
0.105
0.106
0.108
0.110
0.112
0.116
0.119
0.130
0.136
0.140
0.146
0.149

0.040
0.047
0.056
0.061
0.069
0.069
0.070
0.071
0.077
0.078
0.079
0.079
0.079
0.080
0.082
0.082
0.084
0.085
0.085
0.086
0.087
0.089
0.089
0.090
0.091
0.093
0.093
0.096
0.096
0.100
0.100
0.102
0.103
0.105
0.107
0.109
0.112
0.115
0.126
0.132
0.136
0.141
0.144

0.831
0.800
0.766
0.645
0.608
0.716
0.356
0.805
0.311
0.679
0.784
0.866
0.306
0.505
0.716
0.581
0.856
0.524
0.251
0.599
0.254
0.716
0.758
0.637
0.450
0.433
0.679
0.838
0.193
0.482
0.543
0.591
0.674
0.423
0.636
0.355
0.354
0.480
0.256
0.530
0.298
0.499
0.630

0.814
0.783
0.750
0.631
0.595
0.701
0.349
0.788
0.304
0.665
0.768
0.848
0.300
0.494
0.701
0.569
0.838
0.513
0.246
0.586
0.249
0.701
0.742
0.624
0.441
0.424
0.665
0.820
0.189
0.472
0.532
0.579
0.660
0.414
0.623
0.348
0.347
0.470
0.251
0.519
0.292
0.489
0.617

0.059
0.073
0.090
0.103
0.119
0.101
0.204
0.091
0.241
0.119
0.103
0.093
0.245
0.163
0.117
0.139
0.101
0.165
0.305
0.147
0.299
0.125
0.117
0.141
0.202
0.208
0.138
0.112
0.381
0.195
0.181
0.169
0.150
0.230
0.163
0.275
0.272
0.226
0.372
0.225
0.357
0.251
0.208

0.058
0.071
0.088
0.101
0.116
0.099
0.200
0.089
0.236
0.116
0.101
0.091
0.240
0.159
0.114
0.136
0.099
0.161
0.298
0.144
0.292
0.122
0.114
0.138
0.198
0.203
0.135
0.110
0.373
0.191
0.177
0.165
0.147
0.225
0.159
0.269
0.266
0.221
0.364
0.220
0.349
0.245
0.203

0.874
0.854
0.830
0.747
0.724
0.773
0.581
0.820
0.539
0.749
0.802
0.860
0.531
0.654
0.761
0.693
0.849
0.660
0.476
0.695
0.469
0.755
0.780
0.714
0.605
0.596
0.731
0.833
0.383
0.622
0.651
0.676
0.720
0.579
0.696
0.518
0.521
0.595
0.408
0.611
0.436
0.580
0.658

0.857
0.838
0.814
0.733
0.710
0.758
0.570
0.804
0.529
0.735
0.787
0.844
0.521
0.642
0.747
0.680
0.833
0.647
0.467
0.682
0.460
0.741
0.765
0.700
0.594
0.585
0.717
0.817
0.376
0.610
0.639
0.663
0.706
0.568
0.683
0.508
0.511
0.584
0.400
0.599
0.428
0.569
0.645

A-64

APPENDIX A

: tables of data

Table (A-50) continued.


T/K

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

0.160
0.257
0.259
0.270
0.274
0.276
0.282
0.285
0.285
0.295
0.311
0.314
0.314
0.317
0.339
0.343
0.355
0.357
0.359
0.374
0.375
0.385
0.404
0.406
0.409
0.420
0.426
0.434
0.434
0.445
0.445
0.448
0.457
0.457
0.468
0.472
0.476
0.483
0.484
0.490
0.491
0.498
0.504
0.515
0.516

0.155
0.249
0.251
0.262
0.266
0.267
0.273
0.276
0.276
0.286
0.301
0.304
0.304
0.307
0.328
0.332
0.344
0.346
0.348
0.362
0.363
0.373
0.391
0.393
0.396
0.407
0.413
0.421
0.421
0.431
0.431
0.434
0.443
0.443
0.453
0.457
0.461
0.468
0.469
0.475
0.476
0.483
0.488
0.499
0.500

0.460
0.099
0.499
0.319
0.598
0.564
0.303
0.222
0.066
0.431
0.286
0.507
0.212
0.071
0.096
0.424
0.192
0.446
0.363
0.272
0.504
0.355
0.505
0.284
0.084
0.445
0.176
0.280
0.401
0.458
0.455
0.263
0.199
0.070
0.382
0.486
0.320
0.069
0.334
0.403
0.400
0.075
0.174
0.320
0.439

0.450
0.097
0.489
0.312
0.585
0.552
0.297
0.217
0.065
0.422
0.280
0.496
0.208
0.070
0.094
0.415
0.188
0.437
0.355
0.266
0.493
0.348
0.494
0.278
0.082
0.436
0.172
0.274
0.393
0.448
0.445
0.257
0.195
0.069
0.374
0.476
0.313
0.068
0.327
0.395
0.392
0.073
0.170
0.313
0.430

0.283
0.669
0.360
0.472
0.329
0.345
0.494
0.561
0.719
0.421
0.529
0.397
0.583
0.722
0.705
0.458
0.624
0.452
0.501
0.566
0.436
0.521
0.456
0.574
0.735
0.489
0.659
0.588
0.518
0.502
0.502
0.605
0.653
0.753
0.545
0.510
0.582
0.758
0.578
0.549
0.550
0.756
0.685
0.600
0.557

0.277
0.654
0.352
0.462
0.322
0.337
0.483
0.549
0.703
0.412
0.517
0.388
0.570
0.706
0.689
0.448
0.610
0.442
0.490
0.554
0.426
0.510
0.446
0.561
0.719
0.478
0.645
0.575
0.507
0.491
0.491
0.592
0.639
0.736
0.533
0.499
0.569
0.741
0.565
0.537
0.538
0.739
0.670
0.587
0.545

0.543
0.128
0.494
0.346
0.567
0.537
0.325
0.250
0.081
0.423
0.293
0.476
0.228
0.082
0.104
0.396
0.192
0.412
0.341
0.261
0.458
0.325
0.454
0.260
0.080
0.395
0.162
0.250
0.353
0.402
0.401
0.231
0.175
0.063
0.330
0.437
0.273
0.060
0.284
0.346
0.343
0.064
0.146
0.267
0.384

0.533
0.126
0.485
0.339
0.556
0.527
0.319
0.245
0.079
0.415
0.287
0.467
0.224
0.080
0.102
0.388
0.188
0.404
0.335
0.256
0.449
0.319
0.445
0.255
0.078
0.387
0.159
0.245
0.346
0.394
0.393
0.227
0.172
0.062
0.324
0.429
0.268
0.059
0.279
0.339
0.336
0.063
0.143
0.262
0.377

A-65

APPENDIX A

: tables of data

A.2.3 ternary system ()

[MTBE (1) +Ethanol (2) + Octane (3)]


Table (A-51) Isobaric vapor liquid equilibrium data when using SRK- EOS for two
phase of ternary system MTBE (1) +Ethanol (2) + Octane (3) at 101.3KPa.
Temperature,T, liquid phase xi, vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29

x1 lit.
0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644

x1 cal.
0.0368
0.0401
0.0430
0.0438
0.0440
0.0461
0.0481
0.0489
0.0535
0.0555
0.0613
0.0679
0.0687
0.0716
0.0730
0.0737
0.0765
0.0803
0.0850
0.0873
0.0876
0.0886
0.0954
0.0993
0.1002
0.1058
0.1109
0.1128
0.1130
0.1265
0.1297
0.1343
0.1393
0.1398
0.1402
0.1452
0.1524
0.1554

x2 lit.
0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576

x2 cal.
0.8667
0.6395
0.6774
0.2514
0.8540
0.7136
0.8446
0.2891
0.3230
0.5721
0.6241
0.6806
0.5480
0.8286
0.7193
0.5862
0.4689
0.6251
0.8103
0.3267
0.5352
0.0706
0.3576
0.1913
0.0861
0.3965
0.8005
0.2264
0.1105
0.4495
0.6640
0.5467
0.7635
0.7006
0.4901
0.5832
0.5278
0.6201

A-66

y1 lit.
0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465

y1 cal.
0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337

y2 lit.
0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687

y2 cal.
0.7727
0.7299
0.7264
0.7053
0.7553
0.7220
0.7339
0.7031
0.6993
0.7036
0.6941
0.6826
0.6849
0.6862
0.6730
0.6760
0.6781
0.6639
0.6593
0.6526
0.6548
0.5435
0.6419
0.6146
0.5512
0.6341
0.6103
0.6059
0.5526
0.6015
0.5826
0.5867
0.5507
0.5630
0.5839
0.5693
0.5660
0.5494

APPENDIX A

: tables of data

Table(A-51) continued.
T/K
352.69
345.66
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33

x1 lit.
0.1744
0.1784
0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877

x1 cal.
0.1648
0.1686
0.1721
0.1811
0.1813
0.1856
0.1953
0.1960
0.1980
0.2025
0.2088
0.2128
0.2183
0.2240
0.2262
0.2339
0.2363
0.2363
0.2397
0.2439
0.2485
0.2614
0.2653
0.2664
0.2684
0.2706
0.2738
0.2754
0.2861
0.2871
0.2911
0.2915
0.3007
0.3021
0.3103
0.3159
0.3186
0.3382
0.3454
0.3550
0.3569
0.3623
0.3664

x2 lit.
0.0780
0.3591
0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475

x2 cal.
0.0736
0.3386
0.7208
0.0862
0.3620
0.1670
0.6544
0.3913
0.0454
0.6828
0.6833
0.1215
0.4395
0.0556
0.2130
0.6629
0.6409
0.4700
0.1049
0.3158
0.0658
0.1143
0.6322
0.5200
0.3488
0.1663
0.6161
0.5289
0.5479
0.1299
0.5521
0.3755
0.1892
0.5749
0.5803
0.5784
0.5634
0.1873
0.4355
0.0642
0.4903
0.3395
0.5163

A-67

y1 lit.
0.3692
0.3111
0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345

y1 cal.
0.3555
0.2996
0.4215
0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110

y2 lit.
0.4598
0.5680
0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440

y2 cal.
0.4442
0.5487
0.5072
0.4417
0.5332
0.4960
0.4919
0.5157
0.3353
0.4713
0.4653
0.4455
0.4897
0.3344
0.4652
0.4340
0.4399
0.4674
0.3935
0.4637
0.3285
0.3822
0.4055
0.4276
0.4401
0.4055
0.4003
0.4171
0.4026
0.3707
0.3962
0.4175
0.3872
0.3817
0.3694
0.3704
0.3695
0.3553
0.3634
0.2384
0.3478
0.3582
0.3323

APPENDIX A

: tables of data

Table(A-51) continued.
T/K
340.65
337.97
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.
0.3905
0.3919
0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

x1 cal.
0.3690
0.3703
0.3704
0.3708
0.3723
0.3777
0.3811
0.3861
0.3914
0.3919
0.3927
0.3966
0.4057
0.4097
0.4147
0.4239
0.4247
0.4414
0.4442
0.4522
0.4594
0.4649
0.4804
0.4862
0.4901
0.5000
0.5101
0.5104
0.5183
0.5259
0.5262
0.5333
0.5366
0.5521
0.5731
0.5863
0.5965
0.5979
0.6308
0.6354
0.6890

x2 lit.
0.2167
0.3980
0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

x2 cal.
0.2043
0.3753
0.4607
0.1016
0.4595
0.4940
0.5165
0.2420
0.3658
0.3123
0.0736
0.4846
0.2254
0.1134
0.2589
0.3342
0.3906
0.1669
0.2835
0.2397
0.0919
0.3065
0.1809
0.2830
0.2584
0.3259
0.1037
0.1758
0.1964
0.2215
0.2470
0.2763
0.0786
0.1894
0.2607
0.0852
0.2033
0.2932
0.0775
0.0936
0.1014

A-68

y1 lit.
0.5780
0.5877
0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

y1 cal.
0.5566
0.5660
0.5914
0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148

y2 lit.
0.3488
0.3613
0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

y2 cal.
0.3369
0.3490
0.3402
0.2771
0.3380
0.3314
0.3232
0.3311
0.3332
0.3330
0.2285
0.3189
0.3191
0.2609
0.3132
0.3111
0.3093
0.2735
0.2921
0.2912
0.2140
0.2842
0.2545
0.2716
0.2685
0.2638
0.1980
0.2363
0.2383
0.2494
0.2431
0.2458
0.1624
0.2197
0.2249
0.1501
0.2036
0.2100
0.1269
0.1388
0.1277

APPENDIX A

: tables of data

Table (A-52) Isobaric vapor liquid equilibrium data when using PR EOS for two
phase of ternary system MTBE(1)+Ethanol(2)+ Octane(3) at 101.3KPa.
Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821

0.0371
0.0404
0.0434
0.0442
0.0445
0.0466
0.0486
0.0493
0.0540
0.0560
0.0619
0.0685
0.0694
0.0723
0.0737
0.0744
0.0773
0.0811
0.0858
0.0881
0.0884
0.0895
0.0964
0.1003
0.1011
0.1068
0.1120
0.1139
0.1141
0.1277
0.1309
0.1356
0.1406
0.1411
0.1416
0.1465
0.1539
0.1568
0.1664
0.1702
0.1737

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644

0.8869
0.6545
0.6932
0.2573
0.8739
0.7302
0.8644
0.2959
0.3305
0.5855
0.6386
0.6964
0.5608
0.8479
0.7361
0.5998
0.4798
0.6397
0.8292
0.3344
0.5476
0.0723
0.3659
0.1958
0.0881
0.4058
0.8192
0.2317
0.1131
0.4600
0.6795
0.5594
0.7814
0.7169
0.5015
0.5969
0.5401
0.6346
0.0753
0.3465
0.7376

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377

0.1335
0.0940
0.1050
0.0850
0.1477
0.1182
0.1661
0.0939
0.1031
0.1210
0.1400
0.1647
0.1433
0.2279
0.1870
0.1594
0.1428
0.1808
0.2530
0.1650
0.1831
0.2110
0.1805
0.1888
0.2222
0.1950
0.3205
0.2073
0.2348
0.2425
0.2975
0.2732
0.3797
0.3353
0.2704
0.3013
0.2980
0.3340
0.3559
0.2999
0.4219

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250

0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532
0.5114

A-69

APPENDIX A

: tables of data

Table(A-52) continued.
T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920

0.1828
0.1831
0.1874
0.1972
0.1979
0.1999
0.2044
0.2108
0.2148
0.2204
0.2261
0.2284
0.2361
0.2385
0.2386
0.2420
0.2462
0.2509
0.2639
0.2678
0.2689
0.2709
0.2731
0.2764
0.2780
0.2889
0.2898
0.2938
0.2943
0.3036
0.3050
0.3133
0.3189
0.3216
0.3414
0.3487
0.3584
0.3603
0.3658
0.3699
0.3725
0.3739
0.3740

0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885

0.0882
0.3705
0.1709
0.6697
0.4004
0.0464
0.6988
0.6992
0.1243
0.4498
0.0569
0.2180
0.6784
0.6558
0.4810
0.1073
0.3232
0.0674
0.1170
0.6469
0.5321
0.3570
0.1701
0.6304
0.5413
0.5607
0.1330
0.5650
0.3843
0.1936
0.5884
0.5939
0.5919
0.5766
0.1916
0.4456
0.0657
0.5017
0.3474
0.5283
0.2091
0.3841
0.4714

0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141

0.3715
0.3231
0.3361
0.4221
0.3495
0.4640
0.4586
0.4687
0.4002
0.3888
0.4824
0.3895
0.5049
0.4907
0.4222
0.4459
0.4074
0.5011
0.4673
0.5366
0.4822
0.4418
0.4558
0.5396
0.4977
0.5208
0.4919
0.5306
0.4756
0.4857
0.5560
0.5740
0.5740
0.5711
0.5292
0.5561
0.6265
0.5867
0.5501
0.6117
0.5572
0.5665
0.5920

0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522

0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519
0.3430

A-70

APPENDIX A

: tables of data

Table(A-52) continued.
T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3743
0.3759
0.3813
0.3847
0.3898
0.3951
0.3956
0.3965
0.4004
0.4096
0.4136
0.4186
0.4280
0.4287
0.4456
0.4484
0.4565
0.4637
0.4694
0.4850
0.4908
0.4947
0.5048
0.5150
0.5153
0.5233
0.5309
0.5312
0.5383
0.5417
0.5573
0.5786
0.5919
0.6022
0.6036
0.6368
0.6415
0.6956

0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.1039
0.4702
0.5056
0.5285
0.2476
0.3743
0.3196
0.0754
0.4959
0.2306
0.1161
0.2649
0.3420
0.3997
0.1708
0.2901
0.2453
0.0941
0.3136
0.1851
0.2896
0.2644
0.3335
0.1062
0.1799
0.2010
0.2267
0.2527
0.2827
0.0805
0.1938
0.2668
0.0871
0.2081
0.3000
0.0793
0.0958
0.1037

0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.6037
0.5944
0.6102
0.6262
0.5714
0.5875
0.5797
0.6503
0.6265
0.5862
0.6332
0.5984
0.6125
0.6236
0.6319
0.6305
0.6248
0.6858
0.6449
0.6615
0.6580
0.6591
0.6760
0.7137
0.6854
0.6875
0.6927
0.6906
0.6929
0.7507
0.7118
0.7186
0.7743
0.7376
0.7437
0.8030
0.7954
0.8156

0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288

A-71

APPENDIX A

: tables of data

Table (A-53) Isobaric vapor liquid equilibrium data when using SRK-EOS for
vapor phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821

0.0378
0.0413
0.0443
0.0450
0.0453
0.0475
0.0495
0.0503
0.0551
0.0571
0.0631
0.0699
0.0707
0.0738
0.0752
0.0759
0.0788
0.0827
0.0875
0.0899
0.0902
0.0913
0.0983
0.1023
0.1031
0.1090
0.1142
0.1162
0.1164
0.1303
0.1335
0.1383
0.1434
0.1439
0.1444
0.1495
0.1569
0.1600
0.1697
0.1736
0.1772

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644

0.8970
0.6619
0.7011
0.2602
0.8839
0.7385
0.8742
0.2992
0.3343
0.5921
0.6459
0.7044
0.5672
0.8576
0.7445
0.6067
0.4853
0.6470
0.8387
0.3382
0.5539
0.0731
0.3701
0.1980
0.0891
0.4104
0.8285
0.2343
0.1144
0.4653
0.6872
0.5658
0.7903
0.7251
0.5072
0.6037
0.5463
0.6418
0.0761
0.3505
0.7461

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377

0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337
0.3555
0.2996
0.4215

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250

0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532
0.5114

A-72

APPENDIX A

: tables of data

Table(A-53) continued.
T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920

0.1864
0.1867
0.1911
0.2011
0.2018
0.2038
0.2085
0.2150
0.2191
0.2248
0.2306
0.2329
0.2408
0.2433
0.2433
0.2469
0.2511
0.2559
0.2691
0.2731
0.2743
0.2763
0.2786
0.2819
0.2835
0.2946
0.2956
0.2997
0.3002
0.3096
0.3111
0.3195
0.3253
0.3280
0.3482
0.3556
0.3656
0.3675
0.3730
0.3772
0.3800
0.3813
0.3814

0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885

0.0892
0.3747
0.1728
0.6773
0.4049
0.0469
0.7067
0.7072
0.1257
0.4549
0.0576
0.2205
0.6861
0.6633
0.4864
0.1085
0.3269
0.0681
0.1183
0.6543
0.5382
0.3610
0.1721
0.6376
0.5474
0.5671
0.1345
0.5714
0.3886
0.1958
0.5951
0.6006
0.5987
0.5832
0.1938
0.4507
0.0665
0.5074
0.3514
0.5344
0.2115
0.3884
0.4768

0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141

0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110
0.5566
0.5660
0.5914

0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522

0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519
0.3430

A-73

APPENDIX A

: tables of data

Table(A-53) continued.
T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3818
0.3834
0.3889
0.3924
0.3976
0.4030
0.4035
0.4044
0.4084
0.4177
0.4218
0.4270
0.4365
0.4373
0.4545
0.4573
0.4656
0.4730
0.4787
0.4947
0.5006
0.5046
0.5148
0.5252
0.5255
0.5337
0.5415
0.5418
0.5491
0.5525
0.5684
0.5901
0.6036
0.6142
0.6156
0.6495
0.6542
0.7094

0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.1051
0.4756
0.5113
0.5346
0.2504
0.3786
0.3233
0.0762
0.5016
0.2333
0.1174
0.2679
0.3459
0.4043
0.1728
0.2934
0.2481
0.0952
0.3172
0.1872
0.2929
0.2674
0.3373
0.1074
0.1819
0.2033
0.2293
0.2556
0.2860
0.0814
0.1960
0.2699
0.0881
0.2104
0.3034
0.0802
0.0969
0.1049

0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148

0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288

A-74

APPENDIX A

: tables of data

Table (A-54) Isobaric vapor liquid equilibrium data when using SRK- EOS for
vapor phase and UNIQUAC
model for liquid phase of ternary system
MTBE(1)+Ethanol(2)+ Octane(3) at 101.3KPa. Temperature,T, liquid phase xi,
vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784

0.0375
0.0409
0.0439
0.0446
0.0449
0.0470
0.0491
0.0498
0.0546
0.0566
0.0626
0.0692
0.0701
0.0731
0.0745
0.0752
0.0781
0.0819
0.0867
0.0891
0.0894
0.0904
0.0974
0.1013
0.1022
0.1080
0.1132
0.1151
0.1153
0.1291
0.1323
0.1370
0.1421
0.1426
0.1431
0.1481
0.1555
0.1585
0.1681
0.1720

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591

0.8924
0.6585
0.6975
0.2589
0.8793
0.7348
0.8697
0.2977
0.3326
0.5891
0.6426
0.7008
0.5642
0.8532
0.7407
0.6036
0.4828
0.6437
0.8344
0.3365
0.5510
0.0727
0.3682
0.1970
0.0887
0.4083
0.8243
0.2331
0.1138
0.4629
0.6837
0.5629
0.7862
0.7214
0.5046
0.6006
0.5435
0.6385
0.0757
0.3487

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111

0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337
0.3555
0.2996

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680

0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532

A-75

APPENDIX A

: tables of data

Table (A-54) continued.


T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919

0.1755
0.1847
0.1850
0.1893
0.1993
0.1999
0.2020
0.2066
0.2130
0.2171
0.2227
0.2285
0.2308
0.2386
0.2410
0.2411
0.2446
0.2488
0.2535
0.2666
0.2706
0.2718
0.2738
0.2760
0.2793
0.2809
0.2919
0.2929
0.2969
0.2974
0.3067
0.3082
0.3166
0.3223
0.3250
0.3450
0.3523
0.3622
0.3641
0.3696
0.3737
0.3764
0.3778

0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980

0.7422
0.0887
0.3728
0.1720
0.6739
0.4029
0.0467
0.7031
0.7036
0.1251
0.4526
0.0573
0.2193
0.6826
0.6599
0.4839
0.1080
0.3252
0.0678
0.1177
0.6510
0.5354
0.3592
0.1712
0.6344
0.5446
0.5642
0.1338
0.5685
0.3867
0.1948
0.5920
0.5976
0.5956
0.5802
0.1928
0.4484
0.0661
0.5048
0.3496
0.5316
0.2104
0.3865

0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877

0.4215
0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110
0.5566
0.5660

0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613

0.5114
0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519

A-76

APPENDIX A

: tables of data

Table (A-54) continued.


T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3779
0.3783
0.3798
0.3853
0.3888
0.3939
0.3993
0.3998
0.4006
0.4046
0.4138
0.4179
0.4230
0.4325
0.4332
0.4503
0.4531
0.4613
0.4686
0.4743
0.4901
0.4960
0.4999
0.5101
0.5204
0.5207
0.5288
0.5365
0.5368
0.5440
0.5474
0.5632
0.5847
0.5981
0.6085
0.6099
0.6435
0.6482
0.7029

0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.4743
0.1046
0.4732
0.5087
0.5318
0.2492
0.3767
0.3216
0.0758
0.4990
0.2321
0.1168
0.2665
0.3441
0.4022
0.1719
0.2919
0.2468
0.0947
0.3156
0.1862
0.2914
0.2661
0.3356
0.1068
0.1810
0.2023
0.2281
0.2543
0.2845
0.0810
0.1950
0.2685
0.0877
0.2093
0.3019
0.0798
0.0964
0.1044

0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.5914
0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148

0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.3430
0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288

A-77

APPENDIX A

: tables of data

Table (A-55) Isobaric vapor liquid equilibrium data when using SRK- EOS for
vapor phase and UNIFAC
model for liquid phase of ternary syetem
MTBE(1)+Ethanol (2)+ Octane(3) at 101.3 KPa. Temperature,T, liquid phase xi,
vapor phase,yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784

0.0375
0.0409
0.0439
0.0447
0.0450
0.0471
0.0491
0.0499
0.0546
0.0566
0.0626
0.0693
0.0702
0.0731
0.0746
0.0753
0.0782
0.0820
0.0868
0.0892
0.0895
0.0905
0.0975
0.1014
0.1023
0.1081
0.1133
0.1152
0.1154
0.1292
0.1324
0.1371
0.1422
0.1427
0.1432
0.1482
0.1557
0.1586
0.1683
0.1722

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591

0.8879
0.6551
0.6939
0.2575
0.8748
0.7310
0.8652
0.2962
0.3309
0.5861
0.6393
0.6972
0.5613
0.8488
0.7369
0.6005
0.4803
0.6404
0.8301
0.3347
0.5482
0.0724
0.3663
0.1960
0.0882
0.4062
0.8200
0.2319
0.1132
0.4605
0.6802
0.5600
0.7822
0.7176
0.5020
0.5975
0.5407
0.6352
0.0753
0.3469

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111

0.1334
0.0939
0.1049
0.0849
0.1475
0.1181
0.1659
0.0938
0.1029
0.1209
0.1398
0.1646
0.1431
0.2277
0.1868
0.1593
0.1426
0.1807
0.2527
0.1649
0.1829
0.2108
0.1803
0.1886
0.2220
0.1948
0.3202
0.2070
0.2346
0.2423
0.2972
0.2729
0.3793
0.3349
0.2701
0.3010
0.2977
0.3337
0.3555
0.2996

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680

0.7791
0.7360
0.7324
0.7111
0.7616
0.7280
0.7399
0.7089
0.7051
0.7095
0.6998
0.6882
0.6906
0.6919
0.6786
0.6816
0.6837
0.6694
0.6648
0.6580
0.6602
0.5480
0.6472
0.6197
0.5558
0.6393
0.6154
0.6109
0.5571
0.6065
0.5874
0.5916
0.5553
0.5676
0.5887
0.5740
0.5707
0.5539
0.4478
0.5532

A-78

APPENDIX A

: tables of data

Table (A-55) continued.


T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919

0.1757
0.1849
0.1852
0.1895
0.1995
0.2001
0.2022
0.2068
0.2133
0.2173
0.2229
0.2287
0.2310
0.2388
0.2413
0.2413
0.2448
0.2491
0.2538
0.2669
0.2709
0.2720
0.2741
0.2763
0.2796
0.2812
0.2922
0.2932
0.2972
0.2977
0.3071
0.3085
0.3169
0.3226
0.3253
0.3454
0.3527
0.3626
0.3645
0.3700
0.3741
0.3768
0.3782

0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980

0.7384
0.0883
0.3708
0.1711
0.6704
0.4008
0.0465
0.6995
0.7000
0.1244
0.4503
0.0570
0.2182
0.6791
0.6565
0.4815
0.1074
0.3235
0.0674
0.1171
0.6476
0.5327
0.3573
0.1703
0.6311
0.5418
0.5612
0.1331
0.5656
0.3847
0.1938
0.5890
0.5945
0.5925
0.5772
0.1918
0.4461
0.0658
0.5022
0.3478
0.5289
0.2093
0.3845

0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877

0.4215
0.3711
0.3228
0.3357
0.4217
0.3491
0.4635
0.4581
0.4682
0.3997
0.3884
0.4819
0.3891
0.5044
0.4902
0.4218
0.4454
0.4070
0.5006
0.4669
0.5360
0.4817
0.4413
0.4553
0.5390
0.4972
0.5203
0.4914
0.5300
0.4751
0.4852
0.5555
0.5734
0.5734
0.5705
0.5287
0.5556
0.6259
0.5861
0.5495
0.6110
0.5566
0.5660

0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613

0.5114
0.4453
0.5376
0.5001
0.4960
0.5199
0.3381
0.4752
0.4692
0.4492
0.4937
0.3372
0.4691
0.4376
0.4436
0.4712
0.3968
0.4675
0.3313
0.3854
0.4089
0.4311
0.4438
0.4089
0.4036
0.4206
0.4060
0.3737
0.3994
0.4210
0.3904
0.3848
0.3725
0.3734
0.3726
0.3582
0.3664
0.2404
0.3506
0.3612
0.3351
0.3397
0.3519

A-79

APPENDIX A

: tables of data

Table (A-55) continued.


T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3783
0.3787
0.3802
0.3857
0.3892
0.3943
0.3997
0.4002
0.4011
0.4050
0.4143
0.4183
0.4234
0.4329
0.4337
0.4508
0.4536
0.4618
0.4691
0.4748
0.4906
0.4965
0.5004
0.5106
0.5209
0.5212
0.5293
0.5370
0.5373
0.5445
0.5479
0.5638
0.5853
0.5987
0.6091
0.6106
0.6441
0.6489
0.7036

0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.4719
0.1040
0.4707
0.5061
0.5291
0.2479
0.3747
0.3199
0.0754
0.4964
0.2309
0.1162
0.2652
0.3424
0.4001
0.1710
0.2904
0.2456
0.0942
0.3140
0.1853
0.2899
0.2647
0.3338
0.1063
0.1801
0.2012
0.2269
0.2530
0.2830
0.0806
0.1940
0.2671
0.0872
0.2083
0.3003
0.0794
0.0959
0.1038

0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.5914
0.6030
0.5938
0.6096
0.6256
0.5708
0.5869
0.5791
0.6496
0.6259
0.5856
0.6325
0.5977
0.6119
0.6230
0.6312
0.6298
0.6241
0.6851
0.6442
0.6608
0.6573
0.6584
0.6753
0.7130
0.6847
0.6868
0.6920
0.6899
0.6922
0.7499
0.7111
0.7178
0.7735
0.7368
0.7430
0.8022
0.7946
0.8148

0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.3430
0.2794
0.3408
0.3342
0.3259
0.3339
0.3359
0.3357
0.2304
0.3215
0.3217
0.2631
0.3158
0.3136
0.3119
0.2757
0.2945
0.2937
0.2157
0.2866
0.2566
0.2739
0.2707
0.2660
0.1997
0.2382
0.2403
0.2515
0.2452
0.2478
0.1637
0.2215
0.2267
0.1514
0.2053
0.2117
0.1280
0.1400
0.1288

A-80

APPENDIX A

: tables of data

Table (A-56) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and NRTL model for liquid phase of ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3 KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821

0.0379
0.0413
0.0443
0.0451
0.0454
0.0475
0.0496
0.0504
0.0551
0.0572
0.0632
0.0699
0.0708
0.0738
0.0753
0.0760
0.0789
0.0828
0.0876
0.0900
0.0903
0.0914
0.0984
0.1024
0.1032
0.1091
0.1143
0.1163
0.1165
0.1304
0.1336
0.1384
0.1436
0.1441
0.1445
0.1496
0.1571
0.1601
0.1699
0.1738
0.1774

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644

0.8980
0.6626
0.7018
0.2605
0.8848
0.7393
0.8751
0.2995
0.3346
0.5927
0.6466
0.7051
0.5677
0.8585
0.7453
0.6073
0.4858
0.6477
0.8395
0.3385
0.5544
0.0732
0.3705
0.1982
0.0892
0.4108
0.8294
0.2346
0.1145
0.4657
0.6879
0.5664
0.7911
0.7258
0.5077
0.6043
0.5468
0.6425
0.0762
0.3508
0.7468

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377

0.1350
0.0951
0.1062
0.0860
0.1494
0.1195
0.1680
0.0950
0.1042
0.1224
0.1416
0.1666
0.1449
0.2305
0.1892
0.1613
0.1444
0.1829
0.2558
0.1669
0.1852
0.2134
0.1825
0.1909
0.2247
0.1972
0.3242
0.2096
0.2375
0.2453
0.3009
0.2763
0.3841
0.3391
0.2735
0.3048
0.3014
0.3378
0.3600
0.3033
0.4268

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250

0.7879
0.7443
0.7407
0.7191
0.7702
0.7362
0.7483
0.7169
0.7130
0.7175
0.7077
0.6960
0.6984
0.6997
0.6862
0.6893
0.6915
0.6770
0.6723
0.6655
0.6676
0.5542
0.6545
0.6267
0.5620
0.6466
0.6223
0.6178
0.5634
0.6134
0.5941
0.5983
0.5615
0.5741
0.5953
0.5805
0.5771
0.5602
0.4529
0.5595
0.5171

A-81

APPENDIX A

: tables of data

Table (A-56) continued.


T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920

0.1866
0.1869
0.1913
0.2013
0.2020
0.2041
0.2087
0.2153
0.2193
0.2250
0.2308
0.2332
0.2411
0.2435
0.2436
0.2471
0.2514
0.2562
0.2694
0.2734
0.2746
0.2766
0.2789
0.2822
0.2838
0.2949
0.2959
0.3000
0.3005
0.3099
0.3114
0.3199
0.3256
0.3283
0.3486
0.3560
0.3659
0.3679
0.3734
0.3776
0.3803
0.3817
0.3818

0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885

0.0893
0.3751
0.1730
0.6780
0.4054
0.0470
0.7074
0.7079
0.1258
0.4554
0.0576
0.2207
0.6868
0.6640
0.4869
0.1086
0.3272
0.0682
0.1184
0.6550
0.5387
0.3614
0.1722
0.6383
0.5480
0.5676
0.1346
0.5720
0.3890
0.1960
0.5957
0.6012
0.5993
0.5838
0.1940
0.4512
0.0665
0.5079
0.3517
0.5349
0.2117
0.3888
0.4773

0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141

0.3758
0.3268
0.3399
0.4270
0.3534
0.4693
0.4638
0.4740
0.4047
0.3932
0.4879
0.3939
0.5107
0.4963
0.4271
0.4509
0.4120
0.5068
0.4727
0.5427
0.4877
0.4468
0.4610
0.5457
0.5034
0.5268
0.4975
0.5366
0.4811
0.4912
0.5624
0.5805
0.5805
0.5776
0.5353
0.5625
0.6337
0.5934
0.5563
0.6186
0.5636
0.5730
0.5987

0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522

0.4503
0.5437
0.5058
0.5016
0.5258
0.3419
0.4806
0.4745
0.4543
0.4993
0.3410
0.4744
0.4426
0.4486
0.4765
0.4013
0.4728
0.3350
0.3898
0.4135
0.4360
0.4488
0.4135
0.4082
0.4253
0.4105
0.3779
0.4039
0.4257
0.3948
0.3892
0.3767
0.3776
0.3768
0.3623
0.3706
0.2431
0.3546
0.3652
0.3388
0.3436
0.3559
0.3469

A-82

APPENDIX A

: tables of data

Table (A-56) continued.


T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3822
0.3838
0.3893
0.3928
0.3980
0.4034
0.4039
0.4048
0.4088
0.4181
0.4222
0.4274
0.4369
0.4377
0.4550
0.4578
0.4661
0.4735
0.4792
0.4952
0.5011
0.5051
0.5153
0.5258
0.5261
0.5342
0.5420
0.5423
0.5496
0.5530
0.5690
0.5907
0.6043
0.6148
0.6162
0.6501
0.6549
0.7101

0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.1052
0.4761
0.5119
0.5351
0.2507
0.3790
0.3236
0.0763
0.5021
0.2335
0.1175
0.2682
0.3462
0.4047
0.1729
0.2937
0.2484
0.0953
0.3175
0.1874
0.2932
0.2677
0.3377
0.1075
0.1821
0.2035
0.2295
0.2559
0.2863
0.0815
0.1962
0.2701
0.0882
0.2106
0.3037
0.0803
0.0970
0.1050

0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.6105
0.6012
0.6172
0.6334
0.5779
0.5942
0.5864
0.6577
0.6337
0.5929
0.6404
0.6052
0.6195
0.6307
0.6391
0.6377
0.6319
0.6936
0.6523
0.6690
0.6655
0.6666
0.6837
0.7219
0.6932
0.6954
0.7006
0.6985
0.7008
0.7592
0.7199
0.7268
0.7831
0.7460
0.7522
0.8122
0.8045
0.8249

0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.2826
0.3447
0.3380
0.3296
0.3377
0.3397
0.3395
0.2330
0.3251
0.3253
0.2660
0.3193
0.3172
0.3154
0.2789
0.2979
0.2970
0.2182
0.2898
0.2595
0.2770
0.2737
0.2690
0.2019
0.2409
0.2430
0.2543
0.2479
0.2506
0.1656
0.2240
0.2293
0.1531
0.2076
0.2141
0.1294
0.1415
0.1302

A-83

APPENDIX A

: tables of data

Table (A-57) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIQUAC model for liquid phase of ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821

0.0375
0.0409
0.0439
0.0447
0.0450
0.0471
0.0491
0.0499
0.0546
0.0566
0.0626
0.0693
0.0702
0.0731
0.0746
0.0753
0.0782
0.0820
0.0868
0.0892
0.0895
0.0905
0.0975
0.1014
0.1023
0.1081
0.1133
0.1152
0.1154
0.1292
0.1324
0.1371
0.1422
0.1427
0.1432
0.1482
0.1557
0.1586
0.1683
0.1722
0.1757

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644

0.8934
0.6592
0.6982
0.2591
0.8802
0.7355
0.8706
0.2980
0.3329
0.5897
0.6433
0.7015
0.5648
0.8541
0.7414
0.6042
0.4833
0.6443
0.8352
0.3368
0.5516
0.0728
0.3686
0.1972
0.0887
0.4087
0.8251
0.2334
0.1139
0.4634
0.6844
0.5635
0.7870
0.7221
0.5051
0.6012
0.5440
0.6392
0.0758
0.3490
0.7430

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377

0.1350
0.0951
0.1062
0.0860
0.1494
0.1195
0.1680
0.0950
0.1042
0.1224
0.1416
0.1666
0.1449
0.2305
0.1892
0.1613
0.1444
0.1829
0.2558
0.1669
0.1852
0.2134
0.1825
0.1909
0.2247
0.1972
0.3242
0.2096
0.2375
0.2453
0.3009
0.2763
0.3841
0.3391
0.2735
0.3048
0.3014
0.3378
0.3600
0.3033
0.4268

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250

0.7879
0.7443
0.7407
0.7191
0.7702
0.7362
0.7483
0.7169
0.7130
0.7175
0.7077
0.6960
0.6984
0.6997
0.6862
0.6893
0.6915
0.6770
0.6723
0.6655
0.6676
0.5542
0.6545
0.6267
0.5620
0.6466
0.6223
0.6178
0.5634
0.6134
0.5941
0.5983
0.5615
0.5741
0.5953
0.5805
0.5771
0.5602
0.4529
0.5595
0.5171

A-84

APPENDIX A

: tables of data

Table (A-57) continued.


T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920

0.1849
0.1852
0.1895
0.1995
0.2001
0.2022
0.2068
0.2133
0.2173
0.2229
0.2287
0.2310
0.2388
0.2413
0.2413
0.2448
0.2491
0.2538
0.2669
0.2709
0.2720
0.2741
0.2763
0.2796
0.2812
0.2922
0.2932
0.2972
0.2977
0.3071
0.3085
0.3169
0.3226
0.3253
0.3454
0.3527
0.3626
0.3645
0.3700
0.3741
0.3768
0.3782
0.3783

0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885

0.0888
0.3732
0.1721
0.6746
0.4033
0.0468
0.7038
0.7043
0.1252
0.4530
0.0573
0.2196
0.6833
0.6606
0.4844
0.1081
0.3255
0.0678
0.1178
0.6516
0.5360
0.3595
0.1714
0.6350
0.5452
0.5647
0.1339
0.5691
0.3871
0.1950
0.5926
0.5982
0.5962
0.5808
0.1930
0.4489
0.0662
0.5053
0.3499
0.5322
0.2106
0.3869
0.4748

0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141

0.3758
0.3268
0.3399
0.4270
0.3534
0.4693
0.4638
0.4740
0.4047
0.3932
0.4879
0.3939
0.5107
0.4963
0.4271
0.4509
0.4120
0.5068
0.4727
0.5427
0.4877
0.4468
0.4610
0.5457
0.5034
0.5268
0.4975
0.5366
0.4811
0.4912
0.5624
0.5805
0.5805
0.5776
0.5353
0.5625
0.6337
0.5934
0.5563
0.6186
0.5636
0.5730
0.5987

0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522

0.4503
0.5437
0.5058
0.5016
0.5258
0.3419
0.4806
0.4745
0.4543
0.4993
0.3410
0.4744
0.4426
0.4486
0.4765
0.4013
0.4728
0.3350
0.3898
0.4135
0.4360
0.4488
0.4135
0.4082
0.4253
0.4105
0.3779
0.4039
0.4257
0.3948
0.3892
0.3767
0.3776
0.3768
0.3623
0.3706
0.2431
0.3546
0.3652
0.3388
0.3436
0.3559
0.3469

A-85

APPENDIX A

: tables of data

Table (A-57) continued.


T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3787
0.3802
0.3857
0.3892
0.3943
0.3997
0.4002
0.4011
0.4050
0.4143
0.4183
0.4234
0.4329
0.4337
0.4508
0.4536
0.4618
0.4691
0.4748
0.4906
0.4965
0.5004
0.5106
0.5209
0.5212
0.5293
0.5370
0.5373
0.5445
0.5479
0.5638
0.5853
0.5987
0.6091
0.6106
0.6441
0.6489
0.7036

0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.1047
0.4737
0.5092
0.5324
0.2494
0.3770
0.3219
0.0759
0.4995
0.2323
0.1169
0.2668
0.3445
0.4026
0.1720
0.2922
0.2471
0.0948
0.3159
0.1864
0.2917
0.2663
0.3359
0.1069
0.1812
0.2025
0.2283
0.2546
0.2848
0.0811
0.1952
0.2688
0.0878
0.2096
0.3022
0.0799
0.0965
0.1045

0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.6105
0.6012
0.6172
0.6334
0.5779
0.5942
0.5864
0.6577
0.6337
0.5929
0.6404
0.6052
0.6195
0.6307
0.6391
0.6377
0.6319
0.6936
0.6523
0.6690
0.6655
0.6666
0.6837
0.7219
0.6932
0.6954
0.7006
0.6985
0.7008
0.7592
0.7199
0.7268
0.7831
0.7460
0.7522
0.8122
0.8045
0.8249

0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.2826
0.3447
0.3380
0.3296
0.3377
0.3397
0.3395
0.2330
0.3251
0.3253
0.2660
0.3193
0.3172
0.3154
0.2789
0.2979
0.2970
0.2182
0.2898
0.2595
0.2770
0.2737
0.2690
0.2019
0.2409
0.2430
0.2543
0.2479
0.2506
0.1656
0.2240
0.2293
0.1531
0.2076
0.2141
0.1294
0.1415
0.1302

A-86

APPENDIX A

: tables of data

Table (A-58) Isobaric vapor liquid equilibrium data when using PR-EOS for vapor
phase and UNIFAC model for liquid phase of for ternary MTBE(1)+Ethanol(2)+
Octane(3) at 101.3 KPa. Temperature,T, liquid phase xi, vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784
0.1821

0.0377
0.0411
0.0441
0.0449
0.0452
0.0473
0.0493
0.0501
0.0548
0.0569
0.0629
0.0696
0.0704
0.0735
0.0749
0.0756
0.0785
0.0824
0.0871
0.0895
0.0898
0.0909
0.0979
0.1018
0.1027
0.1085
0.1138
0.1157
0.1159
0.1297
0.1329
0.1377
0.1428
0.1433
0.1438
0.1488
0.1563
0.1593
0.1690
0.1729
0.1765

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591
0.7644

0.8980
0.6626
0.7018
0.2605
0.8848
0.7393
0.8751
0.2995
0.3346
0.5927
0.6466
0.7051
0.5677
0.8585
0.7453
0.6073
0.4858
0.6477
0.8395
0.3385
0.5544
0.0732
0.3705
0.1982
0.0892
0.4108
0.8294
0.2346
0.1145
0.4657
0.6879
0.5664
0.7911
0.7258
0.5077
0.6043
0.5468
0.6425
0.0762
0.3508
0.7468

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111
0.4377

0.1350
0.0951
0.1062
0.0860
0.1494
0.1195
0.1680
0.0950
0.1042
0.1224
0.1416
0.1666
0.1449
0.2305
0.1892
0.1613
0.1444
0.1829
0.2558
0.1669
0.1852
0.2134
0.1825
0.1909
0.2247
0.1972
0.3242
0.2096
0.2375
0.2453
0.3009
0.2763
0.3841
0.3391
0.2735
0.3048
0.3014
0.3378
0.3600
0.3033
0.4268

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680
0.5250

0.7879
0.7443
0.7407
0.7191
0.7702
0.7362
0.7483
0.7169
0.7130
0.7175
0.7077
0.6960
0.6984
0.6997
0.6862
0.6893
0.6915
0.6770
0.6723
0.6655
0.6676
0.5542
0.6545
0.6267
0.5620
0.6466
0.6223
0.6178
0.5634
0.6134
0.5941
0.5983
0.5615
0.5741
0.5953
0.5805
0.5771
0.5602
0.4529
0.5595
0.5171

A-87

APPENDIX A

: tables of data

Table (A-58) continued.


T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919
0.3920

0.1857
0.1860
0.1903
0.2003
0.2010
0.2030
0.2077
0.2141
0.2182
0.2238
0.2297
0.2320
0.2398
0.2423
0.2423
0.2458
0.2501
0.2548
0.2680
0.2720
0.2732
0.2752
0.2774
0.2807
0.2824
0.2934
0.2944
0.2985
0.2989
0.3083
0.3098
0.3182
0.3239
0.3266
0.3468
0.3542
0.3641
0.3660
0.3715
0.3757
0.3784
0.3798
0.3798

0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980
0.4885

0.0893
0.3751
0.1730
0.6780
0.4054
0.0470
0.7074
0.7079
0.1258
0.4554
0.0576
0.2207
0.6868
0.6640
0.4869
0.1086
0.3272
0.0682
0.1184
0.6550
0.5387
0.3614
0.1722
0.6383
0.5480
0.5676
0.1346
0.5720
0.3890
0.1960
0.5957
0.6012
0.5993
0.5838
0.1940
0.4512
0.0665
0.5079
0.3517
0.5349
0.2117
0.3888
0.4773

0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877
0.6141

0.3758
0.3268
0.3399
0.4270
0.3534
0.4693
0.4638
0.4740
0.4047
0.3932
0.4879
0.3939
0.5107
0.4963
0.4271
0.4509
0.4120
0.5068
0.4727
0.5427
0.4877
0.4468
0.4610
0.5457
0.5034
0.5268
0.4975
0.5366
0.4811
0.4912
0.5624
0.5805
0.5805
0.5776
0.5353
0.5625
0.6337
0.5934
0.5563
0.6186
0.5636
0.5730
0.5987

0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613
0.3522

0.4503
0.5437
0.5058
0.5016
0.5258
0.3419
0.4806
0.4745
0.4543
0.4993
0.3410
0.4744
0.4426
0.4486
0.4765
0.4013
0.4728
0.3350
0.3898
0.4135
0.4360
0.4488
0.4135
0.4082
0.4253
0.4105
0.3779
0.4039
0.4257
0.3948
0.3892
0.3767
0.3776
0.3768
0.3623
0.3706
0.2431
0.3546
0.3652
0.3388
0.3436
0.3559
0.3469

A-88

APPENDIX A

: tables of data

Table (A-58) continued.


T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3802
0.3818
0.3873
0.3908
0.3959
0.4014
0.4018
0.4027
0.4067
0.4160
0.4201
0.4252
0.4347
0.4355
0.4526
0.4554
0.4637
0.4710
0.4767
0.4926
0.4986
0.5025
0.5127
0.5231
0.5234
0.5315
0.5392
0.5395
0.5468
0.5502
0.5661
0.5877
0.6012
0.6116
0.6131
0.6468
0.6516
0.7065

0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.1052
0.4761
0.5119
0.5351
0.2507
0.3790
0.3236
0.0763
0.5021
0.2335
0.1175
0.2682
0.3462
0.4047
0.1729
0.2937
0.2484
0.0953
0.3175
0.1874
0.2932
0.2677
0.3377
0.1075
0.1821
0.2035
0.2295
0.2559
0.2863
0.0815
0.1962
0.2701
0.0882
0.2106
0.3037
0.0803
0.0970
0.1050

0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.6105
0.6012
0.6172
0.6334
0.5779
0.5942
0.5864
0.6577
0.6337
0.5929
0.6404
0.6052
0.6195
0.6307
0.6391
0.6377
0.6319
0.6936
0.6523
0.6690
0.6655
0.6666
0.6837
0.7219
0.6932
0.6954
0.7006
0.6985
0.7008
0.7592
0.7199
0.7268
0.7831
0.7460
0.7522
0.8122
0.8045
0.8249

0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.2826
0.3447
0.3380
0.3296
0.3377
0.3397
0.3395
0.2330
0.3251
0.3253
0.2660
0.3193
0.3172
0.3154
0.2789
0.2979
0.2970
0.2182
0.2898
0.2595
0.2770
0.2737
0.2690
0.2019
0.2409
0.2430
0.2543
0.2479
0.2506
0.1656
0.2240
0.2293
0.1531
0.2076
0.2141
0.1294
0.1415
0.1302

A-89

APPENDIX A

: tables of data

Table (A-59) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from NRTL model for
Ternary
MTBE(1)+Ethanol(2)+ Octane(3) at 101.3KPa.Temperature,T, liquid phase xi,
vapor phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784

0.0382
0.0417
0.0447
0.0455
0.0458
0.0480
0.0500
0.0508
0.0556
0.0577
0.0638
0.0706
0.0715
0.0745
0.0760
0.0767
0.0796
0.0836
0.0884
0.0908
0.0911
0.0922
0.0993
0.1033
0.1042
0.1101
0.1154
0.1174
0.1176
0.1316
0.1349
0.1397
0.1449
0.1454
0.1459
0.1510
0.1586
0.1616
0.1714
0.1754

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591

0.9081
0.6701
0.7097
0.2634
0.8947
0.7476
0.8850
0.3029
0.3384
0.5994
0.6539
0.7130
0.5741
0.8682
0.7536
0.6141
0.4912
0.6549
0.8490
0.3423
0.5607
0.0740
0.3746
0.2005
0.0902
0.4155
0.8387
0.2372
0.1158
0.4710
0.6957
0.5727
0.8000
0.7340
0.5135
0.6111
0.5530
0.6497
0.0771
0.3548

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111

0.1359
0.0956
0.1068
0.0865
0.1503
0.1203
0.1690
0.0955
0.1049
0.1231
0.1424
0.1677
0.1458
0.2319
0.1903
0.1623
0.1453
0.1840
0.2574
0.1679
0.1863
0.2147
0.1836
0.1921
0.2261
0.1985
0.3262
0.2109
0.2390
0.2468
0.3027
0.2780
0.3864
0.3412
0.2752
0.3067
0.3032
0.3399
0.3622
0.3052

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680

0.7903
0.7465
0.7430
0.7213
0.7725
0.7384
0.7506
0.7191
0.7152
0.7197
0.7099
0.6981
0.7005
0.7019
0.6883
0.6914
0.6936
0.6791
0.6743
0.6675
0.6697
0.5558
0.6565
0.6286
0.5638
0.6485
0.6242
0.6197
0.5651
0.6152
0.5959
0.6001
0.5633
0.5758
0.5971
0.5822
0.5789
0.5619
0.4543
0.5612

A-90

APPENDIX A

: tables of data

Table (A-59) continued.


T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919

0.1790
0.1883
0.1886
0.1931
0.2032
0.2039
0.2059
0.2107
0.2172
0.2214
0.2271
0.2330
0.2353
0.2433
0.2458
0.2458
0.2494
0.2537
0.2585
0.2719
0.2759
0.2771
0.2792
0.2814
0.2848
0.2864
0.2977
0.2986
0.3028
0.3033
0.3128
0.3143
0.3228
0.3286
0.3314
0.3518
0.3593
0.3693
0.3713
0.3769
0.3811
0.3839
0.3852

0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980

0.7552
0.0903
0.3793
0.1750
0.6857
0.4099
0.0475
0.7154
0.7159
0.1273
0.4605
0.0583
0.2232
0.6946
0.6714
0.4924
0.1099
0.3309
0.0690
0.1197
0.6624
0.5448
0.3655
0.1742
0.6455
0.5542
0.5740
0.1361
0.5785
0.3934
0.1982
0.6024
0.6080
0.6060
0.5903
0.1962
0.4563
0.0673
0.5137
0.3557
0.5409
0.2141
0.3932

0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877

0.4294
0.3781
0.3288
0.3420
0.4296
0.3556
0.4722
0.4667
0.4770
0.4072
0.3956
0.4909
0.3963
0.5138
0.4993
0.4297
0.4537
0.4146
0.5099
0.4756
0.5460
0.4907
0.4496
0.4638
0.5491
0.5065
0.5300
0.5006
0.5399
0.4840
0.4942
0.5658
0.5841
0.5841
0.5811
0.5386
0.5659
0.6376
0.5970
0.5598
0.6224
0.5670
0.5765

0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613

0.5187
0.4517
0.5454
0.5073
0.5031
0.5274
0.3429
0.4820
0.4759
0.4557
0.5008
0.3420
0.4758
0.4439
0.4499
0.4780
0.4025
0.4742
0.3360
0.3910
0.4148
0.4373
0.4501
0.4148
0.4094
0.4266
0.4118
0.3791
0.4052
0.4270
0.3960
0.3904
0.3778
0.3788
0.3779
0.3634
0.3717
0.2438
0.3557
0.3664
0.3399
0.3446
0.3570

A-91

APPENDIX A

: tables of data

Table (A-59) continued.


T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3853
0.3857
0.3873
0.3929
0.3964
0.4017
0.4072
0.4077
0.4085
0.4126
0.4220
0.4261
0.4313
0.4410
0.4418
0.4592
0.4620
0.4704
0.4778
0.4836
0.4998
0.5058
0.5098
0.5201
0.5306
0.5309
0.5392
0.5470
0.5473
0.5547
0.5581
0.5743
0.5962
0.6099
0.6205
0.6219
0.6562
0.6610
0.7167

0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.4826
0.1064
0.4815
0.5176
0.5411
0.2535
0.3832
0.3272
0.0772
0.5077
0.2361
0.1189
0.2712
0.3501
0.4092
0.1749
0.2970
0.2511
0.0963
0.3211
0.1895
0.2965
0.2707
0.3415
0.1087
0.1842
0.2058
0.2321
0.2588
0.2895
0.0824
0.1984
0.2732
0.0892
0.2130
0.3072
0.0812
0.0981
0.1062

0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.6024
0.6143
0.6049
0.6210
0.6373
0.5814
0.5978
0.5900
0.6618
0.6376
0.5965
0.6443
0.6089
0.6233
0.6346
0.6430
0.6416
0.6358
0.6979
0.6563
0.6732
0.6696
0.6707
0.6879
0.7263
0.6975
0.6996
0.7049
0.7028
0.7051
0.7639
0.7244
0.7312
0.7879
0.7506
0.7568
0.8172
0.8094
0.8300

0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.3480
0.2835
0.3457
0.3390
0.3306
0.3387
0.3408
0.3406
0.2337
0.3261
0.3263
0.2669
0.3203
0.3181
0.3164
0.2797
0.2988
0.2979
0.2188
0.2907
0.2603
0.2778
0.2746
0.2698
0.2025
0.2417
0.2437
0.2551
0.2487
0.2513
0.1661
0.2247
0.2300
0.1535
0.2083
0.2148
0.1298
0.1420
0.1306

A-92

APPENDIX A

: tables of data

Table (A-60) Isobaric vapor liquid equilibrium data when using PRSV-EOS with
WS mixing rule based on GE from UNIQUAC model for ternary MTBE
(1)+Ethanol(2)+ Octane(3) at 101.3 KPa.Temperature,T, liquid phase xi, vapor
phase, yi
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.0389
0.0424
0.0455
0.0463
0.0466
0.0488
0.0509
0.0517
0.0566
0.0587
0.0649
0.0718
0.0727
0.0758
0.0773
0.0780
0.0810
0.0850
0.0899
0.0924
0.0927
0.0938
0.1010
0.1051
0.1060
0.1120
0.1174
0.1194
0.1196
0.1339
0.1372
0.1421
0.1474
0.1479
0.1484
0.1536
0.1613
0.1644
0.1744
0.1784

0.0379
0.0413
0.0443
0.0451
0.0454
0.0475
0.0496
0.0504
0.0551
0.0572
0.0632
0.0699
0.0708
0.0738
0.0753
0.0760
0.0789
0.0828
0.0876
0.0900
0.0903
0.0914
0.0984
0.1024
0.1032
0.1091
0.1143
0.1163
0.1165
0.1304
0.1336
0.1384
0.1436
0.1441
0.1445
0.1496
0.1571
0.1601
0.1699
0.1738

0.9191
0.6782
0.7183
0.2666
0.9056
0.7567
0.8957
0.3066
0.3425
0.6067
0.6618
0.7217
0.5811
0.8787
0.7628
0.6216
0.4972
0.6629
0.8593
0.3465
0.5675
0.0749
0.3792
0.2029
0.0913
0.4205
0.8489
0.2401
0.1172
0.4767
0.7041
0.5797
0.8097
0.7429
0.5197
0.6185
0.5597
0.6576
0.0780
0.3591

0.9044
0.6673
0.7068
0.2623
0.8911
0.7446
0.8814
0.3017
0.3370
0.5970
0.6512
0.7102
0.5718
0.8646
0.7506
0.6117
0.4892
0.6523
0.8456
0.3410
0.5584
0.0737
0.3731
0.1997
0.0898
0.4138
0.8353
0.2363
0.1153
0.4691
0.6928
0.5704
0.7967
0.7310
0.5114
0.6086
0.5507
0.6471
0.0768
0.3534

0.1385
0.0975
0.1089
0.0882
0.1532
0.1226
0.1723
0.0974
0.1069
0.1255
0.1452
0.1709
0.1486
0.2364
0.1940
0.1654
0.1481
0.1876
0.2624
0.1712
0.1899
0.2189
0.1872
0.1958
0.2305
0.2023
0.3325
0.2150
0.2436
0.2516
0.3086
0.2834
0.3939
0.3478
0.2805
0.3126
0.3091
0.3465
0.3692
0.3111

0.1363
0.0959
0.1072
0.0868
0.1507
0.1206
0.1695
0.0958
0.1052
0.1235
0.1429
0.1682
0.1462
0.2326
0.1909
0.1628
0.1457
0.1846
0.2582
0.1685
0.1869
0.2154
0.1842
0.1927
0.2268
0.1991
0.3272
0.2116
0.2397
0.2476
0.3037
0.2789
0.3876
0.3422
0.2760
0.3076
0.3042
0.3410
0.3633
0.3061

0.7999
0.7556
0.7520
0.7301
0.7819
0.7474
0.7597
0.7278
0.7239
0.7284
0.7185
0.7066
0.7090
0.7104
0.6967
0.6998
0.7020
0.6873
0.6825
0.6756
0.6778
0.5626
0.6645
0.6362
0.5706
0.6564
0.6318
0.6272
0.5720
0.6227
0.6031
0.6074
0.5701
0.5828
0.6044
0.5893
0.5859
0.5687
0.4598
0.5680

0.7847
0.7412
0.7377
0.7162
0.7670
0.7332
0.7453
0.7140
0.7101
0.7146
0.7048
0.6932
0.6955
0.6969
0.6835
0.6865
0.6887
0.6742
0.6695
0.6628
0.6649
0.5519
0.6519
0.6241
0.5598
0.6439
0.6198
0.6153
0.5611
0.6109
0.5916
0.5959
0.5593
0.5717
0.5929
0.5781
0.5748
0.5579
0.4511
0.5572

A-93

APPENDIX A

: tables of data

Table (A-60) continued.


T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.1821
0.1916
0.1919
0.1964
0.2067
0.2074
0.2095
0.2143
0.2210
0.2252
0.2310
0.2370
0.2394
0.2475
0.2500
0.2501
0.2537
0.2581
0.2630
0.2766
0.2807
0.2819
0.2840
0.2863
0.2897
0.2914
0.3028
0.3038
0.3080
0.3085
0.3182
0.3197
0.3284
0.3343
0.3371
0.3579
0.3655
0.3757
0.3777
0.3834
0.3877
0.3905
0.3919

0.1774
0.1866
0.1869
0.1913
0.2013
0.2020
0.2041
0.2087
0.2153
0.2193
0.2250
0.2308
0.2332
0.2411
0.2435
0.2436
0.2471
0.2514
0.2562
0.2694
0.2734
0.2746
0.2766
0.2789
0.2822
0.2838
0.2949
0.2959
0.3000
0.3005
0.3099
0.3114
0.3199
0.3256
0.3283
0.3486
0.3560
0.3659
0.3679
0.3734
0.3776
0.3803
0.3817

0.7644
0.0914
0.3839
0.1771
0.6940
0.4149
0.0481
0.7241
0.7246
0.1288
0.4661
0.0590
0.2259
0.7030
0.6796
0.4984
0.1112
0.3349
0.0698
0.1212
0.6704
0.5514
0.3699
0.1763
0.6533
0.5609
0.5810
0.1378
0.5855
0.3982
0.2006
0.6097
0.6154
0.6134
0.5975
0.1986
0.4618
0.0681
0.5199
0.3600
0.5475
0.2167
0.3980

0.7522
0.0899
0.3778
0.1743
0.6829
0.4083
0.0473
0.7125
0.7130
0.1267
0.4586
0.0581
0.2223
0.6918
0.6687
0.4904
0.1094
0.3295
0.0687
0.1193
0.6597
0.5426
0.3640
0.1735
0.6428
0.5519
0.5717
0.1356
0.5761
0.3918
0.1974
0.5999
0.6056
0.6036
0.5879
0.1954
0.4544
0.0670
0.5116
0.3542
0.5387
0.2132
0.3916

0.4377
0.3854
0.3352
0.3486
0.4379
0.3625
0.4813
0.4757
0.4862
0.4151
0.4033
0.5004
0.4040
0.5238
0.5090
0.4380
0.4625
0.4226
0.5198
0.4848
0.5566
0.5002
0.4583
0.4728
0.5597
0.5163
0.5403
0.5103
0.5504
0.4934
0.5038
0.5768
0.5954
0.5954
0.5924
0.5490
0.5769
0.6499
0.6086
0.5706
0.6345
0.5780
0.5877

0.4307
0.3792
0.3298
0.3430
0.4309
0.3567
0.4736
0.4681
0.4784
0.4085
0.3968
0.4924
0.3975
0.5154
0.5009
0.4310
0.4551
0.4158
0.5115
0.4770
0.5477
0.4922
0.4510
0.4652
0.5507
0.5080
0.5317
0.5021
0.5416
0.4855
0.4957
0.5676
0.5859
0.5859
0.5829
0.5402
0.5677
0.6395
0.5989
0.5615
0.6243
0.5688
0.5783

0.5250
0.4572
0.5520
0.5135
0.5092
0.5338
0.3471
0.4879
0.4817
0.4612
0.5069
0.3462
0.4816
0.4493
0.4554
0.4838
0.4074
0.4800
0.3401
0.3957
0.4198
0.4426
0.4556
0.4198
0.4144
0.4318
0.4168
0.3837
0.4101
0.4322
0.4008
0.3951
0.3824
0.3834
0.3825
0.3678
0.3762
0.2468
0.3600
0.3708
0.3440
0.3488
0.3613

0.5150
0.4485
0.5415
0.5037
0.4995
0.5237
0.3405
0.4786
0.4725
0.4524
0.4973
0.3396
0.4724
0.4408
0.4467
0.4746
0.3997
0.4709
0.3336
0.3882
0.4118
0.4342
0.4469
0.4118
0.4065
0.4236
0.4089
0.3764
0.4023
0.4240
0.3932
0.3876
0.3751
0.3761
0.3752
0.3608
0.3691
0.2421
0.3532
0.3638
0.3375
0.3422
0.3544

A-94

APPENDIX A

: tables of data

Table (A-60) continued.


T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

x1 lit.

x1 cal.

x2 lit.

x2 cal.

y1 lit.

y1 cal.

y2 lit.

y2 cal.

0.3920
0.3924
0.3940
0.3997
0.4033
0.4086
0.4142
0.4147
0.4156
0.4197
0.4293
0.4335
0.4388
0.4486
0.4494
0.4671
0.4700
0.4785
0.4861
0.4920
0.5084
0.5145
0.5186
0.5291
0.5398
0.5401
0.5485
0.5565
0.5568
0.5643
0.5678
0.5842
0.6065
0.6204
0.6312
0.6327
0.6675
0.6724
0.7291

0.3818
0.3822
0.3838
0.3893
0.3928
0.3980
0.4034
0.4039
0.4048
0.4088
0.4181
0.4222
0.4274
0.4369
0.4377
0.4550
0.4578
0.4661
0.4735
0.4792
0.4952
0.5011
0.5051
0.5153
0.5258
0.5261
0.5342
0.5420
0.5423
0.5496
0.5530
0.5690
0.5907
0.6043
0.6148
0.6162
0.6501
0.6549
0.7101

0.4885
0.1077
0.4873
0.5239
0.5477
0.2566
0.3879
0.3312
0.0781
0.5139
0.2390
0.1203
0.2745
0.3544
0.4142
0.1770
0.3006
0.2542
0.0975
0.3250
0.1918
0.3001
0.2740
0.3456
0.1100
0.1864
0.2083
0.2349
0.2619
0.2930
0.0834
0.2008
0.2765
0.0903
0.2156
0.3109
0.0822
0.0993
0.1075

0.4807
0.1060
0.4795
0.5155
0.5389
0.2525
0.3817
0.3259
0.0769
0.5057
0.2352
0.1184
0.2701
0.3487
0.4076
0.1742
0.2958
0.2501
0.0959
0.3198
0.1887
0.2953
0.2696
0.3401
0.1082
0.1834
0.2050
0.2311
0.2577
0.2883
0.0821
0.1976
0.2721
0.0889
0.2122
0.3059
0.0809
0.0977
0.1058

0.6141
0.6262
0.6166
0.6330
0.6496
0.5927
0.6094
0.6014
0.6746
0.6499
0.6081
0.6568
0.6207
0.6354
0.6469
0.6555
0.6540
0.6481
0.7114
0.6690
0.6862
0.6826
0.6837
0.7012
0.7404
0.7110
0.7132
0.7186
0.7164
0.7188
0.7787
0.7384
0.7454
0.8032
0.7651
0.7715
0.8330
0.8251
0.8461

0.6043
0.6162
0.6067
0.6229
0.6392
0.5832
0.5996
0.5918
0.6638
0.6395
0.5984
0.6463
0.6108
0.6252
0.6365
0.6450
0.6435
0.6377
0.7000
0.6583
0.6752
0.6717
0.6728
0.6900
0.7286
0.6996
0.7018
0.7071
0.7049
0.7073
0.7662
0.7266
0.7335
0.7903
0.7529
0.7592
0.8197
0.8119
0.8326

0.3522
0.2869
0.3499
0.3431
0.3346
0.3428
0.3449
0.3447
0.2365
0.3301
0.3303
0.2701
0.3242
0.3220
0.3202
0.2831
0.3024
0.3015
0.2215
0.2942
0.2635
0.2812
0.2779
0.2731
0.2050
0.2446
0.2467
0.2582
0.2517
0.2544
0.1681
0.2274
0.2328
0.1554
0.2108
0.2174
0.1314
0.1437
0.1322

0.3455
0.2814
0.3433
0.3366
0.3282
0.3363
0.3383
0.3382
0.2320
0.3238
0.3240
0.2650
0.3180
0.3159
0.3141
0.2777
0.2967
0.2958
0.2173
0.2886
0.2585
0.2759
0.2726
0.2679
0.2011
0.2400
0.2420
0.2533
0.2469
0.2496
0.1649
0.2231
0.2284
0.1524
0.2068
0.2133
0.1289
0.1410
0.1297

A-95

APPENDIX B

: tables of K-values

APPENDIX B
TABLES OF EQUILIBRIUM CONSTANT FOR
BINARY &TERNARY SYSTEMS
K-VALUES
B.1 BINARY SYSTEMES:
B.1.1 binary system ()
[Ethanol (1) +2-methyl-2-propanol (2)]
Table (B-1) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by
using SRK-EOS for two phases at 101.3KPa.
T/K
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

K1 lit.

k1cal.

1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0000

1.1034
1.1022
1.1015
1.1018
1.0993
1.0983
1.0975
1.0977
1.0968
1.0972
1.0954
1.0930
1.0909
1.0896
1.0870
1.0817
1.0813
1.0778
1.0714
1.0599
1.0563
1.0484
1.0454
1.0412
1.0371
1.0360
1.0345
1.0286
1.0202

B-1

K2lit.
1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654

K2 cal.
1.0000
0.9965
0.9926
0.9897
0.9873
0.9807
0.9712
0.9612
0.9551
0.9416
0.9354
0.9256
0.9079
0.8971
0.8877
0.8821
0.8648
0.8565
0.8474
0.8262
0.7942
0.7855
0.7685
0.7611
0.7486
0.7374
0.7348
0.7292
0.7111
0.6724

APPENDIX B

: tables of K-values

Table (B-2) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by


using PR-EOS for two phases at 101.3KPa.
T/K
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

K1 lit.

k1cal.

1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0000

1.0907
1.0895
1.0888
1.0890
1.0866
1.0856
1.0848
1.0850
1.0841
1.0845
1.0827
1.0803
1.0783
1.0770
1.0744
1.0692
1.0688
1.0653
1.0590
1.0476
1.0441
1.0363
1.0333
1.0291
1.0251
1.0240
1.0225
1.0167
1.0084

B-2

K2lit.
1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654

K2 cal.
1.0000
0.9969
0.9934
0.9908
0.9887
0.9829
0.9744
0.9655
0.9600
0.9479
0.9424
0.9337
0.9179
0.9083
0.9000
0.8953
0.8805
0.8731
0.8656
0.8482
0.8241
0.8184
0.8092
0.8057
0.7999
0.7967
0.7965
0.7948
0.7958
0.8140

APPENDIX B

: tables of K-values

Table (B-3) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by


using SRK-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.
K1 lit.

K1 cal.

K2 lit.

K2 cal.

355.43

1.0816

1.0727

1.0000

1.0000

0.9971

0.9975

355.35

1.0804

1.0716

0.9937

0.9946

355.29

1.0798

1.0709

0.9914

0.9925

355.24

1.0800

1.0711

0.9893

0.9908

355.12

1.0776

1.0687

0.9838

0.9861

354.95

1.0766

1.0678

0.9758

0.9793

354.78

1.0758

1.0670

0.9672

0.9721

354.70

1.0760

1.0672

0.9619

0.9676

354.49

1.0751

1.0662

0.9500

0.9578

354.41

1.0755

1.0667

0.9445

0.9531

354.26

1.0738

1.0649

0.9359

0.9462

354.02

1.0713

1.0625

0.9201

0.9337

353.87

1.0694

1.0606

0.9104

0.9263

353.76

1.0681

1.0593

0.9019

0.9197

353.67

1.0655

1.0567

0.8972

0.9166

353.43

1.0603

1.0516

0.8820

0.9064

353.35

1.0599

1.0512

0.8741

0.9006

353.22

1.0564

1.0478

0.8662

0.8961

352.97

1.0502

1.0416

0.8473

0.8859

352.58

1.0389

1.0304

0.8198

0.8777

352.48

1.0354

1.0269

0.8128

0.8782

352.26

1.0277

1.0192

0.8008

0.8864

352.18

1.0248

1.0164

0.7956

0.8917

352.06

1.0206

1.0122

0.7861

0.9027

351.94

1.0166

1.0082

0.7791

0.9208

351.91

1.0155

1.0072

0.7779

0.9271

351.87

1.0140

1.0057

0.7736

0.9370

351.71

1.0083

1.0000

0.7654

1.0000

351.44

1.0000

0.9918

T/K
335.53

B-3

1.3077

APPENDIX B

: tables of K-values

Table (B-4) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by


using SRK-EOS for vapor phase and UNIQUAC model for liquid phase at
101.3KPa.
T/K

K1 lit.

K1 cal.

335.53

K2 lit.

K2 cal.

1.0000

1.0000

355.43

1.0816

1.0861

0.9971

0.9971

355.35

1.0804

1.0849

0.9937

0.9937

355.29

1.0798

1.0842

0.9914

0.9913

355.24

1.0800

1.0845

0.9893

0.9892

355.12

1.0776

1.0821

0.9838

0.9836

354.95

1.0766

1.0811

0.9758

0.9756

354.78

1.0758

1.0803

0.9672

0.9671

354.70

1.0760

1.0805

0.9619

0.9619

354.49

1.0751

1.0795

0.9500

0.9503

354.41

1.0755

1.0800

0.9445

0.9450

354.26

1.0738

1.0782

0.9359

0.9367

354.02

1.0713

1.0758

0.9201

0.9216

353.87

1.0694

1.0738

0.9104

0.9126

353.76

1.0681

1.0725

0.9019

0.9046

353.67

1.0655

1.0699

0.8972

0.9003

353.43

1.0603

1.0647

0.8820

0.8866

353.35

1.0599

1.0643

0.8741

0.8796

353.22

1.0564

1.0608

0.8662

0.8727

352.97

1.0502

1.0546

0.8473

0.8569

352.58

1.0389

1.0432

0.8198

0.8362

352.48

1.0354

1.0397

0.8128

0.8318

352.26

1.0277

1.0319

0.8008

0.8263

352.18

1.0248

1.0290

0.7956

0.8245

352.06

1.0206

1.0249

0.7861

0.8221

351.94

1.0166

1.0208

0.7791

0.8230

351.91

1.0155

1.0197

0.7779

0.8240

351.87

1.0140

1.0182

0.7736

0.8244

351.71

1.0083

1.0125

0.7654

0.8363

351.44

1.0000

1.0042

B-4

0.8947

APPENDIX B

: tables of K-values

Table (B-5) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by


using SRK-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K

K1 lit.

K1 cal.

335.53

K2 lit.

K2 cal.

1.0000

1.0000

355.43

1.0816

1.0873

0.9971

0.9970

355.35

1.0804

1.0861

0.9937

0.9936

355.29

1.0798

1.0854

0.9914

0.9911

355.24

1.0800

1.0856

0.9893

0.9891

355.12

1.0776

1.0832

0.9838

0.9834

354.95

1.0766

1.0822

0.9758

0.9753

354.78

1.0758

1.0814

0.9672

0.9667

354.70

1.0760

1.0816

0.9619

0.9614

354.49

1.0751

1.0807

0.9500

0.9497

354.41

1.0755

1.0811

0.9445

0.9443

354.26

1.0738

1.0794

0.9359

0.9359

354.02

1.0713

1.0769

0.9201

0.9206

353.87

1.0694

1.0749

0.9104

0.9115

353.76

1.0681

1.0736

0.9019

0.9034

353.67

1.0655

1.0710

0.8972

0.8990

353.43

1.0603

1.0658

0.8820

0.8850

353.35

1.0599

1.0654

0.8741

0.8779

353.22

1.0564

1.0619

0.8662

0.8708

352.97

1.0502

1.0557

0.8473

0.8546

352.58

1.0389

1.0443

0.8198

0.8330

352.48

1.0354

1.0408

0.8128

0.8282

352.26

1.0277

1.0330

0.8008

0.8217

352.18

1.0248

1.0301

0.7956

0.8194

352.06

1.0206

1.0259

0.7861

0.8160

351.94

1.0166

1.0218

0.7791

0.8157

351.91

1.0155

1.0208

0.7779

0.8164

351.87

1.0140

1.0193

0.7736

0.8163

351.71

1.0083

1.0135

0.7654

0.8250

351.44

1.0000

1.0052

B-5

0.8718

APPENDIX B

: tables of K-values

Table (B-6) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by


using PR-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K

K1 lit.

K1 cal.

K2 lit.

K2 cal.

1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654

1.0000
0.9972
0.9940
0.9918
0.9899
0.9846
0.9771
0.9691
0.9641
0.9533
0.9482
0.9404
0.9263
0.9179
0.9104
0.9066
0.8942
0.8875
0.8816
0.8677
0.8515
0.8488
0.8482
0.8490
0.8512
0.8582
0.8610
0.8647
0.8942

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71

1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083

1.0805
1.0793
1.0786
1.0789
1.0765
1.0755
1.0747
1.0749
1.0740
1.0744
1.0727
1.0702
1.0683
1.0670
1.0644
1.0592
1.0588
1.0554
1.0492
1.0378
1.0344
1.0266
1.0237
1.0196
1.0155
1.0145
1.0130
1.0072

351.44

1.0000

0.9990

B-6

1.0323

APPENDIX B

: tables of K-values

Table (B-7) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by


using PR-EOS for vapor phase and UNIQUAC model for liquid phase at
101.3KPa.
T/K

K1 lit.

K1 cal.

K2 lit.

K2 cal.

335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71

1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083

1.0861
1.0849
1.0842
1.0845
1.0821
1.0811
1.0803
1.0805
1.0795
1.0800
1.0782
1.0758
1.0738
1.0725
1.0699
1.0647
1.0643
1.0608
1.0546
1.0432
1.0397
1.0319
1.0290
1.0248
1.0208
1.0197
1.0182
1.0125

1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654

1.0000
0.9971
0.9937
0.9912
0.9892
0.9836
0.9756
0.9670
0.9618
0.9502
0.9448
0.9365
0.9213
0.9122
0.9042
0.8998
0.8860
0.8789
0.8719
0.8558
0.8346
0.8300
0.8240
0.8220
0.8191
0.8195
0.8204
0.8206
0.8315

351.44

1.0000

1.0041

B-7

0.8889

APPENDIX B

: tables of K-values

Table (B-8) K-values of binary system ethanol (1) + 2-methyl-2-propanol (2) by


using PR-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K

K1 lit.

K1 cal.

335.53

K2 lit.

K2 cal.

1.0000

1.0000

355.43

1.0816

1.0884

0.9971

0.9970

355.35

1.0804

1.0872

0.9937

0.9935

355.29

1.0798

1.0865

0.9914

0.9910

355.24

1.0800

1.0867

0.9893

0.9889

355.12

1.0776

1.0843

0.9838

0.9832

354.95

1.0766

1.0833

0.9758

0.9750

354.78

1.0758

1.0825

0.9672

0.9662

354.70

1.0760

1.0827

0.9619

0.9608

354.49

1.0751

1.0818

0.9500

0.9489

354.41

1.0755

1.0823

0.9445

0.9434

354.26

1.0738

1.0805

0.9359

0.9349

354.02

1.0713

1.0780

0.9201

0.9193

353.87

1.0694

1.0760

0.9104

0.9099

353.76

1.0681

1.0748

0.9019

0.9017

353.67

1.0655

1.0721

0.8972

0.8972

353.43

1.0603

1.0669

0.8820

0.8828

353.35

1.0599

1.0665

0.8741

0.8754

353.22

1.0564

1.0630

0.8662

0.8681

352.97

1.0502

1.0568

0.8473

0.8512

352.58

1.0389

1.0454

0.8198

0.8281

352.48

1.0354

1.0419

0.8128

0.8227

352.26

1.0277

1.0341

0.8008

0.8147

352.18

1.0248

1.0312

0.7956

0.8117

352.06

1.0206

1.0270

0.7861

0.8069

351.94

1.0166

1.0229

0.7791

0.8050

351.91

1.0155

1.0218

0.7779

0.8052

351.87

1.0140

1.0203

0.7736

0.8041

351.71

1.0083

1.0146

0.7654

0.8088

351.44

1.0000

1.0062

B-8

0.8421

APPENDIX B

: tables of K-values

Table (B-9) K-values of binary system ethanol (1)+ 2-methyl-2-propanol(2) by


using PRSV-EOS with WS mixing rule based on GE from NRTL model at
101.3KPa.
T/K

K1 lit.

K1 cal.

335.53

K2 lit.

K2 cal.

1.0000

1.0000

355.43

1.0816

1.0838

0.9971

0.9971

355.35

1.0804

1.0826

0.9937

0.9937

355.29

1.0798

1.0820

0.9914

0.9913

355.24

1.0800

1.0822

0.9893

0.9893

355.12

1.0776

1.0798

0.9838

0.9837

354.95

1.0766

1.0788

0.9758

0.9757

354.78

1.0758

1.0780

0.9672

0.9671

354.70

1.0760

1.0782

0.9619

0.9618

354.49

1.0751

1.0773

0.9500

0.9501

354.41

1.0755

1.0777

0.9445

0.9446

354.26

1.0738

1.0760

0.9359

0.9362

354.02

1.0713

1.0735

0.9201

0.9207

353.87

1.0694

1.0716

0.9104

0.9113

353.76

1.0681

1.0703

0.9019

0.9031

353.67

1.0655

1.0676

0.8972

0.8985

353.43

1.0603

1.0624

0.8820

0.8841

353.35

1.0599

1.0621

0.8741

0.8766

353.22

1.0564

1.0586

0.8662

0.8692

352.97

1.0502

1.0524

0.8473

0.8518

352.58

1.0389

1.0410

0.8198

0.8278

352.48

1.0354

1.0376

0.8128

0.8222

352.26

1.0277

1.0298

0.8008

0.8137

352.18

1.0248

1.0269

0.7956

0.8105

352.06

1.0206

1.0227

0.7861

0.8052

351.94

1.0166

1.0186

0.7791

0.8032

351.91

1.0155

1.0176

0.7779

0.8035

351.87

1.0140

1.0161

0.7736

0.8024

351.71

1.0083

1.0103

0.7654

0.8096

351.44

1.0000

1.0020

B-9

0.8889

APPENDIX B

: tables of K-values

Table (B-10) K-values of binary system ethanol (1)+ 2-methyl-2-propanol(2) by


using PRSV-EOS with WS mixing rule based on GE from UNIQUAC model at
101.3KPa.
K1 lit.

K1 cal.

K2 lit.

K2 cal.

355.43

1.0816

1.0838

1.0000

1.0000

0.9971

0.9971

355.35

1.0804

1.0826

0.9937

0.9937

355.29

1.0798

1.0819

0.9914

0.9913

355.24

1.0800

1.0822

0.9893

0.9893

355.12

1.0776

1.0798

0.9838

0.9837

354.95

1.0766

1.0788

0.9758

0.9756

354.78

1.0758

1.0780

0.9672

0.9670

354.70

1.0760

1.0782

0.9619

0.9617

354.49

1.0751

1.0773

0.9500

0.9499

354.41

1.0755

1.0777

0.9445

0.9444

354.26

1.0738

1.0759

0.9359

0.9359

354.02

1.0713

1.0735

0.9201

0.9204

353.87

1.0694

1.0715

0.9104

0.9109

353.76

1.0681

1.0703

0.9019

0.9026

353.67

1.0655

1.0676

0.8972

0.8980

353.43

1.0603

1.0624

0.8820

0.8834

353.35

1.0599

1.0621

0.8741

0.8758

353.22

1.0564

1.0586

0.8662

0.8683

352.97

1.0502

1.0524

0.8473

0.8507

352.58

1.0389

1.0410

0.8198

0.8260

352.48

1.0354

1.0375

0.8128

0.8201

352.26

1.0277

1.0298

0.8008

0.8110

352.18

1.0248

1.0269

0.7956

0.8074

352.06

1.0206

1.0227

0.7861

0.8013

351.94

1.0166

1.0186

0.7791

0.7985

351.91

1.0155

1.0176

0.7779

0.7986

351.87

1.0140

1.0161

0.7736

0.7969

351.71

1.0083

1.0103

0.7654

0.8018

351.44

1.0000

1.0020

T/K
335.53

B-10

0.8750

APPENDIX B

: tables of K-values

B.1.2 binary system()

[MTBE (1) + Ethanol (2)]


Table (B-11) K-values of binary system MTBE (1) + Ethanol (2) by using SRKEOS for two phases at 101.3KPa.
T/K

351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

k1cal.

3.6187
2.8510
2.4699
2.3043
2.1083
1.7884
1.6290
1.4758
1.2681
1.1726
1.1495
1.1141
1.1062
1.0766
1.0618
1.0363
1.0241
1.0217
1.0183
1.0168
1.0181

K2lit.

1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.

1.0000
0.8006
0.6820
0.6283
0.6119
0.5964
0.5790
0.5726
0.5825
0.6455
0.6654
0.6790
0.7108
0.7154
0.7522
0.7690
0.8161
0.8364
0.8427
0.8404
0.8252
0.7119

Table (B-12) K-values of binary system MTBE(1) + Ethanol(2) by using PR-EOS


for two phases at 101.3KPa.
T/K

K1 lit.

k1cal.

351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5881
2.8269
2.4490
2.2848
2.0904
1.7733
1.6153
1.4633
1.2574
1.1627
1.1398
1.1047
1.0968
1.0675
1.0528
1.0275
1.0154
1.0130
1.0097
1.0082
1.0095

B-11

K2lit.

K2 cal.

1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

1.0000
0.8004
0.6818
0.6282
0.6119
0.5965
0.5797
0.5737
0.5844
0.6503
0.6736
0.6886
0.7234
0.7290
0.7704
0.7911
0.8500
0.8848
0.8954
0.9049
0.9017
0.8125

APPENDIX B

: tables of K-values

Table (B-13) K-values of binary system MTBE(1)+ Ethanol(2) by using SRK-EOS


for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5288
2.7801
2.4086
2.2471
2.0559
1.7440
1.5886
1.4391
1.2366
1.1434
1.1209
1.0864
1.0787
1.0499
1.0354
1.0106
0.9987
0.9963
0.9930
0.9915
0.9928

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.8015
0.6839
0.6309
0.6150
0.6003
0.5850
0.5805
0.5934
0.6655
0.6971
0.7154
0.7570
0.7649
0.8171
0.8475
0.9356
1.0116
1.0352
1.0842
1.1291
1.2188

Table (B-14) K-values of binary system MTBE(1)+ Ethanol by using SRK-EOS for
vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

B-12

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.8010
0.6830
0.6297
0.6136
0.5986
0.5827
0.5775
0.5894
0.6588
0.6866
0.7034
0.7419
0.7488
0.7960
0.8219
0.8961
0.9519
0.9690
0.9977
1.0169
1.0000

APPENDIX B

: tables of K-values

Table (B-15) K-values of binary system MTBE (1) +Ethanol (2) by using SRKEOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5657
2.8092
2.4337
2.2705
2.0773
1.7622
1.6052
1.4541
1.2495
1.1554
1.1326
1.0978
1.0900
1.0608
1.0462
1.0211
1.0091
1.0067
1.0033
1.0019
1.0031

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.8008
0.6826
0.6292
0.6130
0.5979
0.5817
0.5763
0.5878
0.6559
0.6822
0.6984
0.7356
0.7420
0.7872
0.8113
0.8802
0.9284
0.9432
0.9647
0.9754
0.9286

Table (B-16) K-values of binary system MTBE(1)+Ethanol(2) by using PR-EOS


for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5289
2.7802
2.4086
2.2471
2.0559
1.7440
1.5886
1.4391
1.2366
1.1435
1.1210
1.0865
1.0787
1.0499
1.0354
1.0106
0.9987
0.9963
0.9930
0.9916
0.9928

B-13

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.8006
0.6823
0.6289
0.6129
0.5980
0.5823
0.5775
0.5901
0.6621
0.6931
0.7113
0.7530
0.7609
0.8134
0.8439
0.9335
1.0118
1.0364
1.0885
1.1378
1.2500

APPENDIX B

: tables of K-values

Table (B-17) K-values of binary system MTBE(1)+Ethanol(2)) by using PR-EOS


for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5619
2.8062
2.4311
2.2681
2.0752
1.7603
1.6035
1.4526
1.2482
1.1542
1.1314
1.0966
1.0888
1.0597
1.0451
1.0200
1.0080
1.0056
1.0023
1.0008
1.0021

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.8000
0.6812
0.6274
0.6111
0.5959
0.5793
0.5737
0.5850
0.6535
0.6796
0.6959
0.7336
0.7401
0.7862
0.8108
0.8822
0.9337
0.9497
0.9743
0.9882
0.9459

Table (B-18) K-values of binary system MTBE (1)+ Ethanol(2) by using PR-EOS
for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5693
2.8120
2.4362
2.2729
2.0795
1.7640
1.6068
1.4556
1.2508
1.1566
1.1338
1.0989
1.0911
1.0619
1.0473
1.0222
1.0101
1.0077
1.0044
1.0029
1.0042

B-14

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.7999
0.6809
0.6271
0.6107
0.5954
0.5786
0.5728
0.5839
0.6516
0.6767
0.6926
0.7294
0.7356
0.7804
0.8038
0.8716
0.9180
0.9324
0.9521
0.9602
0.8974

APPENDIX B

: tables of K-values

Table (B-19) K-values of binary system MTBE(1)+Ethanol by using PRSV-EOS


with WS mixing rule based on GE from NRTL model at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5437
2.7919
2.4187
2.2566
2.0646
1.7514
1.5953
1.4452
1.2418
1.1483
1.1257
1.0910
1.0833
1.0543
1.0398
1.0148
1.0029
1.0005
0.9972
0.9957
0.9970

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.7961
0.6744
0.6190
0.6020
0.5860
0.5680
0.5613
0.5719
0.6415
0.6669
0.6838
0.7238
0.7307
0.7812
0.8091
0.8953
0.9693
0.9943
1.0452
1.0949
1.2308

Table (B-20) K-values of binary system MTBE(1)+Ethanol(2) by using PRSVEOS with WS mixing rule based on GE from UNIQUAC model at 101.3KPa.
T/K
351.44
345.39
340.75
338.26
337.31
336.01
333.94
332.79
331.79
330.76
329.42
329.20
328.91
328.84
328.57
328.38
328.15
328.00
327.99
327.95
327.95
328.14

K1 lit.

K1 cal.

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

3.5545
2.8004
2.4261
2.2634
2.0708
1.7567
1.6001
1.4496
1.2456
1.1518
1.1291
1.0944
1.0866
1.0575
1.0429
1.0179
1.0059
1.0035
1.0002
0.9988
1.0000

B-15

K2 lit.
1.0000
0.7923
0.6677
0.6106
0.5929
0.5759
0.5558
0.5474
0.5563
0.6237
0.6440
0.6596
0.6979
0.7037
0.7520
0.7771
0.8587
0.9255
0.9499
0.9957
1.0393

K2 cal.
1.0000
0.7965
0.6752
0.6199
0.6031
0.5870
0.5690
0.5623
0.5728
0.6413
0.6657
0.6820
0.7206
0.7271
0.7751
0.8010
0.8794
0.9410
0.9613
0.9970
1.0241
1.0000

APPENDIX B

: tables of K-values

B.1.3 binary system ()

[MTBE (1) +Octane (2)]

Table (B-21) K-values of binary system MTBE (1) +Octane (2) by using SRK-EOS
for two phases at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

k1cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.3560
4.1384
3.5176
2.8909
2.6970
2.4679
2.2674
2.0091
1.7739
1.6398
1.5447
1.4784
1.3405
1.2450
1.1794
1.0970
1.0608
1.0105

K2lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6127
0.5731
0.4667
0.3830
0.3463
0.3221
0.2978
0.2728
0.2563
0.2504
0.2433
0.2438
0.2529
0.2669
0.2972
0.3691
0.4510
0.7959

Table (B-22)K-values of binary system MTBE(1)+Octane(2) by using PR-EOS for


two phases at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

k1cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094
1.0094

B-16

K2lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.9989
0.9987
0.9980
0.9969
0.9963
0.9956
0.9947
0.9932
0.9909
0.9889
0.9868
0.9849
0.9790
0.9713
0.9623
0.9367
0.9112
0.8000

APPENDIX B

: tables of K-values

Table (B-23) K-values of binary system MTBE(1)+Octane(2) by using SRK-EOS


for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.2708
4.0574
3.4488
2.8344
2.6443
2.4196
2.2230
1.9698
1.7392
1.6078
1.5145
1.4494
1.3143
1.2207
1.1563
1.0755
1.0400
0.9908

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6128
0.5732
0.4667
0.3829
0.3462
0.3220
0.2977
0.2728
0.2566
0.2512
0.2445
0.2454
0.2567
0.2743
0.3109
0.4083
0.5323
1.3333

Table (B-24) K-values of binary system MTBE (1) +Octane (2) by using SRK-EOS
for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.3062
4.0911
3.4774
2.8579
2.6662
2.4397
2.2415
1.9861
1.7537
1.6211
1.5270
1.4615
1.3252
1.2308
1.1659
1.0845
1.0487
0.9990

B-17

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6122
0.5725
0.4659
0.3819
0.3451
0.3207
0.2963
0.2712
0.2545
0.2487
0.2416
0.2421
0.2518
0.2671
0.3001
0.3836
0.4856
1.0286

APPENDIX B

: tables of K-values

Table (B-25) K-values of binary system MTBE (1)+ Octane (2) by using SRK-EOS
for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.3241
4.1081
3.4918
2.8698
2.6773
2.4498
2.2508
1.9944
1.7610
1.6278
1.5334
1.4675
1.3307
1.2359
1.1708
1.0890
1.0530
1.0031

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6119
0.5722
0.4654
0.3814
0.3445
0.3201
0.2956
0.2703
0.2535
0.2474
0.2401
0.2405
0.2494
0.2636
0.2949
0.3723
0.4653
0.9231

Table (B-26) K-values of binary system MTBE (1) + Octane (2) by using PR-EOS
for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.2973
4.0827
3.4702
2.8520
2.6607
2.4347
2.2369
1.9820
1.7501
1.6178
1.5239
1.4585
1.3225
1.2283
1.1635
1.0822
1.0465
0.9969

B-18

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6105
0.5707
0.4634
0.3787
0.3415
0.3169
0.2920
0.2663
0.2489
0.2424
0.2346
0.2345
0.2426
0.2559
0.2872
0.3674
0.4706
1.1034

APPENDIX B

: tables of K-values

Table (B-27) K-values of binary system MTBE (1) +Octane(2) by using PR-EOS
for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.3196
4.1038
3.4882
2.8668
2.6745
2.4473
2.2484
1.9923
1.7591
1.6261
1.5318
1.4660
1.3293
1.2346
1.1695
1.0878
1.0519
1.0021

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6101
0.5703
0.4629
0.3781
0.3408
0.3161
0.2912
0.2653
0.2476
0.2408
0.2328
0.2325
0.2397
0.2517
0.2809
0.3534
0.4445
0.9412

Table (B-28) K-values of binary system MTBE (1)+Octane(2)by using PR- EOS
for vapor phase and UNIFAC model for liquid phase at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.3330
4.1166
3.4990
2.8757
2.6828
2.4549
2.2554
1.9985
1.7646
1.6312
1.5366
1.4706
1.3335
1.2385
1.1732
1.0912
1.0552
1.0052

B-19

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6099
0.5700
0.4625
0.3777
0.3404
0.3156
0.2907
0.2647
0.2468
0.2399
0.2318
0.2314
0.2380
0.2492
0.2772
0.3455
0.4302
0.8649

APPENDIX B

: tables of K-values

Table (B-29) K-values of binary system MTBE(1)+Octane(2) by using PRSVEOS with WS mixing rule based on GE from NRTL model at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.3194
4.1036
3.4880
2.8667
2.6744
2.4472
2.2484
1.9922
1.7590
1.6261
1.5317
1.4659
1.3293
1.2346
1.1695
1.0878
1.0519
1.0020

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6016
0.5606
0.4500
0.3617
0.3227
0.2962
0.2691
0.2398
0.2176
0.2071
0.1950
0.1913
0.1880
0.1860
0.2002
0.2294
0.2832
0.8667

Table (B-30) K-values of binary system MTBE(1)+Octane(2) by using PRSVEOS with WS mixing rule based on GE from UNIQUAC model at 101.3KPa.
T/K
398.80
380.19
377.93
370.27
363.08
359.52
356.39
353.19
349.16
345.14
342.47
340.41
338.94
336.02
333.72
332.08
329.88
329.01
328.14

K1 lit.

K1 cal.

4.3107
4.0953
3.4810
2.8608
2.6689
2.4422
2.2438
1.9882
1.7555
1.6228
1.5286
1.4630
1.3266
1.2321
1.1671
1.0856
1.0498
1.0000

4.3063
4.0911
3.4774
2.8579
2.6662
2.4397
2.2415
1.9862
1.7537
1.6211
1.5271
1.4615
1.3252
1.2308
1.1659
1.0845
1.0487
0.9990

B-20

K2 lit.
1.0000
0.5958
0.5542
0.4413
0.3506
0.3103
0.2826
0.2540
0.2223
0.1968
0.1835
0.1683
0.1621
0.1505
0.1369
0.1374
0.1196
0.1163

K2 cal.
1.0000
0.6040
0.5634
0.4537
0.3664
0.3279
0.3019
0.2755
0.2472
0.2263
0.2170
0.2061
0.2035
0.2036
0.2063
0.2260
0.2729
0.3471
1.0588

APPENDIX B

: tables of K-values

B.2 Ternary SYSTEMES:


B.2.1 ternary system ()

[MTBE (1) +Ethanol (2) + 2-methyl-2-propanol (3) ]


Table (B-31) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using SRK-EOS for two phases at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal..

K3 lit

K3cal.

350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
2.955

4.170
4.359
4.084
4.187
4.117
4.115
3.378
3.838
3.410
3.420
3.159
3.503
3.682
3.368
3.443
3.696
3.021
3.511
3.119
2.824
3.000
3.474
3.100
3.427
2.940
3.352
2.941
2.698
3.414
3.336
3.268
3.160
3.340
2.628
3.262
3.212
3.089
2.756
2.875
3.128
2.647
3.095
2.870
3.018

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.759

0.977
0.954
0.977
0.927
0.957
0.932
0.969
0.887
0.951
0.933
0.959
0.915
0.862
0.928
0.909
0.833
0.959
0.884
0.936
0.950
0.939
0.852
0.915
0.834
0.890
0.829
0.923
0.945
0.797
0.792
0.818
0.842
0.756
0.920
0.749
0.783
0.807
0.877
0.853
0.730
0.879
0.751
0.826
0.770

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.571

0.749
0.710
0.761
0.705
0.733
0.709
0.823
0.690
0.791
0.764
0.826
0.733
0.661
0.763
0.734
0.639
0.833
0.696
0.805
0.840
0.813
0.658
0.776
0.643
0.719
0.637
0.790
0.821
0.610
0.605
0.640
0.672
0.605
0.803
0.594
0.602
0.633
0.748
0.706
0.590
0.758
0.574
0.673
0.598

B-21

APPENDIX B

: tables of K-values

Table (B-31) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.352
2.241
2.304
2.175
2.199
2.278
2.292
2.180
2.125
2.102
2.140
2.147
2.053
2.105
2.084
2.009
2.010
1.982
1.914
1.977
1.947
1.954
1.901
1.861
1.851
1.849
1.821
1.812
1.816
1.806
1.753
1.741
1.728
1.730
1.723
1.707
1.687
1.683
1.618
1.599
1.602
1.600
1.586
1.585

0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.675
0.752
0.62
0.769
0.719
0.683
0.635
0.711
0.746
0.746
0.61
0.653
0.742
0.638
0.673
0.714
0.626
0.643
0.731
0.602
0.665
0.643
0.687
0.710
0.713
0.571
0.713
0.618
0.641
0.622
0.677
0.683
0.586
0.694
0.646
0.653
0.608
0.590
0.667
0.674
0.683
0.693
0.605
0.620

0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.515
0.591
0.520
0.625
0.557
0.523
0.490
0.542
0.574
0.594
0.491
0.494
0.600
0.476
0.517
0.546
0.474
0.481
0.574
0.460
0.492
0.476
0.511
0.531
0.545
0.475
0.538
0.460
0.471
0.457
0.499
0.502
0.459
0.518
0.469
0.466
0.445
0.452
0.479
0.481
0.498
0.504
0.445
0.448

B-22

APPENDIX B

: tables of K-values

Table (B-32) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for two phases at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24
345.22

K1 lit.

K1cal.

K2 lit

K2cal..

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811
2.955

4.161
4.350
4.076
4.178
4.109
4.106
3.370
3.830
3.402
3.413
3.152
3.496
3.674
3.361
3.435
3.688
3.014
3.503
3.113
2.818
2.994
3.467
3.094
3.420
2.934
3.345
2.935
2.692
3.407
3.329
3.261
3.153
3.333
2.623
3.255
3.205
3.082
2.750
2.869
3.121
2.641
3.088
2.864
3.011

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814
0.759

0.966
0.943
0.966
0.916
0.946
0.921
0.957
0.877
0.940
0.922
0.948
0.905
0.852
0.918
0.899
0.824
0.948
0.874
0.925
0.939
0.928
0.843
0.904
0.825
0.880
0.820
0.912
0.934
0.787
0.783
0.809
0.832
0.747
0.909
0.741
0.774
0.798
0.867
0.843
0.722
0.869
0.742
0.817
0.761

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661
0.571

0.774
0.745
0.779
0.783
0.755
0.745
0.827
0.707
0.796
0.771
0.829
0.741
0.685
0.769
0.741
0.676
0.835
0.706
0.808
0.840
0.814
0.670
0.779
0.658
0.728
0.651
0.792
0.822
0.631
0.624
0.648
0.678
0.645
0.803
0.633
0.612
0.639
0.749
0.708
0.628
0.758
0.587
0.676
0.606

B-23

APPENDIX B

: tables of K-values

Table (B-32) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.347
2.236
2.299
2.170
2.195
2.273
2.288
2.176
2.120
2.097
2.135
2.143
2.049
2.100
2.079
2.005
2.006
1.978
1.910
1.973
1.943
1.950
1.897
1.857
1.847
1.845
1.817
1.808
1.812
1.803
1.749
1.737
1.724
1.727
1.719
1.703
1.683
1.679
1.615
1.596
1.599
1.596
1.583
1.582

0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.667
0.744
0.613
0.761
0.711
0.676
0.628
0.703
0.738
0.738
0.603
0.645
0.734
0.630
0.666
0.706
0.619
0.635
0.722
0.595
0.657
0.636
0.679
0.702
0.705
0.565
0.705
0.611
0.633
0.615
0.669
0.676
0.579
0.686
0.639
0.646
0.601
0.583
0.659
0.667
0.675
0.685
0.598
0.613

0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.520
0.592
0.545
0.625
0.560
0.526
0.498
0.543
0.574
0.594
0.505
0.497
0.600
0.480
0.519
0.546
0.479
0.484
0.574
0.467
0.494
0.478
0.512
0.531
0.545
0.490
0.537
0.464
0.472
0.459
0.499
0.502
0.467
0.518
0.470
0.467
0.447
0.456
0.479
0.482
0.498
0.503
0.448
0.449

B-24

APPENDIX B

: tables of K-values

Table (B-33) K-values of ternary system MTBE (1) +Ethanol (2) +Methyl-2propanol (3) by using SRK-EOS for vapor phase and NRTL model for liquid phase
at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal..

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.041
4.225
3.959
4.058
3.991
3.988
3.274
3.720
3.305
3.315
3.062
3.395
3.569
3.265
3.337
3.582
2.928
3.403
3.023
2.737
2.908
3.367
3.005
3.322
2.849
3.249
2.851
2.615
3.309
3.234
3.167
3.062
3.237
2.548
3.162
3.113
2.994
2.671
2.787
3.032
2.566
3.000
2.782

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.961
0.938
0.961
0.911
0.941
0.917
0.952
0.873
0.935
0.918
0.944
0.900
0.847
0.913
0.894
0.819
0.943
0.870
0.921
0.934
0.924
0.838
0.899
0.821
0.875
0.815
0.908
0.929
0.783
0.779
0.805
0.828
0.743
0.904
0.737
0.770
0.794
0.862
0.838
0.718
0.864
0.739
0.813

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.795
0.778
0.795
0.864
0.777
0.780
0.834
0.729
0.804
0.780
0.834
0.753
0.717
0.778
0.753
0.729
0.839
0.721
0.814
0.844
0.819
0.691
0.787
0.683
0.742
0.676
0.798
0.826
0.668
0.661
0.666
0.691
0.719
0.809
0.705
0.635
0.656
0.756
0.717
0.705
0.765
0.620
0.688

B-25

APPENDIX B

: tables of K-values

Table (B-33) continued.


T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.925
2.280
2.172
2.233
2.108
2.132
2.208
2.222
2.113
2.059
2.037
2.074
2.081
1.990
2.040
2.020
1.947
1.948
1.921
1.855
1.916
1.888
1.894
1.842
1.804
1.794
1.792
1.765
1.756
1.760
1.751
1.699
1.687
1.675
1.677
1.670
1.654
1.635
1.631
1.569
1.550
1.553
1.551
1.538
1.536

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.757
0.663
0.740
0.610
0.757
0.707
0.672
0.625
0.699
0.734
0.734
0.600
0.642
0.730
0.627
0.662
0.702
0.616
0.632
0.719
0.592
0.654
0.633
0.676
0.699
0.701
0.562
0.701
0.608
0.630
0.612
0.665
0.672
0.576
0.683
0.636
0.642
0.598
0.580
0.656
0.663
0.672
0.682
0.595
0.610

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.627
0.550
0.606
0.634
0.637
0.581
0.548
0.540
0.561
0.588
0.607
0.573
0.525
0.613
0.513
0.540
0.562
0.517
0.513
0.588
0.515
0.517
0.505
0.531
0.548
0.561
0.581
0.554
0.507
0.502
0.494
0.521
0.523
0.535
0.537
0.499
0.495
0.490
0.507
0.506
0.509
0.522
0.526
0.496
0.491

B-26

APPENDIX B

: tables of K-values

Table (B-34) K-values of ternary system MTBE(1)+Ethanol(2)+2-Mehyl-2propanol(3) by using SRK-EOS for vapor phase and UNIQUAC model for liquid
phase at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal..

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.062
4.247
3.979
4.079
4.011
4.009
3.291
3.739
3.322
3.332
3.078
3.413
3.587
3.281
3.354
3.601
2.943
3.421
3.039
2.751
2.923
3.385
3.020
3.339
2.864
3.266
2.866
2.628
3.326
3.250
3.183
3.078
3.254
2.561
3.178
3.129
3.009
2.685
2.801
3.048
2.579
3.015
2.796

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.966
0.943
0.966
0.916
0.946
0.921
0.957
0.877
0.940
0.922
0.948
0.905
0.852
0.918
0.899
0.824
0.948
0.874
0.925
0.939
0.928
0.843
0.904
0.825
0.880
0.820
0.912
0.934
0.787
0.783
0.809
0.832
0.747
0.909
0.741
0.774
0.798
0.867
0.843
0.722
0.869
0.742
0.817

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.778
0.752
0.783
0.801
0.761
0.754
0.831
0.717
0.800
0.776
0.832
0.747
0.699
0.774
0.747
0.699
0.838
0.714
0.812
0.844
0.818
0.681
0.784
0.671
0.736
0.665
0.796
0.825
0.651
0.644
0.659
0.686
0.684
0.808
0.672
0.626
0.650
0.755
0.715
0.671
0.764
0.608
0.684

B-27

APPENDIX B

: tables of K-values

Table (B-34) continued.


T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.940
2.291
2.183
2.244
2.119
2.143
2.220
2.233
2.124
2.070
2.048
2.085
2.092
2.000
2.051
2.030
1.957
1.958
1.931
1.865
1.926
1.897
1.904
1.852
1.813
1.803
1.802
1.774
1.765
1.769
1.760
1.708
1.696
1.684
1.686
1.678
1.663
1.643
1.639
1.577
1.558
1.561
1.559
1.546
1.544

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.761
0.667
0.744
0.613
0.761
0.711
0.676
0.628
0.703
0.738
0.738
0.603
0.645
0.734
0.630
0.666
0.706
0.619
0.635
0.722
0.595
0.657
0.636
0.679
0.702
0.705
0.565
0.705
0.611
0.633
0.615
0.669
0.676
0.579
0.686
0.639
0.646
0.601
0.583
0.659
0.667
0.675
0.685
0.598
0.613

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.620
0.543
0.604
0.606
0.635
0.576
0.543
0.529
0.557
0.586
0.605
0.554
0.519
0.611
0.506
0.536
0.560
0.509
0.508
0.586
0.504
0.513
0.500
0.528
0.546
0.559
0.558
0.552
0.498
0.496
0.487
0.517
0.520
0.520
0.534
0.494
0.491
0.482
0.497
0.502
0.505
0.518
0.523
0.488
0.484

B-28

APPENDIX B

: tables of K-values

Table (B-35) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using SRK-EOS for vapor phase and UNIFAC model for liquid
phase at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.7
343.59
344.82
345.54
348.31
347.31
342.82
348.4
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.079
4.265
3.996
4.096
4.028
4.025
3.304
3.755
3.336
3.346
3.091
3.427
3.602
3.295
3.368
3.616
2.955
3.435
3.052
2.763
2.935
3.399
3.033
3.353
2.876
3.279
2.877
2.639
3.340
3.264
3.197
3.091
3.268
2.571
3.191
3.142
3.022
2.696
2.813
3.060
2.590
3.028
2.808

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.967
0.944
0.967
0.917
0.947
0.922
0.958
0.878
0.941
0.923
0.949
0.906
0.853
0.919
0.900
0.824
0.949
0.875
0.926
0.940
0.929
0.844
0.905
0.826
0.881
0.820
0.913
0.935
0.788
0.784
0.810
0.833
0.748
0.910
0.741
0.775
0.799
0.868
0.844
0.723
0.869
0.743
0.818

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.775
0.747
0.781
0.789
0.758
0.749
0.830
0.714
0.799
0.774
0.832
0.746
0.695
0.773
0.746
0.692
0.838
0.712
0.811
0.843
0.818
0.679
0.783
0.668
0.734
0.662
0.796
0.825
0.646
0.640
0.657
0.685
0.676
0.807
0.663
0.624
0.648
0.754
0.714
0.662
0.763
0.604
0.683

B-29

APPENDIX B

: tables of K-values

Table (B-35) continued.


T/K
345.22
340.01
342.46
337.8
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.9
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336
337.52
337.53
334.34
337.97
336.06
336.1
334.77
334.4
335.89
335.77
336.37
336.56
333.9
334.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.952
2.301
2.192
2.254
2.127
2.152
2.229
2.243
2.133
2.078
2.056
2.094
2.101
2.008
2.059
2.039
1.965
1.966
1.939
1.873
1.934
1.905
1.911
1.860
1.821
1.810
1.809
1.781
1.772
1.777
1.767
1.715
1.703
1.691
1.693
1.685
1.670
1.650
1.646
1.583
1.565
1.568
1.565
1.552
1.551

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.762
0.667
0.744
0.614
0.761
0.711
0.676
0.629
0.704
0.739
0.738
0.604
0.646
0.734
0.631
0.666
0.706
0.620
0.636
0.723
0.595
0.658
0.637
0.680
0.703
0.705
0.565
0.705
0.611
0.634
0.615
0.669
0.676
0.580
0.687
0.640
0.646
0.602
0.584
0.660
0.667
0.676
0.686
0.599
0.614

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.618
0.540
0.602
0.596
0.634
0.574
0.541
0.525
0.556
0.585
0.604
0.547
0.516
0.610
0.503
0.534
0.558
0.505
0.505
0.585
0.499
0.510
0.498
0.526
0.544
0.558
0.549
0.550
0.494
0.494
0.484
0.515
0.518
0.513
0.533
0.492
0.488
0.478
0.492
0.500
0.502
0.516
0.521
0.483
0.480

B-30

APPENDIX B

: tables of K-values

Table (B-36) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for vapor phase and NRTL model for liquid phase at
101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.3
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.079
4.265
3.996
4.096
4.028
4.025
3.304
3.755
3.336
3.346
3.091
3.427
3.602
3.295
3.368
3.616
2.955
3.435
3.052
2.763
2.935
3.399
3.033
3.353
2.876
3.279
2.877
2.639
3.340
3.264
3.197
3.091
3.268
2.571
3.191
3.142
3.022
2.696
2.813
3.060
2.590
3.028
2.808

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.967
0.944
0.967
0.917
0.947
0.922
0.958
0.878
0.941
0.923
0.949
0.905
0.853
0.919
0.900
0.824
0.949
0.875
0.926
0.940
0.929
0.843
0.905
0.826
0.881
0.820
0.913
0.935
0.788
0.784
0.810
0.833
0.748
0.910
0.741
0.775
0.799
0.867
0.844
0.723
0.869
0.743
0.818

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.763
0.727
0.772
0.752
0.745
0.729
0.827
0.701
0.795
0.769
0.829
0.739
0.676
0.768
0.740
0.662
0.835
0.703
0.808
0.841
0.815
0.666
0.780
0.653
0.727
0.647
0.793
0.823
0.624
0.618
0.646
0.677
0.638
0.805
0.625
0.609
0.638
0.751
0.709
0.623
0.760
0.584
0.677

B-31

APPENDIX B

: tables of K-values

Table (B-36) continued.


T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

K1 lit.

K1cal.

K2 lit

K2cal..

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.952
2.301
2.192
2.254
2.127
2.152
2.229
2.243
2.133
2.078
2.056
2.094
2.101
2.008
2.059
2.039
1.966
1.966
1.939
1.873
1.934
1.905
1.911
1.860
1.821
1.810
1.809
1.781
1.772
1.777
1.767
1.715
1.703
1.691
1.693
1.685
1.670
1.650
1.646
1.583
1.565
1.568
1.565
1.552
1.551

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.762
0.667
0.744
0.614
0.761
0.711
0.676
0.629
0.704
0.738
0.738
0.604
0.646
0.734
0.631
0.666
0.706
0.620
0.636
0.723
0.595
0.658
0.637
0.680
0.703
0.705
0.565
0.705
0.611
0.634
0.615
0.669
0.676
0.580
0.687
0.640
0.646
0.602
0.584
0.660
0.667
0.676
0.686
0.599
0.614

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.604
0.522
0.595
0.553
0.628
0.563
0.529
0.500
0.546
0.577
0.597
0.512
0.500
0.604
0.483
0.522
0.550
0.483
0.488
0.578
0.472
0.498
0.482
0.516
0.535
0.550
0.505
0.542
0.470
0.477
0.465
0.504
0.507
0.479
0.523
0.476
0.473
0.455
0.466
0.486
0.489
0.505
0.510
0.458
0.458

B-32

APPENDIX B

: tables of K-values

Table (B-37) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for vapor phase and UNIQUAC model for liquid
phase at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.096
4.282
4.012
4.113
4.045
4.042
3.318
3.770
3.349
3.360
3.103
3.441
3.617
3.309
3.382
3.631
2.968
3.449
3.064
2.774
2.947
3.413
3.046
3.367
2.888
3.293
2.889
2.650
3.354
3.277
3.210
3.104
3.281
2.582
3.205
3.155
3.034
2.708
2.825
3.073
2.600
3.040
2.819

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.973
0.951
0.974
0.924
0.954
0.929
0.965
0.884
0.948
0.930
0.956
0.912
0.859
0.925
0.906
0.830
0.956
0.881
0.933
0.946
0.936
0.850
0.911
0.832
0.887
0.826
0.920
0.942
0.794
0.790
0.816
0.839
0.753
0.917
0.747
0.780
0.805
0.874
0.850
0.728
0.876
0.749
0.824

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.741
0.693
0.756
0.675
0.725
0.695
0.823
0.684
0.791
0.764
0.827
0.731
0.653
0.763
0.733
0.626
0.834
0.693
0.805
0.840
0.814
0.654
0.777
0.638
0.718
0.633
0.791
0.822
0.602
0.597
0.638
0.671
0.596
0.804
0.585
0.598
0.631
0.749
0.706
0.583
0.759
0.568
0.673

B-33

APPENDIX B

: tables of K-values

Table (B-37) continued.


T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.964
2.311
2.201
2.263
2.136
2.161
2.238
2.252
2.142
2.087
2.065
2.102
2.109
2.017
2.068
2.047
1.974
1.974
1.947
1.880
1.942
1.913
1.919
1.867
1.828
1.818
1.817
1.789
1.780
1.784
1.775
1.722
1.710
1.698
1.700
1.692
1.677
1.657
1.653
1.590
1.571
1.574
1.572
1.558
1.557

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.767
0.672
0.750
0.618
0.767
0.716
0.681
0.633
0.709
0.744
0.744
0.608
0.651
0.740
0.635
0.671
0.711
0.624
0.641
0.728
0.600
0.663
0.641
0.685
0.708
0.710
0.569
0.710
0.616
0.638
0.620
0.674
0.681
0.584
0.692
0.644
0.651
0.606
0.588
0.665
0.672
0.681
0.691
0.603
0.618

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.595
0.513
0.593
0.522
0.627
0.557
0.523
0.488
0.542
0.575
0.596
0.492
0.493
0.602
0.475
0.518
0.547
0.474
0.482
0.576
0.460
0.493
0.477
0.513
0.533
0.548
0.482
0.540
0.461
0.472
0.458
0.501
0.505
0.463
0.521
0.471
0.469
0.447
0.456
0.482
0.485
0.502
0.507
0.449
0.451

B-34

APPENDIX B

: tables of K-values

Table (B-38) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PR-EOS for vapor phase and UNIFAC model for liquid phase
at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.104
4.291
4.021
4.121
4.053
4.050
3.325
3.778
3.356
3.367
3.110
3.449
3.625
3.316
3.389
3.638
2.974
3.456
3.071
2.780
2.953
3.420
3.052
3.374
2.894
3.300
2.895
2.656
3.361
3.284
3.217
3.110
3.288
2.587
3.211
3.162
3.041
2.713
2.831
3.079
2.606
3.046
2.825

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.972
0.950
0.973
0.923
0.953
0.928
0.964
0.883
0.947
0.929
0.955
0.911
0.858
0.924
0.905
0.830
0.955
0.880
0.932
0.946
0.935
0.849
0.911
0.831
0.886
0.825
0.919
0.941
0.793
0.789
0.815
0.838
0.752
0.916
0.746
0.780
0.804
0.873
0.849
0.727
0.875
0.748
0.823

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.744
0.698
0.758
0.684
0.727
0.699
0.823
0.686
0.791
0.764
0.827
0.732
0.655
0.763
0.734
0.630
0.834
0.694
0.805
0.840
0.814
0.655
0.777
0.640
0.719
0.634
0.791
0.822
0.604
0.599
0.638
0.671
0.600
0.803
0.588
0.599
0.632
0.749
0.706
0.587
0.759
0.570
0.673

B-35

APPENDIX B

: tables of K-values

Table (B-38) continued.


T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.971
2.315
2.206
2.268
2.141
2.165
2.243
2.257
2.146
2.091
2.069
2.107
2.114
2.021
2.072
2.051
1.978
1.978
1.951
1.884
1.946
1.917
1.923
1.871
1.832
1.822
1.820
1.792
1.783
1.788
1.778
1.726
1.714
1.701
1.703
1.696
1.680
1.660
1.656
1.593
1.574
1.577
1.575
1.562
1.560

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.766
0.672
0.749
0.617
0.766
0.716
0.680
0.633
0.708
0.743
0.743
0.608
0.650
0.739
0.635
0.670
0.711
0.623
0.640
0.727
0.599
0.662
0.641
0.684
0.707
0.710
0.569
0.710
0.615
0.638
0.619
0.674
0.680
0.583
0.691
0.644
0.650
0.606
0.587
0.664
0.672
0.680
0.690
0.603
0.618

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.596
0.513
0.592
0.523
0.626
0.557
0.523
0.488
0.542
0.575
0.595
0.492
0.493
0.602
0.475
0.518
0.547
0.474
0.481
0.575
0.460
0.493
0.476
0.513
0.532
0.547
0.481
0.540
0.460
0.471
0.458
0.501
0.504
0.462
0.520
0.470
0.468
0.446
0.455
0.481
0.484
0.501
0.506
0.448
0.450

B-36

APPENDIX B

: tables of K-values

Table (B-39) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PRSV-EOS with WS mixing rule based on GE from NRTL
model at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.096
4.282
4.012
4.113
4.045
4.042
3.318
3.770
3.349
3.359
3.103
3.441
3.617
3.309
3.382
3.631
2.967
3.449
3.064
2.774
2.947
3.413
3.045
3.367
2.888
3.293
2.889
2.650
3.354
3.277
3.210
3.104
3.281
2.582
3.204
3.155
3.034
2.707
2.825
3.073
2.600
3.040
2.819

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.764
0.726
0.772
0.760
0.745
0.727
0.825
0.695
0.793
0.767
0.827
0.735
0.666
0.765
0.736
0.646
0.833
0.697
0.805
0.839
0.812
0.658
0.777
0.643
0.722
0.636
0.789
0.820
0.607
0.600
0.637
0.670
0.606
0.801
0.592
0.596
0.629
0.746
0.704
0.587
0.756
0.565
0.670

B-37

APPENDIX B

: tables of K-values

Table (B-39) continued.


T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.964
2.310
2.201
2.263
2.136
2.160
2.238
2.252
2.142
2.087
2.065
2.102
2.109
2.017
2.068
2.047
1.974
1.974
1.947
1.880
1.942
1.913
1.919
1.867
1.828
1.818
1.816
1.789
1.780
1.784
1.774
1.722
1.710
1.697
1.700
1.692
1.677
1.657
1.653
1.590
1.571
1.574
1.572
1.558
1.557

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.592
0.501
0.586
0.499
0.620
0.549
0.513
0.471
0.533
0.567
0.588
0.467
0.480
0.595
0.459
0.507
0.538
0.456
0.466
0.568
0.437
0.481
0.462
0.502
0.522
0.538
0.444
0.530
0.439
0.456
0.440
0.489
0.492
0.431
0.510
0.455
0.453
0.424
0.430
0.467
0.470
0.488
0.494
0.424
0.428

B-38

APPENDIX B

: tables of K-values

Table (B-40) K-values of ternary system MTBE(1)+Ethanol(2)+2-Methyl-2propanol(3) by using PRSV-EOS with WS mixing rule based on GE from
UNIQUAC model at 101.3KPa.
T/K
350.54
349.85
350.64
349.11
350.00
349.26
351.04
348.13
350.32
349.69
350.92
348.96
347.21
349.54
348.96
346.32
351.01
347.97
350.29
350.91
350.43
346.91
349.51
346.34
348.16
346.14
349.74
350.30
345.15
344.95
346.04
346.75
343.85
349.70
343.59
344.82
345.54
348.31
347.31
342.82
348.40
343.56
346.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

4.083
4.269
4.000
4.100
4.032
4.029
3.308
3.759
3.339
3.349
3.094
3.431
3.606
3.299
3.371
3.620
2.958
3.438
3.055
2.765
2.938
3.402
3.036
3.356
2.879
3.283
2.880
2.642
3.344
3.267
3.200
3.094
3.271
2.574
3.195
3.145
3.025
2.699
2.816
3.063
2.592
3.031
2.811

4.121
4.309
4.037
4.138
4.070
4.067
3.338
3.793
3.370
3.380
3.122
3.463
3.639
3.329
3.403
3.653
2.986
3.470
3.083
2.791
2.965
3.434
3.064
3.387
2.906
3.313
2.907
2.667
3.375
3.298
3.230
3.123
3.301
2.598
3.224
3.174
3.053
2.724
2.842
3.092
2.616
3.059
2.837

0.963
0.940
0.963
0.913
0.943
0.918
0.954
0.874
0.937
0.919
0.946
0.902
0.849
0.915
0.896
0.821
0.945
0.871
0.923
0.936
0.925
0.840
0.901
0.822
0.877
0.817
0.910
0.931
0.785
0.781
0.807
0.830
0.745
0.906
0.738
0.772
0.795
0.864
0.840
0.720
0.866
0.740
0.814

0.966
0.943
0.966
0.916
0.946
0.921
0.957
0.877
0.940
0.922
0.948
0.905
0.852
0.918
0.899
0.824
0.948
0.874
0.925
0.939
0.928
0.843
0.904
0.825
0.880
0.820
0.912
0.934
0.787
0.783
0.809
0.832
0.747
0.909
0.741
0.774
0.798
0.867
0.843
0.722
0.869
0.742
0.817

0.747
0.694
0.759
0.676
0.726
0.694
0.821
0.675
0.787
0.759
0.823
0.725
0.634
0.758
0.727
0.588
0.830
0.684
0.801
0.836
0.809
0.639
0.771
0.619
0.711
0.612
0.785
0.817
0.567
0.562
0.621
0.658
0.522
0.798
0.507
0.573
0.614
0.741
0.696
0.500
0.751
0.530
0.661

0.759
0.720
0.768
0.737
0.740
0.720
0.824
0.692
0.792
0.765
0.826
0.734
0.663
0.764
0.735
0.640
0.833
0.696
0.805
0.839
0.812
0.656
0.776
0.641
0.720
0.635
0.789
0.820
0.605
0.599
0.637
0.670
0.601
0.801
0.587
0.596
0.629
0.746
0.703
0.583
0.756
0.565
0.670

B-39

APPENDIX B

: tables of K-values

Table (B-40) continued.


T/K
345.22
340.01
342.46
337.80
343.37
341.21
340.16
338.52
340.78
341.67
342.11
337.15
338.65
342.08
337.90
339.32
340.24
337.09
337.64
340.71
336.34
338.14
338.64
338.71
339.12
339.49
334.73
339.17
335.86
336.56
336.00
337.52
337.53
334.34
337.97
336.06
336.10
334.77
334.40
335.89
335.77
336.37
336.56
333.90
334.24

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.955
2.303
2.194
2.256
2.130
2.154
2.231
2.245
2.135
2.081
2.058
2.096
2.103
2.011
2.061
2.041
1.968
1.968
1.941
1.875
1.936
1.907
1.913
1.862
1.823
1.812
1.811
1.783
1.774
1.779
1.769
1.717
1.705
1.692
1.695
1.687
1.671
1.652
1.648
1.585
1.566
1.569
1.567
1.554
1.552

2.983
2.325
2.215
2.277
2.149
2.174
2.252
2.266
2.155
2.100
2.077
2.115
2.122
2.029
2.080
2.060
1.986
1.986
1.959
1.892
1.954
1.925
1.931
1.879
1.839
1.829
1.828
1.800
1.791
1.795
1.785
1.733
1.720
1.708
1.710
1.703
1.687
1.667
1.663
1.600
1.581
1.584
1.581
1.568
1.567

0.759
0.665
0.741
0.611
0.758
0.708
0.673
0.626
0.701
0.735
0.735
0.601
0.643
0.731
0.628
0.663
0.703
0.617
0.633
0.720
0.593
0.655
0.634
0.677
0.700
0.702
0.563
0.702
0.609
0.631
0.613
0.667
0.673
0.577
0.684
0.637
0.644
0.599
0.581
0.657
0.665
0.673
0.683
0.596
0.611

0.761
0.667
0.744
0.613
0.761
0.710
0.676
0.628
0.703
0.738
0.738
0.603
0.645
0.734
0.630
0.666
0.706
0.619
0.635
0.722
0.595
0.657
0.636
0.679
0.702
0.705
0.565
0.705
0.611
0.633
0.615
0.669
0.676
0.579
0.686
0.639
0.646
0.601
0.583
0.659
0.667
0.675
0.685
0.598
0.613

0.571
0.472
0.575
0.400
0.612
0.531
0.493
0.428
0.518
0.556
0.579
0.396
0.453
0.586
0.427
0.488
0.525
0.419
0.439
0.557
0.388
0.460
0.437
0.486
0.509
0.526
0.349
0.517
0.398
0.430
0.408
0.472
0.476
0.365
0.495
0.430
0.429
0.385
0.383
0.445
0.449
0.471
0.478
0.381
0.392

0.592
0.502
0.586
0.498
0.620
0.549
0.514
0.472
0.534
0.567
0.589
0.468
0.481
0.595
0.461
0.508
0.539
0.457
0.468
0.568
0.439
0.481
0.463
0.502
0.523
0.538
0.445
0.530
0.440
0.457
0.441
0.489
0.493
0.433
0.510
0.456
0.453
0.426
0.431
0.467
0.470
0.489
0.495
0.425
0.430

B-40

APPENDIX B

: tables of K-values

B.2.2 ternary system ()

[Ethanol (1) +2-methyl-2-propanol (2) +Octane (3)]


Table (B-41) K-values of ternary system Ethanol(1)+2-Methyl-2-propanol(2)
Octane(3) by using SRK-EOS for two phases at 101.3KPa.
T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58
356.08

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396
1.769

1.468
1.520
1.583
1.668
1.710
1.451
2.891
1.272
3.112
1.499
1.281
1.157
3.048
2.004
1.404
1.668
1.184
1.913
3.536
1.685
3.389
1.386
1.297
1.547
2.192
2.210
1.467
1.154
3.926
1.931
1.793
1.642
1.444
2.173
1.512
2.505
2.392
1.938
2.919
1.688
2.601
1.754
1.424
1.804

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044
1.180

1.070
1.086
1.102
1.178
1.211
1.098
1.660
1.036
1.763
1.122
1.040
1.010
1.765
1.317
1.081
1.213
1.009
1.281
1.929
1.180
1.878
1.072
1.046
1.140
1.367
1.400
1.095
1.011
2.018
1.312
1.219
1.163
1.086
1.392
1.113
1.484
1.497
1.261
1.621
1.172
1.488
1.182
1.062
1.200

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606
0.458

0.592
0.556
0.527
0.556
0.532
0.627
0.414
0.733
0.398
0.591
0.719
0.810
0.403
0.485
0.645
0.543
0.801
0.493
0.368
0.547
0.389
0.655
0.703
0.577
0.464
0.456
0.618
0.803
0.368
0.482
0.516
0.551
0.625
0.448
0.593
0.427
0.430
0.488
0.395
0.532
0.407
0.517
0.637
0.499

B-41

APPENDIX B

: tables of K-values

Table (B-41) continued.


T/K
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

2.656
1.418
1.783
1.225
1.275
1.787
2.008
2.574
1.456
1.735
1.290
1.894
2.324
2.122
1.362
1.793
1.292
1.424
1.544
1.186
1.381
1.152
1.442
1.833
1.188
1.578
1.382
1.218
1.151
1.151
1.378
1.458
1.681
1.188
1.102
1.247
1.601
1.218
1.143
1.143
1.549
1.387
1.189
1.101

1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.315
1.007
1.103
0.964
0.968
1.091
1.145
1.248
0.998
1.042
0.955
1.094
1.175
1.102
0.950
1.017
0.939
0.955
0.976
0.924
0.931
0.914
0.931
0.969
0.903
0.936
0.908
0.895
0.893
0.896
0.893
0.894
0.915
0.879
0.914
0.868
0.884
0.865
0.873
0.872
0.868
0.853
0.849
0.890

0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.353
0.632
0.483
0.788
0.738
0.477
0.424
0.347
0.602
0.483
0.717
0.439
0.360
0.378
0.651
0.447
0.702
0.600
0.527
0.828
0.621
0.883
0.570
0.406
0.820
0.489
0.598
0.769
0.888
0.877
0.598
0.537
0.430
0.804
0.936
0.717
0.447
0.752
0.888
0.890
0.462
0.560
0.786
0.966

B-42

APPENDIX B

: tables of K-values

Table (B-42) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for two phases at 101.3KPa.

T/K
356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.435
1.485
1.547
1.630
1.671
1.418
2.825
1.243
3.041
1.465
1.252
1.131
2.979
1.958
1.372
1.630
1.157
1.869
3.455
1.647
3.312
1.354
1.268
1.511
2.142
2.160
1.433
1.128
3.837
1.887
1.752
1.605
1.411
2.123
1.477
2.448
2.338
1.893
2.853
1.649
2.542
1.714
1.392

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.062
1.078
1.094
1.169
1.202
1.090
1.647
1.028
1.749
1.113
1.033
1.002
1.752
1.307
1.073
1.204
1.001
1.271
1.914
1.171
1.864
1.064
1.039
1.131
1.357
1.389
1.087
1.003
2.003
1.303
1.210
1.155
1.078
1.382
1.105
1.473
1.486
1.251
1.609
1.164
1.477
1.173
1.054

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.595
0.556
0.525
0.555
0.530
0.632
0.410
0.754
0.394
0.593
0.737
0.864
0.399
0.483
0.652
0.542
0.852
0.491
0.365
0.547
0.386
0.663
0.719
0.579
0.461
0.453
0.623
0.852
0.366
0.480
0.516
0.552
0.632
0.446
0.597
0.425
0.427
0.487
0.393
0.533
0.405
0.518
0.647

B-43

APPENDIX B

: tables of K-values

Table (B-42) continued.


T/K
356.08
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.763
2.595
1.386
1.743
1.197
1.246
1.746
1.962
2.515
1.423
1.696
1.260
1.851
2.271
2.073
1.331
1.752
1.262
1.391
1.509
1.159
1.349
1.125
1.409
1.791
1.161
1.542
1.351
1.190
1.125
1.125
1.346
1.424
1.643
1.161
1.077
1.219
1.564
1.190
1.117
1.117
1.513
1.355
1.161
1.076

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.192
1.305
0.999
1.095
0.957
0.961
1.083
1.137
1.239
0.991
1.034
0.948
1.086
1.166
1.094
0.943
1.009
0.932
0.948
0.969
0.917
0.924
0.907
0.924
0.961
0.896
0.929
0.901
0.889
0.886
0.890
0.887
0.888
0.908
0.872
0.908
0.861
0.878
0.858
0.867
0.866
0.861
0.847
0.842
0.883

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.500
0.355
0.647
0.488
0.831
0.770
0.481
0.427
0.348
0.615
0.488
0.747
0.443
0.362
0.382
0.672
0.453
0.731
0.616
0.537
0.887
0.640
0.969
0.585
0.412
0.877
0.499
0.616
0.814
0.975
0.961
0.617
0.551
0.437
0.859
1.101
0.753
0.456
0.796
0.974
0.974
0.472
0.577
0.839
1.140

B-44

APPENDIX B

: tables of K-values

Table (B-43) K-values of ternary system


Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using SRK-EOS for vapor phase and NRTL model for
liquid phase at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.411
1.461
1.522
1.603
1.643
1.395
2.778
1.222
2.991
1.441
1.232
1.112
2.930
1.926
1.350
1.603
1.138
1.839
3.399
1.620
3.258
1.332
1.247
1.487
2.107
2.125
1.410
1.109
3.774
1.856
1.723
1.578
1.388
2.088
1.453
2.408
2.299
1.862
2.806
1.622
2.500
1.686
1.369

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.059
1.075
1.091
1.167
1.199
1.087
1.644
1.026
1.746
1.111
1.030
1.000
1.748
1.304
1.071
1.201
0.999
1.269
1.910
1.169
1.860
1.062
1.037
1.129
1.354
1.386
1.084
1.001
1.999
1.300
1.208
1.152
1.076
1.379
1.102
1.470
1.482
1.249
1.605
1.161
1.474
1.171
1.052

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.602
0.562
0.530
0.558
0.533
0.638
0.411
0.766
0.396
0.599
0.750
0.894
0.401
0.485
0.660
0.546
0.880
0.494
0.367
0.551
0.388
0.672
0.730
0.584
0.463
0.456
0.630
0.881
0.368
0.483
0.519
0.557
0.639
0.448
0.604
0.427
0.430
0.490
0.396
0.539
0.408
0.523
0.657

B-45

APPENDIX B

: tables of K-values

Table (B-43) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.734
2.552
1.363
1.714
1.177
1.226
1.718
1.930
2.474
1.399
1.668
1.240
1.821
2.233
2.039
1.309
1.724
1.241
1.368
1.484
1.140
1.327
1.107
1.386
1.762
1.142
1.517
1.328
1.170
1.106
1.106
1.324
1.401
1.616
1.142
1.059
1.199
1.539
1.171
1.099
1.098
1.489
1.333
1.142
1.058

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.189
1.302
0.997
1.093
0.955
0.959
1.080
1.134
1.236
0.989
1.032
0.946
1.083
1.163
1.091
0.941
1.007
0.930
0.946
0.967
0.915
0.922
0.906
0.922
0.959
0.894
0.927
0.899
0.887
0.884
0.888
0.885
0.886
0.907
0.870
0.906
0.859
0.876
0.856
0.865
0.864
0.860
0.845
0.840
0.881

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.505
0.360
0.661
0.495
0.862
0.794
0.489
0.434
0.354
0.629
0.497
0.771
0.451
0.368
0.388
0.691
0.461
0.755
0.632
0.549
0.931
0.659
1.031
0.600
0.420
0.921
0.511
0.634
0.850
1.039
1.023
0.636
0.566
0.448
0.902
1.233
0.783
0.467
0.831
1.039
1.039
0.484
0.595
0.881
1.282

B-46

APPENDIX B

: tables of K-values

Table (B-44) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using SRK-EOS for vapor phase and UNIQUAC model
for liquid phase at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.430
1.481
1.542
1.625
1.666
1.414
2.816
1.239
3.032
1.460
1.248
1.127
2.969
1.952
1.368
1.625
1.154
1.863
3.444
1.641
3.302
1.350
1.264
1.507
2.136
2.153
1.429
1.124
3.825
1.881
1.746
1.600
1.406
2.116
1.473
2.440
2.330
1.887
2.844
1.644
2.534
1.708
1.387

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.067
1.083
1.099
1.175
1.208
1.095
1.656
1.034
1.759
1.119
1.038
1.008
1.761
1.314
1.078
1.210
1.006
1.278
1.924
1.177
1.874
1.070
1.044
1.137
1.364
1.397
1.092
1.009
2.014
1.309
1.216
1.161
1.084
1.389
1.110
1.481
1.493
1.258
1.617
1.170
1.485
1.179
1.060

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.579
0.543
0.515
0.549
0.526
0.622
0.409
0.735
0.394
0.586
0.721
0.826
0.399
0.480
0.642
0.538
0.817
0.488
0.365
0.543
0.386
0.653
0.705
0.573
0.459
0.452
0.616
0.820
0.366
0.478
0.512
0.547
0.624
0.444
0.591
0.424
0.426
0.485
0.394
0.530
0.406
0.516
0.640

B-47

APPENDIX B

: tables of K-values

Table (B-44) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.758
2.587
1.381
1.737
1.193
1.242
1.741
1.956
2.507
1.418
1.690
1.256
1.845
2.263
2.067
1.327
1.747
1.258
1.387
1.504
1.155
1.345
1.122
1.405
1.786
1.157
1.537
1.346
1.186
1.121
1.121
1.342
1.420
1.637
1.157
1.074
1.215
1.560
1.187
1.113
1.113
1.509
1.351
1.158
1.073

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.198
1.312
1.004
1.101
0.962
0.966
1.088
1.143
1.245
0.996
1.039
0.953
1.091
1.172
1.099
0.948
1.015
0.937
0.953
0.974
0.922
0.929
0.912
0.929
0.966
0.901
0.934
0.906
0.893
0.891
0.894
0.891
0.892
0.913
0.877
0.912
0.866
0.882
0.863
0.871
0.870
0.866
0.851
0.847
0.888

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.499
0.357
0.644
0.489
0.822
0.764
0.483
0.429
0.351
0.614
0.490
0.743
0.446
0.365
0.385
0.671
0.456
0.730
0.617
0.540
0.881
0.642
0.961
0.587
0.416
0.874
0.503
0.619
0.814
0.969
0.956
0.620
0.555
0.442
0.859
1.088
0.755
0.460
0.798
0.972
0.973
0.477
0.581
0.841
1.132

B-48

APPENDIX B

: tables of K-values

Table (B-45) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using SRK-EOS for vapor phase and UNIFAC model
for liquid phase at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.435
1.485
1.547
1.630
1.671
1.418
2.824
1.243
3.041
1.465
1.252
1.131
2.978
1.958
1.372
1.630
1.157
1.869
3.455
1.647
3.312
1.354
1.268
1.511
2.142
2.160
1.433
1.128
3.836
1.887
1.752
1.604
1.411
2.123
1.477
2.448
2.338
1.893
2.853
1.649
2.542
1.714
1.392

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.071
1.087
1.103
1.179
1.212
1.099
1.661
1.037
1.764
1.123
1.041
1.011
1.766
1.318
1.082
1.214
1.010
1.282
1.930
1.181
1.879
1.073
1.047
1.141
1.368
1.401
1.096
1.012
2.020
1.314
1.220
1.164
1.087
1.393
1.114
1.485
1.498
1.262
1.622
1.173
1.489
1.183
1.063

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.570
0.536
0.509
0.545
0.523
0.616
0.408
0.723
0.393
0.581
0.710
0.802
0.398
0.478
0.636
0.535
0.794
0.486
0.364
0.540
0.386
0.646
0.695
0.569
0.458
0.450
0.610
0.799
0.366
0.476
0.510
0.544
0.618
0.443
0.587
0.423
0.425
0.483
0.393
0.527
0.405
0.514
0.635

B-49

APPENDIX B

: tables of K-values

Table (B-45) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.763
2.595
1.386
1.743
1.197
1.246
1.746
1.962
2.515
1.423
1.696
1.260
1.851
2.270
2.073
1.331
1.752
1.262
1.391
1.509
1.159
1.349
1.125
1.409
1.791
1.161
1.542
1.351
1.190
1.125
1.125
1.346
1.424
1.643
1.161
1.077
1.219
1.564
1.190
1.117
1.117
1.513
1.355
1.161
1.076

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.202
1.316
1.008
1.104
0.965
0.969
1.092
1.146
1.249
0.999
1.043
0.956
1.095
1.176
1.103
0.951
1.018
0.940
0.956
0.977
0.925
0.932
0.915
0.932
0.969
0.903
0.937
0.909
0.896
0.893
0.897
0.894
0.895
0.916
0.879
0.915
0.868
0.885
0.865
0.874
0.873
0.869
0.854
0.849
0.890

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.496
0.357
0.639
0.487
0.809
0.754
0.481
0.428
0.351
0.610
0.488
0.735
0.444
0.365
0.384
0.666
0.454
0.722
0.613
0.537
0.867
0.637
0.941
0.584
0.414
0.861
0.500
0.615
0.804
0.950
0.938
0.616
0.552
0.440
0.847
1.051
0.748
0.459
0.789
0.954
0.955
0.475
0.578
0.831
1.094

B-50

APPENDIX B

: tables of K-values

Table (B-46) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for vapor phase and NRTL model for
liquid phase at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.056
1.072
1.088
1.163
1.196
1.084
1.639
1.023
1.740
1.108
1.027
0.997
1.742
1.300
1.067
1.198
0.996
1.265
1.904
1.165
1.854
1.059
1.033
1.125
1.350
1.382
1.081
0.998
1.993
1.296
1.204
1.149
1.073
1.374
1.099
1.465
1.478
1.245
1.600
1.158
1.469
1.167
1.049

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.584
0.543
0.511
0.546
0.521
0.625
0.401
0.757
0.386
0.585
0.738
0.893
0.391
0.473
0.646
0.533
0.876
0.481
0.356
0.538
0.378
0.658
0.717
0.570
0.452
0.444
0.616
0.874
0.358
0.471
0.506
0.543
0.625
0.436
0.589
0.416
0.418
0.477
0.385
0.524
0.397
0.509
0.640

B-51

APPENDIX B

: tables of K-values

Table (B-46) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.185
1.298
0.994
1.089
0.952
0.956
1.077
1.131
1.232
0.985
1.029
0.943
1.080
1.160
1.088
0.938
1.004
0.928
0.943
0.963
0.912
0.919
0.903
0.919
0.956
0.891
0.924
0.897
0.884
0.881
0.885
0.882
0.883
0.904
0.867
0.903
0.857
0.873
0.854
0.862
0.861
0.857
0.843
0.838
0.878

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.491
0.346
0.639
0.478
0.833
0.767
0.471
0.417
0.340
0.606
0.478
0.742
0.434
0.353
0.372
0.663
0.443
0.724
0.606
0.527
0.889
0.631
0.978
0.574
0.402
0.876
0.488
0.606
0.809
0.981
0.966
0.606
0.540
0.427
0.855
1.132
0.744
0.445
0.788
0.977
0.978
0.461
0.565
0.832
1.170

B-52

APPENDIX B

: tables of K-values

Table (B-47) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for vapor phase and UNIQUAC model
for liquid phase at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.446
1.498
1.560
1.643
1.685
1.430
2.848
1.253
3.066
1.477
1.263
1.140
3.003
1.974
1.384
1.644
1.167
1.885
3.484
1.660
3.339
1.366
1.278
1.524
2.160
2.178
1.445
1.137
3.868
1.903
1.766
1.618
1.422
2.141
1.490
2.468
2.357
1.909
2.876
1.663
2.563
1.728
1.403

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.063
1.079
1.095
1.170
1.203
1.091
1.649
1.029
1.751
1.114
1.034
1.003
1.753
1.308
1.074
1.205
1.002
1.273
1.916
1.172
1.866
1.065
1.040
1.132
1.358
1.391
1.088
1.004
2.005
1.304
1.211
1.156
1.079
1.383
1.106
1.474
1.487
1.252
1.610
1.165
1.478
1.174
1.055

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.564
0.527
0.499
0.539
0.515
0.613
0.400
0.731
0.384
0.575
0.715
0.832
0.389
0.470
0.633
0.527
0.820
0.477
0.355
0.532
0.377
0.644
0.697
0.562
0.449
0.441
0.605
0.822
0.357
0.467
0.501
0.536
0.613
0.434
0.580
0.414
0.416
0.473
0.384
0.518
0.395
0.504
0.628

B-53

APPENDIX B

: tables of K-values

Table (B-47) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.778
2.617
1.397
1.757
1.207
1.256
1.761
1.979
2.536
1.435
1.710
1.271
1.866
2.289
2.090
1.342
1.767
1.273
1.403
1.521
1.169
1.360
1.135
1.421
1.806
1.170
1.555
1.362
1.200
1.134
1.134
1.357
1.436
1.656
1.171
1.086
1.229
1.577
1.200
1.126
1.126
1.526
1.366
1.171
1.085

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.193
1.306
1.000
1.096
0.958
0.962
1.084
1.138
1.240
0.992
1.035
0.949
1.087
1.167
1.095
0.944
1.010
0.933
0.949
0.969
0.918
0.925
0.908
0.925
0.962
0.897
0.930
0.902
0.889
0.887
0.890
0.887
0.888
0.909
0.873
0.908
0.862
0.879
0.859
0.867
0.866
0.862
0.848
0.843
0.884

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.486
0.345
0.629
0.474
0.807
0.747
0.468
0.415
0.339
0.598
0.474
0.725
0.431
0.352
0.371
0.652
0.440
0.710
0.598
0.522
0.860
0.622
0.938
0.568
0.400
0.851
0.485
0.598
0.790
0.943
0.930
0.599
0.535
0.425
0.833
1.052
0.731
0.442
0.772
0.943
0.944
0.458
0.560
0.813
1.091

B-54

APPENDIX B

: tables of K-values

Table (B-48) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PR-EOS for vapor phase and UNIFAC model for
liquid phase at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.6
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.449
1.501
1.563
1.647
1.688
1.433
2.854
1.256
3.073
1.480
1.265
1.142
3.010
1.978
1.386
1.647
1.169
1.889
3.491
1.664
3.346
1.369
1.281
1.527
2.165
2.182
1.448
1.140
3.876
1.907
1.770
1.621
1.425
2.145
1.493
2.473
2.362
1.913
2.882
1.666
2.569
1.732
1.406

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.059
1.075
1.091
1.166
1.199
1.087
1.644
1.026
1.746
1.111
1.030
1.000
1.748
1.304
1.071
1.201
0.999
1.269
1.910
1.169
1.860
1.062
1.036
1.129
1.354
1.386
1.084
1.001
1.999
1.300
1.208
1.152
1.076
1.379
1.102
1.470
1.482
1.249
1.605
1.161
1.474
1.171
1.052

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.573
0.534
0.504
0.542
0.517
0.618
0.400
0.742
0.385
0.579
0.725
0.858
0.390
0.471
0.638
0.530
0.844
0.479
0.356
0.534
0.377
0.650
0.705
0.565
0.450
0.442
0.609
0.843
0.357
0.468
0.503
0.539
0.618
0.434
0.583
0.414
0.417
0.475
0.384
0.520
0.395
0.505
0.633

B-55

APPENDIX B

: tables of K-values

Table (B-48) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.5
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.1
353.55
352.72
353.11
353.4
353.51
353.48
352.91
352.6
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.782
2.622
1.400
1.761
1.209
1.259
1.765
1.983
2.541
1.438
1.713
1.274
1.870
2.294
2.095
1.345
1.771
1.275
1.406
1.524
1.171
1.363
1.137
1.424
1.810
1.173
1.558
1.365
1.202
1.136
1.136
1.360
1.439
1.660
1.173
1.088
1.232
1.581
1.203
1.129
1.128
1.529
1.369
1.174
1.087

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.189
1.302
0.997
1.092
0.955
0.959
1.080
1.134
1.236
0.989
1.032
0.946
1.083
1.163
1.091
0.941
1.007
0.930
0.946
0.966
0.915
0.922
0.905
0.922
0.959
0.894
0.927
0.899
0.887
0.884
0.888
0.885
0.886
0.906
0.870
0.906
0.859
0.876
0.856
0.865
0.864
0.859
0.845
0.840
0.881

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.488
0.345
0.631
0.474
0.813
0.752
0.468
0.415
0.339
0.599
0.475
0.728
0.431
0.352
0.371
0.654
0.440
0.712
0.599
0.522
0.865
0.622
0.943
0.568
0.399
0.853
0.484
0.598
0.791
0.947
0.933
0.599
0.534
0.424
0.834
1.059
0.731
0.442
0.772
0.944
0.945
0.457
0.559
0.812
1.095

B-56

APPENDIX B

: tables of K-values

Table (B-49) K-values of ternary


system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PRSV-EOS with WS mixing rule based on GE
from NRTL model at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal..

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.449
1.501
1.563
1.647
1.688
1.433
2.854
1.256
3.073
1.480
1.265
1.142
3.009
1.978
1.386
1.647
1.169
1.889
3.491
1.664
3.346
1.368
1.281
1.527
2.164
2.182
1.448
1.139
3.876
1.907
1.770
1.621
1.425
2.145
1.492
2.473
2.362
1.913
2.882
1.666
2.568
1.732
1.406

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.574
0.531
0.499
0.538
0.513
0.619
0.394
0.758
0.378
0.577
0.738
0.919
0.383
0.465
0.641
0.525
0.897
0.473
0.349
0.530
0.370
0.652
0.715
0.562
0.443
0.436
0.609
0.892
0.350
0.462
0.497
0.534
0.618
0.428
0.581
0.407
0.409
0.468
0.376
0.514
0.388
0.499
0.632

B-57

APPENDIX B

: tables of K-values

Table (B-49) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal..

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.781
2.622
1.400
1.761
1.209
1.259
1.764
1.983
2.541
1.437
1.713
1.273
1.870
2.294
2.095
1.345
1.770
1.275
1.406
1.524
1.171
1.363
1.137
1.424
1.810
1.173
1.558
1.365
1.202
1.136
1.136
1.360
1.439
1.660
1.173
1.088
1.231
1.581
1.203
1.128
1.128
1.529
1.369
1.173
1.087

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.481
0.335
0.627
0.466
0.826
0.757
0.459
0.406
0.329
0.593
0.465
0.729
0.421
0.341
0.360
0.649
0.429
0.710
0.592
0.512
0.878
0.615
0.968
0.559
0.388
0.862
0.473
0.589
0.793
0.968
0.952
0.590
0.523
0.412
0.837
1.124
0.726
0.430
0.770
0.960
0.961
0.445
0.548
0.812
1.158

B-58

APPENDIX B

: tables of K-values

Table (B-50) K-values of ternary system Ethanol(1)+2-Methyl-2propanol(2)+Octane(3) by using PRSV-EOS with WS mixing rule based on GE
from UNIQUAC model at 101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.33
356.43
356.53
356.74
356.87
356.16
358.88
355.60
359.04
356.26
355.62
355.36
359.03
357.41
355.98
357.01
355.34
357.13
359.15
356.63
359.03
355.86
355.64
356.35
357.53
357.68
356.04
355.31
358.88
357.24
356.77
356.45
355.91
357.33
356.09
357.65
357.81
356.86
357.53
356.18
357.16
356.15
355.58

1.439
1.490
1.552
1.635
1.676
1.423
2.833
1.247
3.051
1.469
1.256
1.134
2.988
1.964
1.376
1.635
1.161
1.875
3.466
1.652
3.322
1.359
1.272
1.516
2.149
2.167
1.438
1.131
3.848
1.893
1.757
1.610
1.415
2.130
1.482
2.455
2.345
1.899
2.862
1.654
2.550
1.719
1.396

1.452
1.504
1.566
1.650
1.692
1.436
2.860
1.258
3.079
1.483
1.268
1.145
3.016
1.982
1.389
1.650
1.172
1.892
3.498
1.667
3.353
1.371
1.284
1.530
2.169
2.187
1.451
1.142
3.884
1.911
1.774
1.624
1.428
2.149
1.496
2.478
2.367
1.917
2.888
1.670
2.574
1.735
1.409

1.052
1.068
1.084
1.158
1.191
1.080
1.632
1.019
1.733
1.103
1.023
0.993
1.735
1.295
1.063
1.193
0.992
1.260
1.896
1.160
1.846
1.054
1.029
1.121
1.344
1.376
1.077
0.994
1.984
1.290
1.199
1.144
1.068
1.369
1.094
1.459
1.472
1.240
1.594
1.153
1.463
1.162
1.044

1.054
1.070
1.086
1.161
1.193
1.082
1.635
1.021
1.737
1.105
1.025
0.995
1.739
1.298
1.065
1.195
0.994
1.262
1.900
1.163
1.850
1.057
1.031
1.123
1.347
1.379
1.079
0.996
1.989
1.293
1.201
1.146
1.070
1.372
1.097
1.462
1.475
1.242
1.597
1.155
1.466
1.165
1.047

0.523
0.483
0.455
0.514
0.489
0.592
0.376
0.730
0.361
0.550
0.709
0.904
0.366
0.444
0.613
0.503
0.877
0.451
0.331
0.506
0.354
0.625
0.687
0.537
0.423
0.416
0.582
0.873
0.333
0.441
0.475
0.510
0.591
0.407
0.555
0.388
0.391
0.446
0.358
0.491
0.368
0.476
0.606

0.579
0.536
0.504
0.541
0.516
0.621
0.396
0.755
0.381
0.580
0.735
0.899
0.386
0.468
0.642
0.528
0.880
0.476
0.351
0.533
0.373
0.653
0.713
0.565
0.446
0.439
0.611
0.876
0.352
0.465
0.500
0.537
0.619
0.430
0.583
0.410
0.412
0.471
0.378
0.517
0.390
0.501
0.633

B-59

APPENDIX B

: tables of K-values

Table (B-50) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

356.08
353.89
354.76
354.75
354.50
354.49
354.58
354.32
353.16
354.47
354.12
354.24
353.93
352.83
352.89
354.04
353.33
353.95
353.85
353.56
353.88
353.63
353.77
353.31
352.10
353.55
352.72
353.11
353.40
353.51
353.48
352.91
352.60
351.72
353.16
353.72
352.94
351.56
352.95
353.17
353.15
351.54
352.16
352.73
353.44

1.769
2.603
1.390
1.748
1.201
1.250
1.752
1.968
2.523
1.427
1.701
1.264
1.857
2.278
2.080
1.335
1.758
1.266
1.396
1.513
1.163
1.353
1.129
1.414
1.797
1.164
1.547
1.355
1.194
1.128
1.128
1.350
1.429
1.648
1.165
1.081
1.223
1.569
1.194
1.120
1.120
1.518
1.359
1.165
1.079

1.785
2.627
1.403
1.764
1.212
1.262
1.768
1.987
2.546
1.440
1.717
1.276
1.874
2.299
2.099
1.348
1.774
1.278
1.409
1.527
1.173
1.366
1.139
1.427
1.814
1.175
1.561
1.367
1.205
1.139
1.139
1.363
1.442
1.663
1.175
1.091
1.234
1.584
1.205
1.131
1.131
1.532
1.372
1.176
1.089

1.180
1.293
0.990
1.085
0.948
0.952
1.073
1.126
1.227
0.981
1.024
0.939
1.075
1.155
1.083
0.934
1.000
0.924
0.939
0.960
0.909
0.915
0.899
0.915
0.952
0.888
0.920
0.893
0.880
0.878
0.881
0.878
0.879
0.900
0.864
0.899
0.853
0.870
0.850
0.859
0.858
0.853
0.839
0.834
0.875

1.183
1.296
0.992
1.087
0.950
0.954
1.075
1.128
1.230
0.983
1.027
0.941
1.078
1.157
1.086
0.936
1.002
0.926
0.941
0.962
0.911
0.917
0.901
0.917
0.954
0.889
0.922
0.895
0.882
0.880
0.883
0.880
0.881
0.902
0.866
0.901
0.855
0.871
0.852
0.860
0.859
0.855
0.841
0.836
0.877

0.458
0.315
0.603
0.443
0.813
0.738
0.436
0.383
0.308
0.569
0.442
0.709
0.399
0.320
0.338
0.627
0.406
0.690
0.568
0.489
0.876
0.592
0.989
0.535
0.365
0.859
0.450
0.566
0.782
0.990
0.970
0.567
0.500
0.389
0.833
1.262
0.711
0.406
0.758
0.981
0.982
0.422
0.525
0.806
1.311

0.483
0.337
0.627
0.467
0.819
0.753
0.460
0.407
0.330
0.593
0.466
0.726
0.422
0.342
0.361
0.648
0.430
0.707
0.591
0.513
0.868
0.614
0.952
0.559
0.389
0.853
0.474
0.588
0.787
0.952
0.938
0.589
0.524
0.413
0.830
1.085
0.723
0.430
0.765
0.946
0.947
0.446
0.547
0.806
1.119

B-60

APPENDIX B

: tables of K-values

B.2.3 ternary system ()

[MTBE (1) +Ethanol (2) + Octane (3)]


Table (B-51) K-values of ternary system MTBE (1) +Ethanol (2) +Octane (3) by
using SRK-EOS for two phases at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170

3.6282
2.3433
2.4390
1.9413
3.3502
2.5601
3.4495
1.9198
1.9247
2.1787
2.2799
2.4256
2.0830
3.1781
2.5575
2.1609
1.8632
2.2491
2.9744
1.8881
2.0876
2.3781
1.8888
1.8985
2.2159
1.8407
2.8861
1.8350
2.0756
1.9148
2.2921
2.0324
2.7232
2.3964
1.9262
2.0739
1.9528
2.1478
2.1573

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949

0.8915
1.1413
1.0725
2.8054
0.8845
1.0118
0.8689
2.4317
2.1651
1.2299
1.1122
1.0030
1.2499
0.8282
0.9356
1.1533
1.4463
1.0621
0.8136
1.9973
1.2235
7.6946
1.7951
3.2120
6.4022
1.5991
0.7624
2.6760
4.9996
1.3381
0.8774
1.0733
0.7213
0.8036
1.1913
0.9760
1.0723
0.8859
6.0386

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287

0.9730
0.5499
0.6033
0.2976
0.9526
0.6656
0.9343
0.3069
0.3172
0.4713
0.5280
0.6075
0.4487
0.8631
0.6751
0.4843
0.3943
0.5276
0.8404
0.3115
0.4304
0.2923
0.3251
0.2775
0.2788
0.3438
0.7847
0.2831
0.2741
0.3684
0.5825
0.4398
0.7200
0.6393
0.3950
0.4775
0.4264
0.5209
0.2630

B-61

APPENDIX B

: tables of K-values

Table (B-51) continued.


T/K
345.66
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.7438
2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802

1.7770
2.4494
2.0498
1.7800
1.8088
2.1589
1.7811
2.3411
2.2621
2.2419
1.8784
1.7791
2.1516
1.7197
2.1567
2.0748
1.7847
1.8577
1.6685
2.0141
1.7861
2.0207
1.8082
1.6445
1.6829
1.9688
1.8055
1.8183
1.7117
1.8211
1.6298
1.6134
1.8386
1.8476
1.8150
1.7908
1.5632
1.6085
1.7628
1.6420
1.5166
1.6677
1.5083

1.5817
0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096

1.6203
0.7036
5.1242
1.4729
2.9702
0.7516
1.3180
7.3922
0.6902
0.6810
3.6681
1.1141
6.0109
2.1839
0.6547
0.6864
0.9944
3.7530
1.4682
4.9913
3.3445
0.6415
0.8223
1.2617
2.4392
0.6498
0.7886
0.7349
2.8524
0.7175
1.1119
2.0467
0.6638
0.6365
0.6403
0.6558
1.8971
0.8345
3.7125
0.7093
1.0551
0.6436
1.6489

0.2614
0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864

0.3079
0.6662
0.2555
0.3153
0.2599
0.5752
0.3277
0.2659
0.6156
0.6163
0.2324
0.3564
0.2550
0.2599
0.5966
0.5689
0.3775
0.2458
0.2938
0.2492
0.2417
0.5701
0.4248
0.3097
0.2471
0.5509
0.4378
0.4643
0.2366
0.4707
0.3224
0.2503
0.5114
0.5234
0.5326
0.5087
0.2445
0.3698
0.2337
0.4330
0.3096
0.4830
0.2495

B-62

APPENDIX B

: tables of K-values

Table (B-51) continued.


T/K
337.97
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.4996
1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5282
1.5964
1.6262
1.5948
1.6139
1.6414
1.4782
1.4993
1.4778
1.6541
1.5780
1.4435
1.5440
1.4415
1.4434
1.4669
1.4301
1.4180
1.3802
1.4914
1.3857
1.3754
1.3520
1.3435
1.3505
1.3977
1.3415
1.3250
1.3159
1.3111
1.2981
1.3976
1.2880
1.2524
1.3193
1.2352
1.2426
1.2717
1.2505
1.1826

0.9078
0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.9299
0.7386
2.7289
0.7356
0.6709
0.6258
1.3685
0.9108
1.0661
3.1020
0.6580
1.4157
2.3000
1.2099
0.9307
0.7919
1.6384
1.0305
1.2150
2.3272
0.9273
1.4073
0.9599
1.0390
0.8095
1.9091
1.3442
1.2132
1.1260
0.9845
0.8894
2.0647
1.1601
0.8625
1.7629
1.0016
0.7163
1.6375
1.4824
1.2598

0.2427
0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.3343
0.4049
0.2271
0.4057
0.4599
0.5001
0.2637
0.3294
0.2971
0.2284
0.4653
0.2584
0.2235
0.2729
0.3186
0.3666
0.2433
0.2867
0.2747
0.2250
0.3130
0.2499
0.3077
0.2908
0.3500
0.2304
0.2518
0.2625
0.2319
0.2952
0.3258
0.2280
0.2678
0.3449
0.2325
0.2976
0.4319
0.2430
0.2459
0.2743

B-63

APPENDIX B

: tables of K-values

Table (B-52) K-values of ternary system MTBE (1) +Ethanol (2) +Octane (3) by
using PR-EOS for two phases at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
2.4036

3.5977
2.3236
2.4185
1.9249
3.3220
2.5386
3.4206
1.9037
1.9085
2.1604
2.2607
2.4052
2.0654
3.1514
2.5360
2.1427
1.8476
2.2302
2.9494
1.8722
2.0700
2.3582
1.8729
1.8825
2.1973
1.8252
2.8619
1.8195
2.0581
1.8987
2.2728
2.0153
2.7003
2.3762
1.9100
2.0565
1.9364
2.1298
2.1392
1.7621
2.4288

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.6868

0.8784
1.1245
1.0567
2.7641
0.8715
0.9969
0.8561
2.3959
2.1333
1.2118
1.0958
0.9882
1.2315
0.8160
0.9219
1.1363
1.4251
1.0465
0.8017
1.9680
1.2055
7.5814
1.7687
3.1648
6.3080
1.5756
0.7512
2.6366
4.9261
1.3185
0.8645
1.0576
0.7107
0.7918
1.1738
0.9617
1.0566
0.8729
5.9498
1.5965
0.6932

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
0.6972

1.1504
0.5574
0.6171
0.2918
1.1115
0.6892
1.0788
0.3012
0.3117
0.4729
0.5350
0.6255
0.4493
1.0055
0.7068
0.4880
0.3917
0.5362
0.9680
0.3064
0.4307
0.2875
0.3205
0.2722
0.2739
0.3399
0.9315
0.2779
0.2692
0.3662
0.6068
0.4432
0.8332
0.6836
0.3948
0.4858
0.4293
0.5373
0.2588
0.3039
0.7526

B-64

APPENDIX B

: tables of K-values

Table (B-52) continued.


T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
1.5666

2.0326
1.7651
1.7936
2.1407
1.7662
2.3215
2.2431
2.2231
1.8626
1.7642
2.1335
1.7052
2.1385
2.0573
1.7697
1.8421
1.6545
1.9971
1.7711
2.0037
1.7930
1.6306
1.6687
1.9523
1.7904
1.8030
1.6973
1.8057
1.6161
1.5999
1.8231
1.8320
1.7997
1.7758
1.5500
1.5949
1.7480
1.6282
1.5039
1.6537
1.4957
1.5153
1.5830

5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.7210

5.0488
1.4513
2.9265
0.7406
1.2986
7.2835
0.6801
0.6710
3.6141
1.0977
5.9225
2.1518
0.6451
0.6763
0.9798
3.6978
1.4466
4.9179
3.2953
0.6320
0.8102
1.2432
2.4034
0.6402
0.7770
0.7241
2.8104
0.7070
1.0955
2.0166
0.6541
0.6272
0.6309
0.6461
1.8692
0.8222
3.6579
0.6989
1.0396
0.6342
1.6246
0.9163
0.7277

0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.2820

0.2512
0.3118
0.2552
0.6154
0.3251
0.2626
0.6840
0.6909
0.2279
0.3562
0.2516
0.2555
0.6719
0.6223
0.3799
0.2418
0.2905
0.2459
0.2378
0.6397
0.4358
0.3076
0.2431
0.6097
0.4521
0.4864
0.2328
0.4957
0.3217
0.2465
0.5545
0.5771
0.5901
0.5536
0.2410
0.3766
0.2312
0.4542
0.3095
0.5235
0.2464
0.3369
0.4201

B-65

APPENDIX B

: tables of K-values

Table (B-52) continued.


T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.6125
1.5814
1.6003
1.6276
1.4658
1.4867
1.4654
1.6402
1.5647
1.4313
1.5310
1.4294
1.4313
1.4546
1.4180
1.4061
1.3686
1.4788
1.3740
1.3639
1.3406
1.3322
1.3392
1.3860
1.3302
1.3139
1.3048
1.3001
1.2871
1.3858
1.2772
1.2419
1.3082
1.2248
1.2322
1.2610
1.2400
1.1726

2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

2.6887
0.7247
0.6610
0.6166
1.3484
0.8974
1.0505
3.0564
0.6483
1.3949
2.2662
1.1921
0.9171
0.7803
1.6144
1.0154
1.1971
2.2930
0.9137
1.3866
0.9458
1.0237
0.7976
1.8810
1.3245
1.1954
1.1094
0.9700
0.8764
2.0344
1.1430
0.8498
1.7370
0.9869
0.7058
1.6134
1.4606
1.2412

0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.2241
0.4211
0.4916
0.5522
0.2613
0.3323
0.2968
0.2259
0.5013
0.2559
0.2206
0.2713
0.3210
0.3760
0.2408
0.2868
0.2735
0.2227
0.3158
0.2481
0.3101
0.2916
0.3589
0.2285
0.2505
0.2618
0.2301
0.2973
0.3314
0.2266
0.2680
0.3538
0.2316
0.3010
0.4620
0.2431
0.2461
0.2770

B-66

APPENDIX B

: tables of K-values

Table (B-53) K-values of ternary system MTBE (1) +Ethanol (2) +Octane (3) by
using SRK-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.
T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66
340.76

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438
2.4036

3.5238
2.2759
2.3688
1.8854
3.2538
2.4865
3.3503
1.8646
1.8693
2.1160
2.2143
2.3558
2.0230
3.0867
2.4839
2.0987
1.8096
2.1844
2.8888
1.8338
2.0275
2.3097
1.8344
1.8438
2.1522
1.7877
2.8031
1.7822
2.0159
1.8597
2.2262
1.9739
2.6449
2.3274
1.8707
2.0142
1.8966
2.0860
2.0952
1.7259
2.3789

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817
0.6868

0.8685
1.1118
1.0448
2.7329
0.8616
0.9857
0.8464
2.3689
2.1092
1.1981
1.0835
0.9771
1.2176
0.8068
0.9115
1.1235
1.4090
1.0347
0.7926
1.9458
1.1919
7.4960
1.7488
3.1291
6.2369
1.5578
0.7427
2.6069
4.8705
1.3036
0.8548
1.0456
0.7026
0.7829
1.1606
0.9508
1.0447
0.8630
5.8828
1.5785
0.6854

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614
0.6972

1.3442
0.5733
0.6388
0.2936
1.2840
0.7196
1.2341
0.3034
0.3144
0.4838
0.5512
0.6520
0.4593
1.1717
0.7465
0.5013
0.3983
0.5546
1.1179
0.3097
0.4410
0.2887
0.3245
0.2741
0.2752
0.3451
1.1255
0.2803
0.2708
0.3738
0.6436
0.4578
0.9862
0.7435
0.4053
0.5062
0.4437
0.5671
0.2607
0.3092
0.8747

B-67

APPENDIX B

: tables of K-values

Table (B-53) continued.


T/K
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97
336.39

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996
1.5666

1.9908
1.7288
1.7567
2.0968
1.7299
2.2738
2.1970
2.1774
1.8243
1.7279
2.0897
1.6702
2.0946
2.0151
1.7333
1.8043
1.6205
1.9561
1.7347
1.9625
1.7562
1.5971
1.6344
1.9121
1.7536
1.7660
1.6625
1.7686
1.5829
1.5670
1.7856
1.7944
1.7627
1.7393
1.5182
1.5622
1.7121
1.5948
1.4730
1.6198
1.4649
1.4842
1.5505

5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078
0.7210

4.9919
1.4349
2.8936
0.7322
1.2839
7.2014
0.6724
0.6634
3.5734
1.0853
5.8558
2.1275
0.6378
0.6687
0.9687
3.6562
1.4303
4.8625
3.2582
0.6249
0.8010
1.2292
2.3763
0.6330
0.7683
0.7159
2.7788
0.6990
1.0832
1.9939
0.6467
0.6201
0.6238
0.6389
1.8482
0.8130
3.6167
0.6910
1.0279
0.6270
1.6063
0.9059
0.7195

0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427
0.2820

0.2534
0.3182
0.2581
0.6775
0.3331
0.2649
0.7867
0.8052
0.2306
0.3681
0.2542
0.2596
0.7934
0.7091
0.3959
0.2448
0.2974
0.2488
0.2412
0.7594
0.4650
0.3168
0.2472
0.7128
0.4865
0.5330
0.2366
0.5473
0.3339
0.2516
0.6362
0.6785
0.6995
0.6412
0.2469
0.4029
0.2355
0.5059
0.3242
0.6099
0.2537
0.3568
0.4624

B-68

APPENDIX B

: tables of K-values

Table (B-53) continued.


T/K
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5794
1.5489
1.5674
1.5942
1.4357
1.4561
1.4353
1.6065
1.5326
1.4019
1.4995
1.4000
1.4018
1.4247
1.3889
1.3772
1.3405
1.4484
1.3458
1.3359
1.3131
1.3048
1.3116
1.3575
1.3029
1.2869
1.2780
1.2734
1.2607
1.3573
1.2510
1.2164
1.2813
1.1997
1.2068
1.2351
1.2145
1.1485

2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

2.6584
0.7166
0.6536
0.6097
1.3332
0.8873
1.0386
3.0220
0.6410
1.3792
2.2406
1.1786
0.9067
0.7715
1.5962
1.0039
1.1836
2.2671
0.9034
1.3710
0.9351
1.0122
0.7886
1.8598
1.3095
1.1819
1.0969
0.9591
0.8665
2.0115
1.1301
0.8402
1.7174
0.9757
0.6978
1.5953
1.4442
1.2272

0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.2291
0.4638
0.5637
0.6646
0.2709
0.3536
0.3115
0.2311
0.5843
0.2656
0.2266
0.2835
0.3423
0.4112
0.2495
0.3035
0.2872
0.2297
0.3391
0.2595
0.3330
0.3111
0.3972
0.2377
0.2634
0.2772
0.2464
0.3206
0.3638
0.2359
0.2862
0.3959
0.2438
0.3300
0.5596
0.2584
0.2631
0.3040

B-69

APPENDIX B

: tables of K-values

Table (B-54) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by using


SRK-EOS for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.

T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438

3.5567
2.2971
2.3909
1.9030
3.2841
2.5097
3.3816
1.8820
1.8867
2.1358
2.2350
2.3778
2.0419
3.1155
2.5071
2.1183
1.8265
2.2048
2.9158
1.8509
2.0464
2.3313
1.8515
1.8611
2.1723
1.8044
2.8293
1.7988
2.0347
1.8771
2.2469
1.9923
2.6695
2.3491
1.8882
2.0330
1.9143
2.1055
2.1148
1.7420

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

0.8730
1.1176
1.0502
2.7470
0.8661
0.9908
0.8508
2.3811
2.1201
1.2043
1.0890
0.9821
1.2239
0.8110
0.9162
1.1293
1.4163
1.0400
0.7967
1.9558
1.1981
7.5346
1.7578
3.1452
6.2690
1.5658
0.7466
2.6203
4.8956
1.3103
0.8592
1.0510
0.7063
0.7869
1.1666
0.9557
1.0500
0.8675
5.9131
1.5866

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614

1.2493
0.5661
0.6289
0.2928
1.2001
0.7056
1.1591
0.3024
0.3132
0.4789
0.5439
0.6399
0.4549
1.0910
0.7283
0.4953
0.3954
0.5464
1.0456
0.3083
0.4365
0.2883
0.3228
0.2733
0.2747
0.3429
1.0301
0.2793
0.2702
0.3705
0.6270
0.4514
0.9122
0.7160
0.4008
0.4972
0.4374
0.5538
0.2600
0.3070

B-70

APPENDIX B

: tables of K-values

Table (B-54) continued.


T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996

2.4011
2.0094
1.7449
1.7731
2.1163
1.7460
2.2950
2.2175
2.1977
1.8413
1.7441
2.1092
1.6858
2.1142
2.0339
1.7495
1.8211
1.6357
1.9744
1.7509
1.9808
1.7725
1.6121
1.6497
1.9300
1.7700
1.7825
1.6780
1.7852
1.5977
1.5816
1.8023
1.8112
1.7792
1.7555
1.5324
1.5767
1.7280
1.6097
1.4867
1.6349
1.4786
1.4981

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6889
5.0176
1.4423
2.9085
0.7360
1.2906
7.2385
0.6759
0.6668
3.5918
1.0909
5.8859
2.1385
0.6411
0.6722
0.9737
3.6750
1.4377
4.8875
3.2749
0.6281
0.8052
1.2355
2.3885
0.6363
0.7722
0.7196
2.7931
0.7026
1.0887
2.0042
0.6500
0.6233
0.6270
0.6421
1.8577
0.8172
3.6353
0.6946
1.0332
0.6303
1.6146
0.9106

0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427

0.8166
0.2526
0.3156
0.2570
0.6490
0.3298
0.2641
0.7384
0.7510
0.2296
0.3631
0.2533
0.2580
0.7356
0.6687
0.3891
0.2437
0.2946
0.2478
0.2399
0.7025
0.4523
0.3130
0.2457
0.6644
0.4713
0.5122
0.2352
0.5241
0.3288
0.2497
0.5984
0.6309
0.6478
0.6005
0.2447
0.3916
0.2340
0.4828
0.3182
0.5698
0.2509
0.3484

B-71

APPENDIX B

: tables of K-values

Table (B-54) continued.


T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5650
1.5942
1.5634
1.5820
1.6090
1.4491
1.4697
1.4487
1.6215
1.5469
1.4150
1.5135
1.4131
1.4149
1.4380
1.4019
1.3900
1.3530
1.4620
1.3583
1.3483
1.3253
1.3170
1.3239
1.3702
1.3151
1.2989
1.2899
1.2853
1.2725
1.3700
1.2626
1.2277
1.2933
1.2109
1.2181
1.2466
1.2258
1.1593

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.7232
2.6721
0.7203
0.6569
0.6128
1.3401
0.8919
1.0440
3.0375
0.6443
1.3863
2.2522
1.1847
0.9114
0.7754
1.6044
1.0091
1.1897
2.2788
0.9080
1.3781
0.9399
1.0174
0.7927
1.8694
1.3163
1.1880
1.1026
0.9640
0.8709
2.0218
1.1360
0.8446
1.7262
0.9808
0.7014
1.6035
1.4516
1.2336

0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.4438
0.2273
0.4449
0.5307
0.6113
0.2671
0.3446
0.3055
0.2292
0.5459
0.2618
0.2244
0.2786
0.3334
0.3959
0.2462
0.2967
0.2817
0.2271
0.3293
0.2550
0.3234
0.3031
0.3805
0.2342
0.2583
0.2710
0.2400
0.3109
0.3499
0.2324
0.2788
0.3775
0.2392
0.3178
0.5136
0.2524
0.2563
0.2928

B-72

APPENDIX B

: tables of K-values

Table (B-55) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by using


SRK-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.

T/K
347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438

3.5530
2.2948
2.3884
1.9010
3.2807
2.5071
3.3781
1.8800
1.8848
2.1336
2.2327
2.3753
2.0398
3.1123
2.5045
2.1161
1.8246
2.2025
2.9127
1.8490
2.0443
2.3289
1.8496
1.8591
2.1700
1.8025
2.8263
1.7969
2.0326
1.8751
2.2446
1.9902
2.6668
2.3467
1.8862
2.0309
1.9123
2.1033
2.1126
1.7402

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

0.8775
1.1234
1.0556
2.7612
0.8706
0.9959
0.8552
2.3934
2.1311
1.2105
1.0947
0.9872
1.2302
0.8152
0.9209
1.1351
1.4236
1.0454
0.8008
1.9659
1.2043
7.5736
1.7669
3.1615
6.3015
1.5739
0.7504
2.6339
4.9210
1.3171
0.8636
1.0565
0.7099
0.7910
1.1726
0.9607
1.0555
0.8720
5.9437
1.5948

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614

1.1730
0.5598
0.6204
0.2923
1.1331
0.6938
1.0992
0.3018
0.3124
0.4749
0.5380
0.6302
0.4514
1.0306
0.7139
0.4907
0.3932
0.5400
0.9927
0.3074
0.4332
0.2882
0.3217
0.2730
0.2746
0.3415
0.9664
0.2789
0.2700
0.3685
0.6157
0.4473
0.8652
0.6977
0.3980
0.4915
0.4336
0.5454
0.2600
0.3060

B-73

APPENDIX B

: tables of K-values

Table (B-55) continued.


T/K
340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996

2.3986
2.0073
1.7431
1.7713
2.1141
1.7442
2.2926
2.2152
2.1954
1.8394
1.7423
2.1070
1.6841
2.1120
2.0318
1.7477
1.8192
1.6340
1.9723
1.7491
1.9788
1.7707
1.6104
1.6480
1.9280
1.7681
1.7806
1.6762
1.7833
1.5960
1.5800
1.8005
1.8093
1.7773
1.7537
1.5308
1.5751
1.7263
1.6080
1.4852
1.6332
1.4771
1.4965

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6925
5.0436
1.4498
2.9235
0.7398
1.2972
7.2760
0.6794
0.6703
3.6104
1.0965
5.9164
2.1496
0.6444
0.6756
0.9787
3.6940
1.4451
4.9128
3.2919
0.6314
0.8093
1.2419
2.4009
0.6396
0.7762
0.7233
2.8075
0.7062
1.0944
2.0146
0.6534
0.6265
0.6302
0.6455
1.8673
0.8214
3.6541
0.6982
1.0385
0.6335
1.6229
0.9153

0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427

0.7820
0.2525
0.3143
0.2567
0.6328
0.3282
0.2641
0.7115
0.7216
0.2295
0.3607
0.2533
0.2576
0.7063
0.6481
0.3859
0.2436
0.2937
0.2478
0.2398
0.6760
0.4465
0.3117
0.2454
0.6422
0.4647
0.5031
0.2351
0.5141
0.3271
0.2493
0.5825
0.6113
0.6269
0.5842
0.2443
0.3878
0.2340
0.4747
0.3166
0.5560
0.2505
0.3461

B-74

APPENDIX B

: tables of K-values

Table (B-55) continued.


T/K
336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5633
1.5925
1.5617
1.5804
1.6074
1.4476
1.4682
1.4472
1.6198
1.5453
1.4136
1.5120
1.4116
1.4135
1.4365
1.4004
1.3886
1.3516
1.4605
1.3569
1.3469
1.3240
1.3156
1.3225
1.3688
1.3137
1.2976
1.2886
1.2840
1.2712
1.3686
1.2613
1.2265
1.2920
1.2096
1.2169
1.2454
1.2246
1.1581

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.7270
2.6859
0.7240
0.6603
0.6160
1.3470
0.8965
1.0494
3.0532
0.6477
1.3935
2.2638
1.1908
0.9161
0.7795
1.6127
1.0143
1.1959
2.2906
0.9127
1.3852
0.9448
1.0226
0.7968
1.8791
1.3231
1.1942
1.1083
0.9690
0.8754
2.0323
1.1418
0.8489
1.7352
0.9858
0.7051
1.6118
1.4591
1.2400

0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.4377
0.2272
0.4388
0.5198
0.5938
0.2665
0.3423
0.3041
0.2292
0.5340
0.2612
0.2243
0.2778
0.3314
0.3920
0.2459
0.2955
0.2809
0.2271
0.3276
0.2547
0.3219
0.3020
0.3776
0.2342
0.2580
0.2705
0.2393
0.3097
0.3481
0.2325
0.2783
0.3755
0.2393
0.3170
0.5083
0.2526
0.2565
0.2931

B-75

APPENDIX B

: tables of K-values

Table (B-56) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by using


PR-EOS for vapor phase and NRTL model for liquid phase at 101.3KPa.

T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438

3.5641
2.3019
2.3959
1.9069
3.2909
2.5149
3.3885
1.8859
1.8906
2.1402
2.2396
2.3827
2.0461
3.1219
2.5123
2.1227
1.8303
2.2093
2.9218
1.8547
2.0506
2.3361
1.8554
1.8649
2.1768
1.8081
2.8351
1.8025
2.0389
1.8809
2.2516
1.9964
2.6751
2.3540
1.8921
2.0372
1.9183
2.1098
2.1191
1.7456

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

0.8774
1.1232
1.0555
2.7610
0.8705
0.9958
0.8551
2.3932
2.1309
1.2104
1.0946
0.9871
1.2301
0.8151
0.9208
1.1350
1.4235
1.0453
0.8008
1.9657
1.2041
7.5729
1.7667
3.1612
6.3009
1.5738
0.7504
2.6336
4.9205
1.3170
0.8636
1.0564
0.7099
0.7909
1.1725
0.9606
1.0554
0.8719
5.9431
1.5947

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614

1.2012
0.5426
0.6030
0.2806
1.1520
0.6768
1.1112
0.2894
0.2994
0.4575
0.5193
0.6106
0.4337
1.0308
0.6943
0.4718
0.3770
0.5197
0.9862
0.2933
0.4144
0.2782
0.3068
0.2608
0.2640
0.3254
0.9505
0.2659
0.2589
0.3500
0.5887
0.4247
0.8324
0.6673
0.3773
0.4663
0.4104
0.5167
0.2482
0.2886

B-76

APPENDIX B

: tables of K-values

Table (B-56) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996

2.4061
2.0135
1.7485
1.7768
2.1207
1.7496
2.2997
2.2221
2.2023
1.8451
1.7477
2.1136
1.6893
2.1185
2.0381
1.7531
1.8249
1.6390
1.9785
1.7545
1.9849
1.7762
1.6154
1.6531
1.9340
1.7736
1.7862
1.6814
1.7888
1.6010
1.5849
1.8060
1.8149
1.7829
1.7591
1.5355
1.5800
1.7316
1.6130
1.4898
1.6383
1.4817
1.5012

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6924
5.0431
1.4496
2.9232
0.7397
1.2971
7.2753
0.6793
0.6702
3.6101
1.0964
5.9158
2.1494
0.6444
0.6756
0.9787
3.6937
1.4450
4.9124
3.2916
0.6313
0.8093
1.2418
2.4007
0.6395
0.7761
0.7233
2.8073
0.7062
1.0943
2.0144
0.6533
0.6265
0.6302
0.6454
1.8671
0.8213
3.6538
0.6981
1.0384
0.6335
1.6228
0.9152

0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427

0.7402
0.2402
0.2956
0.2428
0.5926
0.3076
0.2521
0.6634
0.6702
0.2153
0.3363
0.2405
0.2412
0.6482
0.5961
0.3578
0.2294
0.2733
0.2341
0.2247
0.6118
0.4089
0.2884
0.2287
0.5796
0.4239
0.4559
0.2186
0.4642
0.3002
0.2307
0.5213
0.5428
0.5571
0.5193
0.2240
0.3473
0.2172
0.4189
0.2853
0.4861
0.2277
0.3099

B-77

APPENDIX B

: tables of K-values

Table (B-56) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5682
1.5975
1.5666
1.5853
1.6124
1.4521
1.4728
1.4517
1.6249
1.5501
1.4179
1.5167
1.4160
1.4179
1.4410
1.4048
1.3929
1.3558
1.4650
1.3612
1.3511
1.3281
1.3197
1.3266
1.3730
1.3178
1.3016
1.2926
1.2880
1.2751
1.3728
1.2652
1.2303
1.2960
1.2134
1.2206
1.2492
1.2284
1.1617

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.7269
2.6857
0.7239
0.6603
0.6159
1.3469
0.8964
1.0493
3.0530
0.6476
1.3933
2.2636
1.1907
0.9160
0.7794
1.6125
1.0142
1.1958
2.2904
0.9126
1.3851
0.9447
1.0225
0.7967
1.8789
1.3230
1.1940
1.1082
0.9689
0.8754
2.0321
1.1417
0.8488
1.7350
0.9857
0.7050
1.6116
1.4590
1.2398

0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.3856
0.2085
0.3865
0.4540
0.5141
0.2404
0.3038
0.2719
0.2107
0.4622
0.2347
0.2033
0.2479
0.2920
0.3418
0.2205
0.2595
0.2490
0.2045
0.2850
0.2250
0.2795
0.2626
0.3219
0.2077
0.2256
0.2350
0.1971
0.2655
0.2961
0.2057
0.2388
0.3157
0.2075
0.2657
0.4206
0.2166
0.2176
0.2426

B-78

APPENDIX B

: tables of K-values

Table (B-57) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by using


PR-EOS for vapor phase and UNIQUAC model for liquid phase at 101.3KPa.

T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438

3.5973
2.3234
2.4182
1.9247
3.3216
2.5383
3.4201
1.9035
1.9083
2.1601
2.2605
2.4049
2.0652
3.1511
2.5357
2.1425
1.8473
2.2299
2.9490
1.8720
2.0698
2.3579
1.8727
1.8823
2.1971
1.8250
2.8615
1.8193
2.0579
1.8985
2.2726
2.0150
2.7000
2.3760
1.9097
2.0562
1.9362
2.1295
2.1389
1.7619

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

0.8819
1.1290
1.0609
2.7752
0.8750
1.0009
0.8595
2.4055
2.1418
1.2167
1.1002
0.9922
1.2364
0.8193
0.9256
1.1409
1.4308
1.0507
0.8049
1.9759
1.2103
7.6118
1.7758
3.1775
6.3333
1.5819
0.7542
2.6472
4.9458
1.3237
0.8680
1.0618
0.7135
0.7950
1.1785
0.9655
1.0608
0.8764
5.9737
1.6029

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614

1.1153
0.5358
0.5936
0.2799
1.0758
0.6637
1.0429
0.2885
0.2984
0.4529
0.5124
0.5993
0.4294
0.9589
0.6773
0.4662
0.3743
0.5120
0.9217
0.2920
0.4101
0.2778
0.3052
0.2601
0.2636
0.3233
0.8686
0.2649
0.2583
0.3469
0.5734
0.4188
0.7691
0.6424
0.3730
0.4579
0.4046
0.5045
0.2476
0.2865

B-79

APPENDIX B

: tables of K-values

Table (B-57) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996

2.4285
2.0323
1.7648
1.7933
2.1405
1.7659
2.3212
2.2428
2.2228
1.8624
1.7640
2.1333
1.7050
2.1383
2.0571
1.7694
1.8419
1.6543
1.9969
1.7709
2.0034
1.7928
1.6305
1.6685
1.9520
1.7902
1.8028
1.6971
1.8055
1.6159
1.5997
1.8229
1.8318
1.7995
1.7756
1.5498
1.5947
1.7478
1.6280
1.5037
1.6535
1.4955
1.5152

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6960
5.0691
1.4571
2.9383
0.7435
1.3038
7.3127
0.6828
0.6737
3.6286
1.1021
5.9463
2.1604
0.6477
0.6791
0.9837
3.7127
1.4524
4.9377
3.3085
0.6346
0.8134
1.2482
2.4130
0.6428
0.7801
0.7270
2.8217
0.7098
1.0999
2.0247
0.6567
0.6297
0.6334
0.6487
1.8767
0.8255
3.6726
0.7017
1.0438
0.6367
1.6311
0.9199

0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427

0.6905
0.2394
0.2931
0.2418
0.5675
0.3045
0.2514
0.6222
0.6246
0.2144
0.3317
0.2397
0.2398
0.6003
0.5618
0.3516
0.2284
0.2707
0.2332
0.2236
0.5653
0.3976
0.2849
0.2272
0.5397
0.4106
0.4380
0.2173
0.4445
0.2957
0.2290
0.4900
0.5042
0.5154
0.4860
0.2219
0.3375
0.2158
0.3996
0.2800
0.4538
0.2251
0.3027

B-80

APPENDIX B

: tables of K-values

Table (B-57) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5828
1.6124
1.5812
1.6001
1.6274
1.4656
1.4865
1.4652
1.6400
1.5645
1.4312
1.5308
1.4292
1.4311
1.4544
1.4179
1.4059
1.3685
1.4787
1.3738
1.3637
1.3405
1.3320
1.3390
1.3858
1.3301
1.3137
1.3047
1.3000
1.2870
1.3856
1.2770
1.2418
1.3081
1.2247
1.2320
1.2609
1.2398
1.1725

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.7306
2.6995
0.7276
0.6637
0.6191
1.3538
0.9010
1.0547
3.0687
0.6509
1.4005
2.2752
1.1969
0.9207
0.7834
1.6208
1.0194
1.2019
2.3022
0.9173
1.3922
0.9496
1.0278
0.8008
1.8886
1.3298
1.2002
1.1139
0.9739
0.8799
2.0425
1.1476
0.8532
1.7439
0.9908
0.7086
1.6199
1.4665
1.2462

0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.3699
0.2068
0.3706
0.4271
0.4724
0.2371
0.2961
0.2667
0.2090
0.4315
0.2313
0.2013
0.2437
0.2844
0.3291
0.2175
0.2536
0.2443
0.2022
0.2768
0.2211
0.2714
0.2558
0.3083
0.2047
0.2212
0.2298
0.1919
0.2575
0.2847
0.2027
0.2326
0.3009
0.2035
0.2558
0.3857
0.2116
0.2120
0.2336

B-81

APPENDIX B

: tables of K-values

Table (B-58) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by using


PR-EOS for vapor phase and UNIFAC model for liquid phase at 101.3KPa.

T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438

3.5825
2.3138
2.4082
1.9168
3.3079
2.5279
3.4060
1.8956
1.9004
2.1512
2.2511
2.3950
2.0567
3.1380
2.5252
2.1336
1.8397
2.2207
2.9369
1.8643
2.0612
2.3481
1.8649
1.8745
2.1880
1.8174
2.8497
1.8118
2.0494
1.8906
2.2632
2.0067
2.6889
2.3661
1.9019
2.0478
1.9282
2.1207
2.1301
1.7546

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

0.8774
1.1232
1.0555
2.7610
0.8705
0.9958
0.8551
2.3932
2.1309
1.2104
1.0946
0.9871
1.2301
0.8151
0.9208
1.1350
1.4235
1.0453
0.8008
1.9657
1.2041
7.5729
1.7667
3.1612
6.3009
1.5738
0.7504
2.6336
4.9205
1.3170
0.8636
1.0564
0.7099
0.7909
1.1725
0.9606
1.0554
0.8719
5.9431
1.5947

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614

1.1976
0.5422
0.6025
0.2805
1.1482
0.6760
1.1075
0.2893
0.2993
0.4571
0.5187
0.6097
0.4332
1.0251
0.6928
0.4712
0.3767
0.5189
0.9802
0.2931
0.4138
0.2780
0.3065
0.2607
0.2639
0.3250
0.9407
0.2656
0.2587
0.3494
0.5865
0.4237
0.8231
0.6635
0.3765
0.4648
0.4093
0.5145
0.2479
0.2881

B-82

APPENDIX B

: tables of K-values

Table (B-58) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6374
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996

2.4185
2.0239
1.7576
1.7859
2.1316
1.7587
2.3116
2.2335
2.2136
1.8547
1.7567
2.1245
1.6980
2.1295
2.0486
1.7621
1.8343
1.6475
1.9887
1.7636
1.9952
1.7854
1.6237
1.6616
1.9440
1.7828
1.7954
1.6901
1.7981
1.6093
1.5931
1.8154
1.8243
1.7921
1.7682
1.5434
1.5882
1.7405
1.6213
1.4975
1.6467
1.4893
1.5089

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6924
5.0431
1.4496
2.9232
0.7397
1.2971
7.2753
0.6793
0.6702
3.6101
1.0964
5.9158
2.1494
0.6444
0.6756
0.9787
3.6937
1.4450
4.9124
3.2916
0.6313
0.8093
1.2418
2.4007
0.6395
0.7761
0.7233
2.8073
0.7062
1.0943
2.0144
0.6533
0.6265
0.6302
0.6454
1.8671
0.8213
3.6538
0.6981
1.0384
0.6335
1.6228
0.9152

0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427

0.7314
0.2398
0.2949
0.2424
0.5875
0.3068
0.2518
0.6550
0.6607
0.2150
0.3351
0.2401
0.2407
0.6372
0.5881
0.3561
0.2289
0.2724
0.2337
0.2242
0.6000
0.4058
0.2873
0.2281
0.5692
0.4202
0.4510
0.2181
0.4587
0.2988
0.2300
0.5125
0.5317
0.5449
0.5095
0.2231
0.3440
0.2165
0.4126
0.2834
0.4756
0.2266
0.3073

B-83

APPENDIX B

: tables of K-values

Table (B-58) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5763
1.6057
1.5747
1.5935
1.6207
1.4595
1.4804
1.4592
1.6332
1.5581
1.4253
1.5245
1.4233
1.4252
1.4484
1.4120
1.4001
1.3628
1.4725
1.3682
1.3581
1.3349
1.3265
1.3335
1.3801
1.3246
1.3083
1.2993
1.2946
1.2817
1.3799
1.2718
1.2366
1.3027
1.2196
1.2269
1.2557
1.2347
1.1677

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.7269
2.6857
0.7239
0.6603
0.6159
1.3469
0.8964
1.0493
3.0530
0.6476
1.3933
2.2636
1.1907
0.9160
0.7794
1.6125
1.0142
1.1958
2.2904
0.9126
1.3851
0.9447
1.0225
0.7967
1.8789
1.3230
1.1940
1.1082
0.9689
0.8754
2.0321
1.1417
0.8488
1.7350
0.9857
0.7050
1.6116
1.4590
1.2398

0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.3803
0.2077
0.3811
0.4450
0.5001
0.2390
0.3010
0.2699
0.2098
0.4516
0.2333
0.2024
0.2462
0.2890
0.3370
0.2191
0.2570
0.2470
0.2034
0.2816
0.2232
0.2760
0.2596
0.3162
0.2062
0.2236
0.2326
0.1948
0.2619
0.2911
0.2041
0.2359
0.3090
0.2054
0.2610
0.4046
0.2140
0.2147
0.2379

B-84

APPENDIX B

: tables of K-values

Table (B-59) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by


using PRSV-EOS with WS mixing rule based on GE from NRTL model at
101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438

3.5532
2.2948
2.3885
1.9011
3.2809
2.5072
3.3782
1.8801
1.8848
2.1336
2.2327
2.3754
2.0399
3.1124
2.5046
2.1162
1.8247
2.2026
2.9129
1.8490
2.0444
2.3289
1.8497
1.8592
2.1701
1.8026
2.8264
1.7970
2.0326
1.8752
2.2447
1.9903
2.6669
2.3468
1.8863
2.0310
1.9124
2.1034
2.1127
1.7403

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614

1.3751
0.5475
0.6116
0.2780
1.2983
0.6912
1.2365
0.2869
0.2969
0.4585
0.5231
0.6203
0.4338
1.1549
0.7123
0.4733
0.3755
0.5236
1.0900
0.2903
0.4137
0.2751
0.3038
0.2576
0.2608
0.3225
1.0810
0.2625
0.2555
0.3471
0.5983
0.4238
0.9130
0.6881
0.3748
0.4670
0.4087
0.5205
0.2442
0.2844

B-85

APPENDIX B

: tables of K-values

Table (B-59) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996

2.3987
2.0074
1.7432
1.7713
2.1142
1.7443
2.2927
2.2153
2.1955
1.8395
1.7423
2.1071
1.6841
2.1121
2.0319
1.7477
1.8193
1.6340
1.9724
1.7491
1.9789
1.7708
1.6104
1.6481
1.9281
1.7682
1.7807
1.6763
1.7834
1.5961
1.5801
1.8005
1.8093
1.7774
1.7538
1.5308
1.5752
1.7263
1.6081
1.4852
1.6332
1.4771
1.4966

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427

0.7894
0.2360
0.2911
0.2384
0.6058
0.3029
0.2477
0.6938
0.7048
0.2105
0.3314
0.2357
0.2361
0.6798
0.6127
0.3528
0.2244
0.2677
0.2291
0.2194
0.6354
0.4043
0.2822
0.2230
0.5950
0.4197
0.4533
0.2128
0.4621
0.2933
0.2245
0.5255
0.5509
0.5680
0.5229
0.2169
0.3382
0.2105
0.4109
0.2763
0.4834
0.2198
0.3002

B-86

APPENDIX B

: tables of K-values

Table (B-59) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5634
1.5926
1.5618
1.5805
1.6074
1.4476
1.4683
1.4473
1.6199
1.5453
1.4136
1.5120
1.4117
1.4135
1.4365
1.4005
1.3887
1.3517
1.4605
1.3570
1.3470
1.3240
1.3157
1.3226
1.3688
1.3137
1.2976
1.2887
1.2840
1.2712
1.3686
1.2614
1.2265
1.2920
1.2097
1.2169
1.2454
1.2246
1.1581

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.3756
0.2013
0.3765
0.4475
0.5151
0.2316
0.2930
0.2620
0.2033
0.4556
0.2256
0.1952
0.2380
0.2802
0.3291
0.2111
0.2475
0.2382
0.1956
0.2716
0.2140
0.2657
0.2493
0.3055
0.1972
0.2135
0.2220
0.1809
0.2503
0.2793
0.1948
0.2241
0.2967
0.1945
0.2472
0.4002
0.2018
0.2017
0.2223

B-87

APPENDIX B

: tables of K-values

Table (B-60) K-values of ternary system MTBE(1)+Ethanol(2)+Octane(3) by using


PRSV-EOS with WS mixing rule based on GE from UNIQUAC model at
101.3KPa.
T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

347.81
348.49
348.16
350.94
347.49
347.82
347.49
350.35
349.86
348.15
347.61
346.75
347.77
345.64
346.20
347.29
348.14
346.78
345.02
348.62
347.06
356.69
348.08
350.14
354.38
347.48
343.54
349.18
352.51
346.17
344.04
345.08
341.96
343.03
345.35
344.25
344.49
343.29
352.69
345.66

3.5604
2.2995
2.3934
1.9050
3.2876
2.5123
3.3851
1.8839
1.8887
2.1380
2.2373
2.3802
2.0440
3.1187
2.5097
2.1205
1.8284
2.2071
2.9188
1.8528
2.0485
2.3337
1.8535
1.8630
2.1745
1.8063
2.8322
1.8007
2.0368
1.8790
2.2493
1.9944
2.6723
2.3516
1.8902
2.0352
1.9163
2.1077
2.1170
1.7438

3.5970
2.3231
2.4180
1.9245
3.3213
2.5381
3.4198
1.9033
1.9081
2.1599
2.2603
2.4047
2.0650
3.1508
2.5355
2.1423
1.8472
2.2297
2.9488
1.8718
2.0696
2.3576
1.8725
1.8821
2.1969
1.8248
2.8613
1.8192
2.0577
1.8983
2.2724
2.0148
2.6998
2.3757
1.9096
2.0561
1.9360
2.1293
2.1387
1.7617

0.8703
1.1141
1.0469
2.7386
0.8634
0.9877
0.8482
2.3738
2.1136
1.2006
1.0857
0.9791
1.2201
0.8085
0.9133
1.1258
1.4119
1.0368
0.7943
1.9498
1.1944
7.5113
1.7524
3.1355
6.2497
1.5610
0.7443
2.6122
4.8805
1.3063
0.8566
1.0478
0.7041
0.7845
1.1630
0.9528
1.0468
0.8648
5.8949
1.5817

0.8677
1.1107
1.0437
2.7302
0.8608
0.9847
0.8456
2.3665
2.1071
1.1969
1.0824
0.9761
1.2164
0.8060
0.9106
1.1224
1.4076
1.0336
0.7918
1.9438
1.1907
7.4884
1.7470
3.1260
6.2307
1.5562
0.7420
2.6043
4.8657
1.3023
0.8539
1.0446
0.7019
0.7821
1.1594
0.9499
1.0436
0.8622
5.8769
1.5769

1.4667
0.5258
0.5889
0.2644
1.3577
0.6684
1.2734
0.2724
0.2816
0.4366
0.4987
0.5932
0.4113
1.1692
0.6836
0.4487
0.3554
0.4962
1.0846
0.2730
0.3893
0.2628
0.2853
0.2428
0.2478
0.3022
1.0593
0.2464
0.2416
0.3228
0.5564
0.3925
0.8392
0.6355
0.3468
0.4305
0.3763
0.4764
0.2287
0.2614

1.3690
0.5588
0.6233
0.2844
1.2946
0.7031
1.2337
0.2935
0.3038
0.4683
0.5332
0.6305
0.4428
1.1455
0.7216
0.4826
0.3835
0.5328
1.0804
0.2966
0.4219
0.2787
0.3102
0.2625
0.2645
0.3291
1.0534
0.2674
0.2593
0.3534
0.6033
0.4302
0.8902
0.6887
0.3809
0.4727
0.4144
0.5246
0.2464
0.2890

B-88

APPENDIX B

: tables of K-values

Table (B-60) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

340.76
350.98
344.96
347.54
340.74
344.09
354.14
339.76
339.45
347.91
342.78
351.77
345.17
338.43
338.86
341.71
348.10
343.30
349.83
346.41
337.46
339.74
342.07
344.61
337.43
339.17
338.30
345.05
338.03
340.86
343.19
336.96
336.40
336.28
336.41
342.00
337.86
345.64
336.37
338.84
335.33
340.65
337.97

2.4036
2.0115
1.7467
1.7749
2.1185
1.7478
2.2974
2.2198
2.2000
1.8433
1.7459
2.1114
1.6876
2.1164
2.0360
1.7513
1.8230
1.6373
1.9764
1.7527
1.9829
1.7744
1.6137
1.6514
1.9320
1.7718
1.7843
1.6797
1.7870
1.5994
1.5833
1.8042
1.8130
1.7810
1.7573
1.5339
1.5784
1.7298
1.6113
1.4883
1.6366
1.4802
1.4996

2.4283
2.0321
1.7647
1.7932
2.1403
1.7658
2.3210
2.2426
2.2226
1.8622
1.7638
2.1331
1.7049
2.1381
2.0569
1.7693
1.8417
1.6542
1.9967
1.7707
2.0033
1.7926
1.6303
1.6684
1.9518
1.7900
1.8027
1.6970
1.8054
1.6158
1.5995
1.8227
1.8316
1.7993
1.7754
1.5497
1.5946
1.7476
1.6279
1.5035
1.6534
1.4954
1.5150

0.6868
5.0022
1.4379
2.8995
0.7337
1.2866
7.2162
0.6738
0.6648
3.5807
1.0875
5.8678
2.1319
0.6391
0.6701
0.9707
3.6637
1.4333
4.8725
3.2649
0.6262
0.8027
1.2317
2.3812
0.6343
0.7698
0.7174
2.7845
0.7004
1.0854
1.9980
0.6480
0.6214
0.6250
0.6402
1.8520
0.8146
3.6241
0.6924
1.0300
0.6283
1.6096
0.9078

0.6847
4.9869
1.4335
2.8907
0.7315
1.2827
7.1942
0.6717
0.6628
3.5698
1.0842
5.8499
2.1254
0.6372
0.6681
0.9677
3.6525
1.4289
4.8576
3.2549
0.6243
0.8002
1.2279
2.3739
0.6324
0.7675
0.7152
2.7760
0.6983
1.0821
1.9919
0.6460
0.6195
0.6231
0.6382
1.8463
0.8122
3.6130
0.6903
1.0269
0.6264
1.6047
0.9050

0.6972
0.2195
0.2659
0.2201
0.5327
0.2746
0.2311
0.5909
0.5901
0.1915
0.2965
0.2179
0.2140
0.5434
0.5057
0.3109
0.2048
0.2393
0.2100
0.1984
0.4826
0.3431
0.2488
0.1999
0.4544
0.3514
0.3692
0.1898
0.3709
0.2537
0.1983
0.3980
0.3950
0.4054
0.3838
0.1876
0.2716
0.1857
0.3066
0.2284
0.3318
0.1864
0.2427

0.7703
0.2381
0.2955
0.2415
0.6010
0.3070
0.2483
0.6765
0.6835
0.2127
0.3347
0.2362
0.2388
0.6522
0.5970
0.3549
0.2257
0.2703
0.2294
0.2205
0.6049
0.4026
0.2841
0.2245
0.5698
0.4162
0.4459
0.2136
0.4529
0.2941
0.2255
0.5057
0.5228
0.5368
0.4998
0.2171
0.3338
0.2088
0.3980
0.2746
0.4566
0.2192
0.2968

B-89

APPENDIX B

: tables of K-values

Table (B-60) continued.


T/K

K1 lit.

K1cal.

K2 lit

K2cal.

K3 lit

K3cal.

336.39
342.93
336.32
335.31
334.68
339.48
337.31
338.14
343.46
334.78
339.05
341.20
338.26
336.71
335.67
338.97
336.79
337.30
340.30
335.72
337.44
335.55
335.76
334.15
338.23
336.59
335.93
333.64
334.68
334.11
338.09
334.99
333.07
336.36
333.35
330.45
335.19
334.53
332.74

1.5666
1.5958
1.5650
1.5837
1.6107
1.4506
1.4713
1.4502
1.6232
1.5485
1.4165
1.5151
1.4145
1.4164
1.4395
1.4033
1.3915
1.3544
1.4635
1.3598
1.3497
1.3267
1.3184
1.3253
1.3716
1.3164
1.3003
1.2913
1.2866
1.2738
1.3714
1.2640
1.2290
1.2946
1.2121
1.2194
1.2479
1.2271
1.1605

1.5827
1.6122
1.5810
1.5999
1.6272
1.4655
1.4864
1.4651
1.6399
1.5644
1.4310
1.5307
1.4291
1.4309
1.4543
1.4177
1.4058
1.3683
1.4785
1.3737
1.3636
1.3403
1.3319
1.3389
1.3857
1.3299
1.3136
1.3045
1.2998
1.2869
1.3855
1.2769
1.2416
1.3079
1.2246
1.2319
1.2608
1.2397
1.1724

0.7210
2.6639
0.7180
0.6549
0.6109
1.3359
0.8891
1.0408
3.0282
0.6423
1.3820
2.2452
1.1811
0.9086
0.7731
1.5994
1.0060
1.1861
2.2718
0.9052
1.3738
0.9370
1.0142
0.7902
1.8636
1.3122
1.1843
1.0992
0.9611
0.8683
2.0156
1.1325
0.8420
1.7209
0.9777
0.6993
1.5985
1.4471
1.2298

0.7188
2.6558
0.7158
0.6529
0.6091
1.3319
0.8864
1.0376
3.0189
0.6404
1.3778
2.2384
1.1775
0.9058
0.7707
1.5946
1.0029
1.1825
2.2649
0.9025
1.3696
0.9342
1.0111
0.7878
1.8580
1.3082
1.1807
1.0958
0.9581
0.8656
2.0094
1.1290
0.8394
1.7157
0.9748
0.6971
1.5937
1.4427
1.2260

0.2820
0.1738
0.2822
0.3128
0.3224
0.1927
0.2309
0.2121
0.1756
0.3012
0.1857
0.1638
0.1922
0.2162
0.2412
0.1725
0.1901
0.1886
0.1611
0.2011
0.1678
0.1953
0.1851
0.2051
0.1559
0.1623
0.1649
0.1112
0.1760
0.1878
0.1525
0.1591
0.1863
0.1431
0.1573
0.1968
0.1422
0.1367
0.1328

0.3652
0.2000
0.3658
0.4260
0.4769
0.2303
0.2886
0.2594
0.2010
0.4287
0.2238
0.1932
0.2353
0.2747
0.3189
0.2083
0.2427
0.2343
0.1920
0.2642
0.2097
0.2577
0.2425
0.2912
0.1922
0.2080
0.2155
0.1746
0.2408
0.2662
0.1887
0.2157
0.2781
0.1864
0.2331
0.3543
0.1912
0.1905
0.2051

B-90

Appendix C : CALCULATED RESYLTS

APPENDIX C

CALCULATED RESULTS
Table(C-1) m and n factors for SRK and PR equation of state
SRK EOS
m
n

compound

PR EOS
m
n

MTBE

0.6207

0.2285

0.6671

0.4112

Ethanol

0.7446

0.3125

1.1505

0.8077

2-methyl-2-propanol

0.6943

0.6958

0.7939

0.5723

Octane

0.5563

0.2476

0.7563

0.3114

Table(C-2) optimized interaction parameters for binary systems for


modify PR-EOS &SRK-EOS.

Ethanol+2-methyl-2propanol
MTBE+Ethanol
MTBE+Octane

Modify PR EOS

No. of data
point

Binary system

Modify

k 12

h 12

ka 12

ka 21

kb 12

kb 21

30

0.0237

0.2132

-0.1431

-0.1040

-0.0512

-0.1598

22

0.0175

0.1822

-0.2462

-0.1695

-0.0213

-0.0851

19

0.1102

0.4252

-0.3116

-0.2201

-0.2456

-0.0268

SRK EOS

C-1

Appendix C : CALCULATED RESYLTS

Table(C-3) optimized interaction parameters for ternary systems for


modify PR-EOS &SRK-EOS .

Modify PR -EOS

SRK-EOS

Modify

Ternary systems

k 12
k 13
k 23
h 12
h 13
h 23
ka 12
ka 21
ka 13
ka 31
ka 23
ka 32
kb 12
kb 21
kb 13
kb 31
kb 23
kb 32

No. of data point

System (I)

System(II)

System(III)

MTBE+Ethanol+2-methyl-

Ethanol+2-methyl-2-

MTBE+Ethanol+Octane

2-propanol

propanol+Octane

0.0231
0.1115
0.0182
0.2243
0.6076
0.1857
-0.1398
-0.1128
-0.3181
-0.2304
-0.2397
-0.1864
-0.0565
-0.1705
-0.2195
-0.0289
-0.0228
-0.0912
88

0.0143
0.0153
0.0175
-0.2483
-0.1573
-0.1071
-0.3601
-0.2121
-0.2914
-0.1926
-0.1718
-0.2682
-0.0316
-0.2238
-0.5198
-0.1734
-0.2118
-0.0845
88

C-2

0.0229
0.1093
0.0177
0.2157
0.5974
0.1955
-0.1427
-0.1035
-0.3059
-0.2174
-0.2471
-0.1726
-0.0523
-0.1672
-0.2386
-0.0273
-0.0211
-0.0844
122

Appendix C : CALCULATED RESYLTS

Table(C- 4): NRTL parameters (g ij (J mol-1)) and ( ij ) for the binary systems
at 101.3KPa.
g 11

g 22

g 12

12

Ethanol+2-methyl-2-propanol

1745.000

14.885

5465.000

0.290

MTBE+Ethanol

1188.000

961.639

5598.000

0.206

MTBE+Octane

1878.000

76.276

5401.000

0.261

BINARY SYSTEMS

Table(C-5): NRTL parameters (g ij (J mol-1)) and ( ij ) for the ternary systems


at 101.3KPa.
Ternary

g 11

g 22

g 33

g 12

g 13

g 23

12

13

23

1076.000

810.669

1878.000

5607.000

8824.000

9699.000

0.462

0.412

0.401

1077.000

1117.000

4676.000

5547.000

7220.000

5026.000

0.367

0.332

0.345

776.118

189.003

3075.000

5604.000

7895.000

6176.000

0.466

0.402

0.336

systems
MTBE+Ethanol+2methyl-2-propanol
Ethanol+2-methyl-2propanol+Octane
MTBE+ethanol+Octane

Table(C-6): UNIQUAC parameters (u ij (J.mol-1)) for the binary


systems at 101.3KPa.
Binary systems
u 11
u 22
u 12
u 21
R

Ethanol+2-methyl-2-propanol
MTBE+Ethanol
MTBE+Octane

579.172

2249.000

2691.000

3481.000

866.000

912.999

5477.000

2092.000

1085.000

1143.000

5971.000

2738.000

C-3

Appendix C : CALCULATED RESYLTS

Table(C-7): UNIQUAC parameters (u ij (J.mol-1)) for the ternary


systems at 101.3KPa.
Ternary systems
MTBE+Ethanol+2-methyl-2-propanol
Ethanol+2-methyl-2-propanol+Octane
MTBE+Ethanol+Octane

u 11

u 22

u 33

u 12

u 13

u 23

897.569

1214.000

259.684

2842.000

1957.000

1480.000

1294.000

1741.000

4654.000

3571.000

1855.000

1423.000

1718.000

1765.000

938.861

2632.000

2746.000

2167.000

Table (C-8) The R i and Q i values for the UNIFAC groups and the r i
and q i for the UNIQUAC compounds
UNIFAC model
Group R i
0.9011
CH 3
0.6744
CH 2
0.2195
C
1.0000
OH
1.1450
CH 3 O

Qi
0.848
0.540
0.000
1.200
1.088

UNIQUAC model
component
MTBE
Ethanol
2-methyl-2-propanol
Octane

ri
4.0678
2.5755
3.9228
5.847

qi
3.632
2.588
3.744
4.936

Table(C-9) UNIFAC Group-Group interaction parameters, a mn in


Kelvin
Group

CH 3
CH 2
C
OH
CH 3 O

CH 3
CH 2
C
0.0

OH

CH 3 O

986.50

251.50

156.40

0.00

28.06

83.36

237.70

0.00

C-4

Appendix C : CALCULATED RESYLTS

Table (C-10): adjustable parameters value when applying WS


mixing rule with UNIQUAC model on PRSV-EOS to binary systems
at101.3KPa
Binary Systems
No. of Temp.(K) k ij
C
data
R

Ethanol+2-methyl-2-propanol

30

351-356

0.375

-0.431

MTBE +ethanol

22

328-352

0.421

-0.501

MTBE +octane

19

328-399

0.256

-0.322

Table (C-11): adjustable parameters value when applying WS


mixing rule with UNIQUAC model on PRSV-EOS to ternary
systems at101.3KPa
Ternary systems No. of Temp.(K) C
k 12
k 13
k 23
data
R

MTBE+ethanol+288
methyl-2-propanol
Ethanol+2-methyl-288
propanol+octane
MTBE+ethanol+octane 122

328-351

-0.411 0.455

0.467

0.301

350-360

-0.624 0.333

0.587

0.516

332-351

-0.650 0.394

0.369

0.521

Table (C-12): adjustable parameters value when applying WS


mixing rule with NRTL model on PRSV-EOS to binary systems
at101.3KPa
Binary Systems
No. of Temp.(K) k ij
C
data
R

Ethanol+2-methyl-2-propanol

30

351-356

0.364

-0.401

MTBE +ethanol

22

328-352

0.401

-0.498

MTBE +octane

19

328-399

0.259

-0.276

C-5

Appendix C : CALCULATED RESYLTS

Table (C-13) adjustable parameters value when applying WS mixing


rule with NRTL model on PRSV-EOS to ternary systems
at101.3KPa
Ternary systems No. of Temp.(K) C
k 12
k 13
k 23
data
R

MTBE+ethanol+288
methyl-2-propanol
Ethanol+2-methyl-288
propanol+octane
MTBE+ethanol+octane 122

328-351

-0.476 0.479

0.505

0.301

350-360

-0.562 0.301

0.622

0.570

332-351

-0.651 0.479

0.248

0.622

Table (C-14 )Antoine equation constants of the components


material
MTBE
Ethanol
2-methyl-2-propanol
Octane

A
6.120 19
7.242 22
6.352 72
6.043 94

B
1190.420
1595.811
1105.198
1351.938

C
-39.040
-46.702
-101.256
-64.030

Where:

log P s = A B
C +T

, Ps in KPa, T in K [6].
P

(C.1)

Table (C.15): Physical properties of pure components [6].


material

T c ,K

P c ,bar

V c ,cm3
/mol

MTBE
Ethanol
2-methyl-2-propanol
octane

500.60
513.92
506.21
568.70

32.50
61.48
39.73
24.90

339.00
167.00
275.00
492.00

C-6

0.328
0.649
0.613
0.399

Appendix C : CALCULATED RESYLTS

C-7

Appendix D : Computer Program

Appendix D
COMPUTER PROGRAM
D.1 Finding the Roots of a Polynomial
This algorithm shows how to use MATHCAD polyroots function to find all
the roots of a polynomial.
The compressibility factor polynomial for Soave equation of state is given by
equation D.1:
Z3 (1-B) Z2 + (A-B2-B) Z AB = 0
P

(D-1)

A vector of the coefficients, beginning with the constant term

2
A B B

(1 B )

1
AB

r := polyroots(V) Returns all roots at once.

For example, if A = 0.044 and B = 0.004296, Then:


0.005525

r = 0.036

0.954

D-1

Appendix D : Computer Program

0 .2

0 .4
0

0 .2

0 .4

0 .6

0 .8

x, r
j

co mp ress ib ilit y f act o r p o ly n o m ial


R o ot s o f p o ly n o m ial

Figure D-1 The roots of Soave equation of state.

D.2 Optimization Technique for Parameters Estimation


MATLAB m-file for the Maximum Likelihood principle optimization
technique.

D-2

Appendix D : Computer Program

D-3

Appendix D : Computer Program

D-4

Appendix D : Computer Program

D-5

Appendix D : Computer Program

D.3 NRTL activity coefficient model program: This MathCAD


document contains NRTL equations for calculating activity coefficients.
mol
R
b 12

mole
1.987 .

cal
mol . K

631.05 .

cal

mole
cal
b 21 1197.41 .
mole
0.5343
b 12
12( T )
R. T
b 21
21( T )
R. T
G 12( T ) exp . 12( T )
G 21( T ) exp . 21( T )

Activity Coefficient Equations

D-6

Appendix D : Computer Program

1 x 1, x 2, T

2 x 1, x 2, T

2.

exp x 2

21( T ) .

2
exp x 1 . 12( T ) .

x1

x 2 . G 21( T )

x2

x 1 . G 12( T )

G 21( T ) . 21( T )

G 12( T )
x2

G 12( T ) . 12( T )

G 21( T )

x 1 . G 12( T )

x1

x 2 . G 21( T )

ln1 is the same as ln(1)


ln 1 x 1 , x 2 , T

ln 2 x 1 , x 2 , T

2.

x2

21( T ) .

2
x 1 . 12( T ) .

G 21( T )
x1

x 2 . G 21( T )
G 12( T )

x2

G 12( T ) . 12( T )

x2

G 21( T ) . 21( T )

x 1 . G 12( T )

Excess Gibb's Energy (GE/RT)


G 21( T ) . 21( T )
GERT x 1 , x 2 , T
x 1 . x 2 . R. T .
x 1 x 2 . G 21( T )

x 1 . G 12( T )

x1

x 2 . G 21( T )

G 12( T ) . 12( T )
x 2 x 1 . G 12( T )

D.4 BASIC program for UNIFAC model


1000 '***************************************************************
1020 '*
1040 '*
1060 '*

UNIFACR.BAS

VAPOR-LIQUID ACTIVITY COEFFICIENTS ESTIMATED BY THE


UNIFAC GROUP CONTRIBUTION METHOD

1080 '***************************************************************
1090 CLS: Key OFF: Screen 0, 1
1100 Print Tab(12); "***********************************************************"
1110 Print Tab(12); "* VAPOR-LIQUID ACTIVITY COEFFICIENTS ESTIMATED BY THE *"
1120 Print Tab(12); "*

UNIFAC GROUP CONTRIBUTION METHOD

*"

1130 Print Tab(12); "* DEPT. OF CHEMICAL ENGINEERING *"


1140 Print Tab(12); "*

UNIVERSITY OF TECNOLOGY , IRAQ*"

1200 Print Tab(12); "***********************************************************"

D-7

Appendix D : Computer Program

1210 Print: Print: Print "Loading data....."


1220 DefInt I-K, M-N
1230 Option Base 1
1235 IKYFLG = 0
1240 Dim IARM(100), ANM(100), ANMX(100), LGC(10), LNG(10, 10), LNGM(100), ILS(10), G(10)
1250 Dim A(44, 44), R(85), Q(85), N1(85), N2(85), IAR(10, 10), AN(10, 10), P(21), XX(21)
1260 Dim N2$(85), N1$(85), C$(10), X(10), R1(10), Q1(10), TH(10), PH(10), L(10), L2(10)
1270 Dim CTH(10, 10), CTHM(100), D2(20), LG(10), Y(100), GAM(2, 21), YY(2, 21), PVAP(2)
1280 Dim H$(17), AA(2), BB(2), CC(2), AMS1(100), AMS2(100), UMW(85)
1290 OPEN "I", #1, "UFNRQM.DTA"
1300 For I = 1 To 85
1310 Input #1, N1$(I), N1(I), N2$(I), N2(I), R(I), Q(I), UMW(I)
1320 Next I
1330 Close #1
1340 OPEN "I", #1, "UNFA44.DTA"
1350 For I = 1 To 44
1360 For JJ = 1 To 11
1370 J = 1 + 4 * (JJ - 1)
1380 Input #1, A(I, J), A(I, J + 1), A(I, J + 2), A(I, J + 3)
1390 Next JJ
1400 Next I
1410 Close #1
1420 Print "Press UP cursor key on your keyboard"
1426 UP$ = INKEY$
1427 If UP$ = "" Then GoTo 1426
1428 Print "Press DOWN cursor on your keyboard"
1429 DOWN$ = INKEY$
1430 If DOWN$ = "" Then GoTo 1429
1431 Print "Press LEFT cursor on your keyboard"
1432 LFT$ = INKEY$
1433 If LFT$ = "" Then GoTo 1432
1434 Print "Press RIGHT cursor on your keyboard"
1435 RGHT$ = INKEY$
1436 If RGHT$ = "" Then GoTo 1435
1440 GoTo 1710

D-8

Appendix D : Computer Program

1450 Print "Select next function key."


1460 Key 1, "Cmpnts"
1470 Key 2, " Conc "
1480 Key 3, " Temp "
1490 Key 9, ""
1500 Key 10, " EXIT "
1510 KEY(1) ON: KEY(2) ON: KEY(3) ON: KEY(10) ON
1520 If (ITEMP + ICONC) = 2 Then Key 4, "Coeffs"
1530 IF (ITEMP + ICONC) = 2 THEN KEY(4) ON
1540 If IMX > 2 Then GoTo 1590
1550 IF ITEMP = 1 THEN KEY 5, "Gm Lst": IF ITEMP = 1 THEN KEY(5) ON
1560 IF ILST = 1 THEN KEY 6, "xy Lst": IF ILST = 1 THEN KEY(6) ON
1570 IF ILST1 = 1 THEN KEY 7, "xy Gph": IF ILST1 = 1 THEN KEY(7) ON
1580 KEY 8, "AntCon": KEY(8) ON
1590 KEY ON
1600 If IMX > 2 Then GoTo 1610
1610 On Key(1) GoSub 1710
1620 On Key(2) GoSub 2180
1630 On Key(3) GoSub 2480
1640 On Key(4) GoSub 2570
1650 On Key(10) GoSub 3830
1660 On Key(5) GoSub 4580
1670 On Key(6) GoSub 4770
1680 On Key(7) GoSub 5010
1690 On Key(8) GoSub 5450
1700 GoTo 1700
1710 'COMP>
1720 CLS: Key OFF: GoSub 4560: ILST = 0: ILST1 = 0: ICONC = 0: IRTRN = 0: IPVAP = 0
1730 ITEMP = 0: IAPFLG = 0
1740 For I = 1 To 10: For J = 1 To 10: IAR(I, J) = 0: AN(I, J) = 0
1750 Next J: Next I
1760 Print "ENTER COMPONENT INFORMATION (10 components, 10 groups each maximum)"
1770 I = 0
1780 I = I + 1: If I = 11 Then GoTo 1880
1790 Print: Print "Type name of COMP"; I; "(12 Characters Max.) and press ENTER key "

D-9

Appendix D : Computer Program

1795 Print "or press only the ENTER key to end entry of components."
1800 INPUT C$(I)
1810 If C$(I) = "" Then IMX = I - 1: If C$(I) = "" Then GoTo 1880
1820 GoSub 4070
1830 If ILS(I) < 11 Then GoTo 1780
1840 CLS: BEEP: BEEP
1850 Print "SORRY. PROGRAM DIMENSIONS ONLY ALLOW 10 DIFFERENT SUBGROUPS PER
MOLECULE."
1860 BEEP: Print "PRESS ANY KEY TO CONTINUE."
1870 If INKEY$ <> "" Then GoTo 1820 Else GoTo 1870
1880 CLS
1890 FOR I = 1 TO 4: KEY(I + 10) OFF: NEXT I
1900 CLS: Print: Print Tab(20); "UNIFAC ESTIMATION OF ACTIVITY COEFFICIENTS"
1910 Print Tab(20); "==========================================": Print
1920 Print Tab(34); "COMPONENT DATA"
1930 Print Tab(34); "--------------"
1940 Print Tab(48); "Molecular Subgroups"
1950 Print Tab(42); "--------------------------------"
1960 Print Tab(9); "Component No.

Name

1970 Print Tab(9); "------------- -----------1980 L1$ = "

##

1990 L2$ = "

------ ----------- ---------"

##
##

Number Description Frequency"

\
\

\
\

###"
###"

2000 For I = 1 To IMX: JMX = ILS(I)


2010 Print USING; L1$; I; C$(I); IAR(I, 1); N2$(IAR(I, 1)); AN(I, 1)
2020 If JMX = 1 Then GoTo 2060
2030 For J = 2 To JMX
2040 Print USING; L2$; IAR(I, J); N2$(IAR(I, J)); AN(I, J)
2050 Next J
2060 Print
2070 X(I) = 1 / IMX
2080 TK = 300 'JUST TO CALL UNIFAC SUBROUTINE WITHOUT DIVIDE BY ZERO
2090 Next I
2100 Print: Print "Press any key to continue."
2110 If INKEY$ = "" Then GoTo 2110
2120 Print: Print "Checking for availability of interaction parameters."

D-10

Appendix D : Computer Program

2130 Print "This may take several seconds if many groups are present."
2140 IRTRN = 2
2150 GoSub 3870
2160 GoTo 2630
2170 RETURN 1450
2180 'CONC>
2190 ICONC = 1
2200 For IQ = 1 To 10: NNSE$ = INKEY$: Next IQ
2210 CLS: Print "ENTER COMPONENT CONCENTRATIONS": Print
2220 GoSub 4560
2230 Print "Enter component concentrations in MOLE FRACTION beginning with Comp. 1"
2240 Print "^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^"
2250 SUMX = 0: For I = 1 To 10: X(I) = 0: Next I
2260 For I = 1 To IMX
2270 PRINT : PRINT "Mole Fraction of Component"; I; "- " + C$(I): INPUT X(I)
2280 If X(I) > 1 Then Print "!!! INPUT ERROR !!!": GoTo 2270
2290 If X(I) < 0 Then Print "!!! INPUT ERROR !!!": GoTo 2270
2295 If X(I) = 0 Then X(I) = 0.0000001
2300 SUMX = SUMX + X(I): Next I
2310 If SUMX < 0.999999 Then GoTo 2340
2320 If SUMX > 1.000001 Then GoTo 2340
2330 GoTo 2350
2340 Print "MOLE FRACTIONS DO NOT SUM TO 1, BEING NORMALIZED"
2350 For I = 1 To IMX: X(I) = X(I) / SUMX: Next I
2390 Print: Print: Print Tab(30); "COMPONENT CONCENTRATIONS": Print Tab(30); "------------------------"
2400 Print Tab(22); "No

Name

2410 Print Tab(22); "--

------------

2420 L1$ = "

##

Mole Fraction"
-------------"
\

#.#####"

2430 For I = 1 To IMX


2440 Print USING; L1$; I; C$(I); X(I)
2450 Next I
2460 GoSub 3870
2470 RETURN 1450
2480 'TEMP>
2490 GoSub 4560

D-11

Appendix D : Computer Program

2500 For IQ = 1 To 10: NNSE$ = INKEY$: Next IQ


2510 CLS: ITEMP = 1: Print "ENTER TEMPERATURE": Print
2520 ILST = 0: ILST1 = 0: IPVAP = 0
2530 PRINT "Enter temperature in Deg C."; : INPUT TC
2540 Print: Print "Temperature = "; TC; " deg C"
2550 TK = TC + 273.15
2560 RETURN 1450
2570 'COEFF>
2580 GoSub 4560
2590 For IQ = 1 To 10: NNSE$ = INKEY$: Next IQ
2600 ' UNIFAC CALCULATION
2610 ' COMBINATORIAL
2620 IRTRN = 0
2630 R2 = 0: Q2 = 0
2640 For I = 1 To IMX
2650 R1(I) = 0: Q1(I) = 0
2660 For J = 1 To ILS(I)
2670 R1(I) = R1(I) + R(IAR(I, J)) * AN(I, J)
2680 Q1(I) = Q1(I) + Q(IAR(I, J)) * AN(I, J)
2690 Next J
2700 R2 = R2 + X(I) * R1(I)
2710 Q2 = Q2 + X(I) * Q1(I)
2720 Next I
2730 L1 = 0
2740 For I = 1 To IMX
2750 PH(I) = R1(I) * X(I) / R2
2760 TH(I) = Q1(I) * X(I) / Q2
2770 L(I) = 5 * (R1(I) - Q1(I)) - (R1(I) - 1)
2780 L1 = L1 + X(I) * L(I)
2790 Next I
2800 For I = 1 To IMX
2810 LGC(I) = Log(PH(I) / X(I)) + 5 * Q1(I) * Log(TH(I) / PH(I)) + L(I) - (PH(I) / X(I)) * L1
2820 Next I
2830 ' RESIDUAL
2840 For I = 1 To IMX

D-12

Appendix D : Computer Program

2850 SUMQ = 0
2860 For J = 1 To ILS(I)
2870 D2(J) = AN(I, J) * Q(IAR(I, J))
2880 SUMQ = SUMQ + D2(J)
2890 Next J
2900 For J = 1 To ILS(I)
2910 CTH(I, J) = D2(J) / SUMQ
2920 Next J
2930 Next I
2940 SUMQ = 0
2950 For K = 1 To KMAX
2960 D2(K) = ANMX(K) * Q(IARM(K))
2970 SUMQ = SUMQ + D2(K)
2980 Next K
2990 For K = 1 To KMAX
3000 CTHM(K) = D2(K) / SUMQ
3010 Next K
3020 'GAMMA RESIDUAL FOR EACH GROUP IN EACH MOLECULE
3030 IAFLG = 0
3040 For I = 1 To IMX
3050 For K = 1 To ILS(I)
3060 KK = N1(IAR(I, K))
3070 SUM1 = 0: SUM2 = 0
3080 For M = 1 To ILS(I)
3090 MM = N1(IAR(I, M))
3100 SUM3 = 0
3110 For N = 1 To ILS(I)
3120 NN = N1(IAR(I, N))
3130 SUM3 = SUM3 + CTH(I, N) * Exp(-A(NN, MM) / TK)
3140 Next N
3150 SUM2 = SUM2 + CTH(I, M) * (Exp(-A(KK, MM) / TK)) / SUM3
3160 SUM1 = SUM1 + CTH(I, M) * Exp(-A(MM, KK) / TK)
3170 Next M
3180 LNG(I, K) = Q(IAR(I, K)) * (1 - Log(SUM1) - SUM2)
3190 Next K

D-13

Appendix D : Computer Program

3200 Next I
3210 'GAMMA RESIDUAL FOR EACH GROUP IN MIXTURE
3220 For K = 1 To KMAX
3230 SUM1 = 0: SUM2 = 0
3240 KK = N1(IARM(K))
3250 For M = 1 To KMAX
3260 MM = N1(IARM(M))
3270 SUM3 = 0
3280 For N = 1 To KMAX
3290 NN = N1(IARM(N))
3300 SUM3 = SUM3 + CTHM(N) * Exp(-A(NN, MM) / TK)
3310 Next N
3320 SUM2 = SUM2 + CTHM(M) * (Exp(-A(KK, MM) / TK)) / SUM3
3330 If MM = KK Then GoTo 3380
3340 If A(MM, KK) <> 0 Then GoTo 3380
3341 If MM = 7 And KK = 31 Then GoTo 3380
3342 If MM = 31 And KK = 7 Then GoTo 3380
3343 If MM = 22 And KK = 23 Then GoTo 3380
3344 If MM = 23 And KK = 22 Then GoTo 3380
3350 If IAPFLG = 1 Then GoTo 3380
3360 IAFLG = IAFLG + 1
3370 AMS1(IAFLG) = N2(IARM(M)): AMS2(IAFLG) = N2(IARM(K))
3380 SUM1 = SUM1 + CTHM(M) * Exp(-A(MM, KK) / TK)
3390 Next M
3400 LNGM(K) = Q(IARM(K)) * (1 - Log(SUM1) - SUM2)
3410 Next K
3420 'GAMMA RESIDUAL FOR EACH MOLECULE
3430 For I = 1 To IMX
3440 Sum = 0
3450 For J = 1 To ILS(I)
3460 For K = 1 To KMAX
3470 If IARM(K) = IAR(I, J) Then GoTo 3490
3480 Next K
3490 Sum = Sum + AN(I, J) * (LNGM(K) - LNG(I, J))
3500 Next J

D-14

Appendix D : Computer Program

3510 LG(I) = Sum + LGC(I)


3520 G(I) = Exp(LG(I))
3530 Next I
3540 If IAPFLG > 0 Then GoTo 3690
3550 IAPFLG = 1
3560 If IAFLG > 0 Then GoTo 3590
3570 Print: Print "All interaction parameters are available."
3580 GoTo 3690
3590 CLS: Print "Interaction parameters unavailable (and set to zero) for the"
3600 Print "following pairs of groups:": Print
3610 For IAFLAG = 1 To IAFLG
3620 If AMS1(IAFLAG) < AMS2(IAFLAG) Then GoTo 3640
3630 Print "

", N2$(AMS1(IAFLAG)), " with ", N2$(AMS2(IAFLAG))

3640 Next IAFLAG


3650 Print: Print "Press any key to continue":
3660 For IQ = 1 To 10: NNSE$ = INKEY$: Next IQ
3670 If INKEY$ = "" Then GoTo 3670
3680 CLS
3690 If IRTRN = 1 Then GoTo 4700
3700 If IRTRN = 2 Then GoTo 2170
3710 CLS
3720 Print: Print: Print Tab(27); "COMPONENT ACTIVITY COEFFICIENTS"
3730 Print Tab(27); "-------------------------------"
3740 L1$ = "

& +###.## &"

3750 Print: Print USING; L1$; "Temperature:"; TC; "Deg C": Print Tab(13); "--------------------------"
3760 Print Tab(13); "No

Name

Mole Fraction Activity Coefficient"

3770 Print Tab(13); "-- ------------

-------------

3780 L1$ = "

#.#####

##

--------------------"
#########.####"

3790 For I = 1 To IMX


3800 Print USING; L1$; I; C$(I); X(I); G(I)
3810 Next I
3820 PRINT : RETURN 1450
3830 'EXIT>
3840 Key OFF: CLS: Print "BYE...AND THANK YOU FOR USING UNIFAC....."
3850 End

D-15

Appendix D : Computer Program

3860 'COMPUTATION OF GROUP MOLE FRACTIONS>


3870 For J = 1 To ILS(1)
3880 IARM(J) = IAR(1, J): ANM(J) = AN(1, J): ANMX(J) = X(1) * AN(1, J)
3890 Next J
3900 KMAX = ILS(1)
3910 For I = 2 To IMX
3920 For J = 1 To ILS(I)
3930 For K = 1 To KMAX
3940 If IARM(K) = IAR(I, J) Then GoTo 3960
3950 GoTo 3980
3960 ANM(K) = ANM(K) + AN(I, J)
3970 ANMX(K) = ANMX(K) + X(I) * AN(I, J): GoTo 4030
3980 Next K
3990 KMAX = KMAX + 1
4000 IARM(KMAX) = IAR(I, J)
4010 ANM(KMAX) = AN(I, J)
4020 ANMX(KMAX) = X(I) * AN(I, J)
4030 Next J
4040 Next I
4050 Return
4060 'GROUP ENTRY ROUTINE>
4070 KEY(14) ON
4077 On Key(14) GoSub 4360
4080 KEY(11) ON
4082 On Key(11) GoSub 4350
4085 KEY(13) ON
4087 On Key(13) GoSub 4340
4090 KEY(12) ON
4095 On Key(12) GoSub 4330
4150 For JI = 1 To 85: Y(JI) = 0: Next JI: Z = 1
4160 CLS: Key OFF
4170 Print "ENTER FREQUENCY OF UNIFAC SUBGROUPS IN ", C$(I)
4180 Print "CURSOR KEYS ARE ACTIVE. BLANK = ZERO. PRESS ENTER WHEN DONE."
4190 For IJ = 1 To 20
4200 LOCATE IJ + 3, 1: Print N2$(IJ)

D-16

Appendix D : Computer Program

4210 LOCATE IJ + 3, 15: Print N2$(IJ + 20)


4220 LOCATE IJ + 3, 27: Print N2$(IJ + 40)
4230 LOCATE IJ + 3, 41: Print N2$(IJ + 60)
4240 Next IJ
4250 For IJ = 81 To 85
4260 LOCATE IJ - 77, 55: Print N2$(IJ)
4270 Next IJ
4280 GoSub 4370
4290 A$ = INKEY$
4291 If IKYFLG = 0 And A$ = DOWN$ Then GoSub 4360
4292 If IKYFLG = 0 And A$ = UP$ Then GoSub 4350
4293 If IKYFLG = 0 And A$ = RGHT$ Then GoSub 4340
4294 If IKYFLG = 0 And A$ = LFT$ Then GoSub 4330
4300 If A$ = Chr$(13) Then GoTo 4460 Else If A$ = "" Then GoTo 4290 Else G = Val(A$)
4310 If G > 9 Then BEEP Else GoSub 4450
4320 GoTo 4290
4330 Z = Z - 20: If Z < 1 Then BEEP: Z = Z + 20: Return Else GoTo 4370
4340 Z = Z + 20: If Z > 85 Then BEEP: Z = Z - 20: Return Else GoTo 4370
4350 Z = Z - 1: If Z < 1 Then BEEP: Z = Z + 1: Return Else GoTo 4370
4360 Z = Z + 1: If Z > 85 Then BEEP: Z = Z - 1: Return Else GoTo 4370
4370 If Z < 1 Then Z = 1
4380 If Z < 21 Then LOCATE Z + 3, 11, 1: Return
4390 If Z < 41 Then LOCATE Z - 17, 24, 1: Return
4400 If Z < 61 Then LOCATE Z - 37, 38, 1: Return
4410 If Z < 81 Then LOCATE Z - 57, 52, 1: Return
4420 If Z < 100 Then LOCATE Z - 77, 61, 1: Return
4430 If Z > 85 Then Z = 85: GoTo 4370
4440 Return
4450 Y(Z) = G
4452 If Y(Z) > 0 Then Print Y(Z) Else Print " "
4454 GoTo 4370
4460 JM = 1
4470 For Z = 1 To 85
4480 If Y(Z) = 0 Then GoTo 4520
4490 If JM = 11 Then GoTo 1840

D-17

Appendix D : Computer Program

4500 IAR(I, JM) = Z: AN(I, JM) = Y(Z)


4510 JM = JM + 1
4520 Next Z
4530 ILS(I) = JM - 1
4540 CLS: Z = 1: GoTo 1780
4550 'KEY OFF ROUTINE>
4560 KEY OFF: FOR I = 1 TO 10: KEY(I) OFF: KEY I, "": NEXT I
4570 Return
4580 'ACTIVITY COEFFICIENT LIST
4590 GoSub 4560
4600 IRTRN = 1: CLS
4610 Print " x(1)

GAM(1)

GAM(2)

GEX(J/MOL)"

4620 L1$ = " #.#### #.####^^^^ #.####^^^^

#.####^^^^"

4630 For IXX = 1 To 21: X(1) = 0.05 * (IXX - 1): X(2) = 1 - X(1)
4640 If X(1) > 0! Then GoTo 4660
4650 X(1) = 0.000001: X(2) = 0.999999
4660 If X(2) > 0 Then GoTo 4680
4670 X(1) = 0.999999: X(2) = 0.000001
4680 GoSub 3870
4690 GoTo 2630
4700 GAM(1, IXX) = G(1): GAM(2, IXX) = G(2)
4710 GEX = 8.314 * TK * (X(1) * LG(1) + X(2) * LG(2))
4720 If IXX = 1 Or IXX = 21 Then GEX = 0
4730 Print USING; L1$; X(1); GAM(1, IXX); GAM(2, IXX); GEX
4740 Next IXX
4750 ILST = 1
4760 RETURN 1450
4770 'x-y-T-P LIST
4780 CLS: GoSub 4560
4790 If IPVAC = 0 Then GoTo 4840
4800 For I = 1 To 2
4810 PVAP(I) = Exp(AA(I) - BB(I) / (TK + CC(I)))
4820 Next I
4830 IPVAP = 1
4840 If IPVAP = 1 Then GoTo 4890

D-18

Appendix D : Computer Program

4850 For I = 1 To 2
4860 Print "Enter vapor pressure of ", C$(I), "(in units of bar)"
4870 INPUT PVAP(I): NEXT I
4880 IPVAP = 1
4890 CLS: Print " x(1)
4900 L1$ = " #.####

y(1)

y(2)

#.#### #.####

P(bar)"
#.####^^^^"

4910 For I = 1 To 21
4920 X(1) = 0.05 * (I - 1): X(2) = 1 - X(1): XX(I) = X(1)
4930 P1 = X(1) * GAM(1, I) * PVAP(1)
4940 P2 = X(2) * GAM(2, I) * PVAP(2)
4950 P(I) = P1 + P2
4960 YY(1, I) = P1 / (P1 + P2)
4970 YY(2, I) = P2 / (P1 + P2)
4980 Print USING; L1$; X(1); YY(1, I); YY(2, I); P(I)
4990 Next I
5000 ILST1 = 1: RETURN 1450
5010 'x-y GRAPH
5020 CLS: GoSub 4560
5030 L1$ = "x-y DIAGRAM OF \

\ AND \

\"

5040 LOCATE 9, 20: Print USING; L1$; C$(1); C$(2)


5050 LOCATE 11, 20: Print "**

PRESS ANY KEY TO BEGIN

**"

5060 LOCATE 12, 20: Print "** AND PRESS ANY KEY WHEN FINISHED **"
5070 A$ = INKEY$
5080 If A$ = "" Then GoTo 5070
5090 Screen 2
5100 CLS
5110 VIEW (60, 164)-(624, 3), , 1
5120 WINDOW (0, 0)-(1, 1)
5130 For I = 1 To 9
5140 IF I < 2 THEN LINE (0!, .1 * I)-(.6, .1 * I), , , &HF0F0
5150 IF I >= 2 THEN LINE (0!, .1 * I)-(1!, .1 * I), , , &HF0F0
5160 IF I < 7 THEN LINE (.1 * I, 0!)-(.1 * I, 1), , , &HCCCC
5170 IF I >= 7 THEN LINE (.1 * I, .2)-(.1 * I, 1), , , &HCCCC
5180 Next I
5190 Line (0.6, 0)-(0.6, 0.2): Line -(1!, 0.2)

D-19

Appendix D : Computer Program

5200 LOCATE 22, 8: Print "0"; Tab(21); "0.2"; Tab(35); "0.4"; Tab(49); "0.6"; Tab(63); "0.8"; Tab(78); "1.0"
5210 LOCATE 23, 32: Print "Liquid mole fraction of 1"
5220 For I = 1 To 6
5230 YLBL = 1 - 0.2 * (I - 1)
5240 LOCATE 1 + 4 * (I - 1), 5: Print USING; "#.#"; YLBL: Next I
5250 H$(1) = "V": H$(2) = "a": H$(3) = "p": H$(4) = "o": H$(5) = "r": H$(6) = " ": H$(7) = "m"
5260 H$(8) = "o": H$(9) = "l": H$(10) = "e": H$(11) = " ": H$(12) = "f": H$(13) = "r"
5270 H$(14) = "a": H$(15) = "c": H$(16) = " ": H$(17) = "1"
5280 For L = 1 To 17
5290 LOCATE L + 2, 1: Print H$(L): Next L
5300 L1$ = "1 = \

\"

5310 L2$ = "2 = \

\"

5320 L3$ = "T = ####.## C"


5330 LOCATE 18, 57: Print USING; L1$; C$(1)
5340 LOCATE 19, 57: Print USING; L2$; C$(2)
5350 LOCATE 20, 57: Print USING; L3$; TC
5360 Line (0, 0)-(1!, 1!)
5370 Line (0, 0)-(0, 0)
5380 For I = 1 To 21
5390 Line -(XX(I), YY(1, I)): Next I
5400 A$ = INKEY$
5410 If A$ = "" Then GoTo 5400
5420 Screen 0, 1
5430 GoTo 1450
5440 Return
5450 'ANTOINE CONSTANT ENTRY>
5460 CLS: GoSub 4560
5470 For I = 1 To 2
5480 Print: Print "ENTER CONSTANTS IN EQUATION PVAP(BAR) = EXP(A-B/(T(K)+C))"
5490 Print "FOR ", C$(I), " OR 0 TO STOP": Print
5500 INPUT "A = ", AA(I): IF AA(I) = 0 THEN 1450
5510 INPUT "B = ", BB(I)
5520 INPUT "C = ", CC(I)
5530 Next I
5540 IPVAC = 1: GoTo 1450

D-20

Appendix D : Computer Program

"CH2",1,"CH3",1,.9011,.848,15.034
"CH2",1,"CH2",2,.6744,.54,14.026
"CH2",1,"CH",3,.4469,.228,13.018
"CH2",1,"C",4,.2195,0,12.010
"C=C",2,"CH2=CH",5,1.3454,1.176,27.044
"C=C",2,"CH=CH",6,1.1167,.867,26.036
"C=C",2,"CH2=C",7,1.1173,.988,26.036
"C=C",2,"CH=C",8,.8886,.676,25.028
"C=C",2,"C=C",9,.6605,.485,24.020
"ACH",3,"ACH",10,.5313,.4,13.018
"ACH",3,"AC",11,.3652,.12,12.01
"ACCH2",4,"ACCH3",12,1.2663,.968,27.044
"ACCH2",4,"ACCH2",13,1.0396,.66,26.036
"ACCH2",4,"ACCH",14,.8121,.348,25.028
"OH",5,"OH",15,1,1.2,17.008
"CH3OH",6,"CH3OH",16,1.4311,1.432,32.042
"H2O",7,"H2O",17,.92,1.4,18.016
"ACOH",8,"ACOH",18,.8952,.68,29.018
"CH2CO",9,"CH3CO",19,1.6724,1.488,43.044
"CH2CO",9,"CH2CO",20,1.4457,1.18,42.036
"CHO",10,"CHO",21,.998,.948,29.018
"CCOO",11,"CH3COO",22,1.9031,1.728,59.044
"CCOO",11,"CH2COO",23,1.6764,1.42,58.036
"HCOO",12,"HCOO",24,1.242,1.188,45.018
"CH2O",13,"CH3O",25,1.145,1.088,31.034
"CH2O",13,"CH2O",26,.9183,.78,30.026
"CH2O",13,"CH-O",27,.6908,.468,29.018
"CH2O",13,"FCH2O",28,.9183,1.1,30.026
"CNH2",14,"CH3NH2",29,1.5959,1.544,31.058
"CNH2",14,"CH2NH2",30,1.3692,1.236,30.50
"CNH2",14,"CHNH2",31,1.1417,.924,29.042
"CNH",15,"CH3NH",32,1.4337,1.244,30.50
"CNH",15,"CH2NH",33,1.207,.936,29.042
"CNH",15,"CHNH",34,.9795,.624,28.034

D-21

Appendix D : Computer Program

"(C)3N",16,"CH3N",35,1.1865,.94,29.042
"(C)3N",16,"CH2N",36,.9597,.632,28.034
"ACNH2",17,"ACNH2",37,1.06,.816,28.034
"pyridine",18,"C5H5N",38,2.9993,2.113,79.098
"pyridine",18,"C5H4N",39,2.8332,1.833,78.090
"pyridine",18,"C5H3N",40,2.667,1.553,77.082
"CCN",19,"CH3CN",41,1.8701,1.724,41.052
"CCN",19,"CH2CN",42,1.6434,1.416,40.044
"COOH",20,"COOH",43,1.3013,1.224,45.018
"COOH",20,"HCOOH",44,1.528,1.532,46.026
"CCl",21,"CH2Cl",45,1.4654,1.264,49.483
"CCl",21,"CHCl",46,1.238,.952,48.475
"CCl",21,"CCl",47,1.006,.724,47.467
"CCl2",22,"CH2Cl2",48,2.2564,1.988,84.940
"CCl2",22,"CHCl2",49,2.0606,1.684,83.932
"CCl2",22,"CCl2",50,1.8016,1.448,82.924
"CCl3",23,"CHCl3",51,2.87,2.41,119.389
"CCl3",23,"CCl3",52,2.6401,2.184,118.381
"CCl4",24,"CCl4",53,3.39,2.91,153.838
"ACCl",25,"ACCl",54,1.1562,.844,47.467
"CNO2",26,"CH3NO2",55,2.0086,1.868,61.042
"CNO2",26,"CH2NO2",56,1.7818,1.56,60.034
"CNO2",26,"CHNO2",57,1.5544,1.248,59.026
"ACNO2",27,"ACNO2",58,1.4199,1.104,58.018
"CS2",28,"CS2",59,2.057,1.65,76.142
"CH3SH",29,"CH3SH",60,1.877,1.676,48.108
"CH3SH",29,"CH2SH",61,1.651,1.368,47.100
"furfural",30,"furfural",62,3.168,2.481,96.090
"DOH",31,"(CH2OH)2",63,2.4088,2.248,60.052
"I",32,"I",64,1.264,.992,126.92
"Br",33,"Br",65,.9492,.832,79.916
"C~C",34,"CH~C",66,1.292,1.088,25.028
"C~C",34,"C~C",67,1.0613,.784,24.020
"Me2SO",35,"Me2SO",68,2.8266,2.472,78.131
"ACRY",36,"ACRY",69,2.3144,2.052,53.06

D-22

Appendix D : Computer Program

"ClCC",37,"Cl(C=C)",70,.791,.724,35.45
"ACF",38,"ACF",71,.6948,.524,31.01
"DMF",39,"DMF-1",72,3.0856,2.736,73.09
"DMF",39,"DMF-2",73,2.6322,2.12,71.09
"CF2",40,"CF3",74,1.406,1.38,69.01
"CF2",40,"CF2",75,1.0105,.92,50.01
"CF2",40,"CF",76,.615,.46,31.01
"COO",41,"COO",77,1.38,1.2,44.010
"SiH2",42,"SiH3",78,1.6035,1.2632,31.110
"SiH2",42,"SiH2",79,1.4443,1.0063,30.102
"SiH2",42,"SiH",80,1.2853,.7494,29.094
"SiH2",42,"Si",81,1.047,.4099,28.086
"SiO",43,"SiH2O",82,1.4838,1.0621,46.101
"SiO",43,"SiHO",83,1.303,.7639,45.093
"SiO",43,"SiO",84,1.1044,.4657,44.085
"NMP",44,"NMP",85,3.981,3.2,99.13

D.5 Prediction of Phase Equilibria K-Values


MATHCAD mcd-file for the for optimum parameter estimation and for
prediction vapor-liquid equilibrium data by means of selected equation of state.

Modified
SOAVE
Equation of state
X1=Ethanol
X2=2-methyl-2-propanol
i:=1,2..30

j:=1..2

D-23

Appendix D : Computer Program

X1 i :=
R

Y1 i :=

X2 i :=1-X1 i
Y2 i :=1-Y1 i

Ti:=
335.53
355.43
355.35
355.29
355.24
355.12
354.95
354.78
354.70
354.49
354.41
354.26
354.02
353.87
353.76
353.67
353.43
353.35
353.22
352.97
352.58
352.48
352.26
352.18
352.06
351.94
351.91
351.87
351.71
351.44

K1i

0.0000
0.0357
0.0749
0.1015
0.1220
0.1788
0.2485
0.3122
0.3455
0.4128
0.4378
0.4798
0.5440
0.5792
0.6060
0.6256
0.6743
0.6902
0.7140
0.7594
0.8211
0.8366
0.8671
0.8784
0.8946
0.9088
0.9122
0.9177
0.9359
0.9610

0.0000
0.0323
0.0679
0.0921
0.1107
0.1627
0.2263
0.2845
0.3147
0.3764
0.3990
0.4380
0.4978
0.5309
0.5562
0.5756
0.6234
0.6383
0.6625
0.7088
0.7747
0.7920
0.8271
0.8402
0.8592
0.8763
0.8805
0.8871
0.9099
0.9420

Y1i
X1i

K2i

1.0000
0.9677
0.9321
0.9079
0.8893
0.8373
0.7737
0.7155
0.6853
0.6236
0.6010
0.5620
0.5022
0.4691
0.4438
0.4244
0.3766
0.3617
0.3375
0.2912
0.2253
0.2080
0.1729
0.1598
0.1408
0.1237
0.1195
0.1129
0.0901
0.0580

Y2i
X2i

D-24

1.0000
0.9643
0.9251
0.8985
0.8780
0.8212
0.7515
0.6878
0.6545
0.5872
0.5622
0.5202
0.4560
0.4208
0.3940
0.3744
0.3257
0.3098
0.2860
0.2406
0.1789
0.1634
0.1329
0.1216
0.1054
0.0912
0.0878
0.0823
0.0641
0.0390

Appendix D : Computer Program

F1( X1, X2, Y1 , Y2 , T , K12, h12, n1, n2, m1 , m2 )

Pc1 5.168
Pc2 3.035
Tc1 536.74
Tc2 507.90
w1 .623
w2 .299
R 8.314
P 0.101325
for j 1 .. 2
Trj

T
Tcj
P

Prj

Pcj

for j 1 .. 2
R.Tcj

aj 0.42747 .
bj 0.08664 .

Pcj
R.Tcj
Pcj

1 1 m1 . 1 Tr1

1
n1.
1
Tr1

2 1 m2 . 1 Tr2

1
n2.
1
Tr2

Aj 0.42747 . j .
Bj 0.08664 .

Prj
Trj

Prj
Trj

2
AL ( X1) .A1

2 .X1.X2.( 1 K12) . A1.A2

2
( X2) .A2

2
AV ( Y1) .A1

2 .Y1 .Y2 .( 1 K12) . A1.A2

2
( Y2) .A2

B1 B2

BL X1 .B1 2 .X1.X2.( 1 h12) .


2

X2 .B2
2

2
B1 B2

2
BV Y1 .B1 2 .Y1 .Y2 .( 1 h12) .

2
Y2 .B2

aL

2
( X1) . 1.a1

2 .X1.X2.( 1 K12) . a1. 1.a2. 2

2
( X2) .a2. 2

aV

2
( Y1) . 1.a1

2 .Y1 .Y2 .( 1 K12) . a1. 1.a2. 2

2
( Y2) .a2. 2

2
bL X1 .b1 2 .X1.X2.( 1 h12) .
2
bV Y1 .b1 2 .Y1 .Y2 .( 1 h12) .

b1 b2
2
b1 b2
2

X2 .b2
2

2
Y2 .b2

zL 0
zV 1
ZL root ( zL)

2
( 1 BL) .( zL)

ZV root ( zV)

( 1 BV) .( zV)

( AL) ( BL)

( BL) .zL

. , zL
ALBL

( AV) ( BV)

( BV) .zV

. , zV
AVBV

B1

B
2 .
.( ZL 1) ln( ZL BL) AL. 1
L1
( X1) . a1. 1
BL BL aL
BL

BL
X2.( 1 K12) . a1. 1.a2. 2 .ln 1
ZL

B
B1
2 .
.( ZV 1) ln( ZV BV) AV. 1
( Y1) . a1. 1
BV BV aV
BV

BV
Y2 .( 1 K12) . a1. 1.a2. 2 .ln 1
ZV

V1

K1cal

( exp( ( L1) ) )
( exp( ( V1) ) )

K1cal

D-25

Appendix D : Computer Program

F2( X1, X2, Y1 , Y2 , T , K12, h12, n1, n2, m1 , m2 )

Pc1 5.168
Pc2 3.035
Tc1 536.74
Tc2 507.90
w1 .623
w2 .299
R 8.314
P 0.101325
for j 1 .. 2
Trj

T
Tcj
P

Prj

Pcj

for j 1 .. 2
R.Tcj

aj 0.42747 .
bj 0.08664 .

Pcj
R.Tcj
Pcj

1 1 m1 . 1 Tr1

1
n1.
1
Tr1

2 1 m2 . 1 Tr2

1
n2.
1
Tr2

Aj 0.42747 . j .
Bj 0.08664 .

Prj
Trj

Prj
Trj

2
AL ( X1) .A1

2 .X1.X2.( 1 K12) . A1.A2

2
( X2) .A2

2
AV ( Y1) .A1

2 .Y1 .Y2 .( 1 K12) . A1.A2

2
( Y2) .A2

B1 B2

BL X1 .B1 2 .X1.X2.( 1 h12) .


2

X2 .B2
2

2
B1 B2

2
BV Y1 .B1 2 .Y1 .Y2 .( 1 h12) .

2
Y2 .B2

aL

2
( X1) . 1.a1

2 .X1.X2.( 1 K12) . a1. 1.a2. 2

2
( X2) .a2. 2

aV

2
( Y1) . 1.a1

2 .Y1 .Y2 .( 1 K12) . a1. 1.a2. 2

2
( Y2) .a2. 2

2
bL X1 .b1 2 .X1.X2.( 1 h12) .
2
bV Y1 .b1 2 .Y1 .Y2 .( 1 h12) .

b1 b2
2
b1 b2
2

X2 .b2
2

2
Y2 .b2

zL 0
zV 1
ZL root ( zL)

2
( 1 BL) .( zL)

ZV root ( zV)

( 1 BV) .( zV)

( AL) ( BL)

( BL) .zL

. , zL
ALBL

( AV) ( BV)

( BV) .zV

. , zV
AVBV

B2

B
2 .
.( ZL 1) ln( ZL BL) AL. 2
L2
( X2) . a2. 2
BL BL aL
BL

BL
X1.( 1 K12) . a1. 1.a2. 2 .ln 1
ZL

B
B2
2 .
.( ZV 1) ln( ZV BV) AV. 2
( Y2) . a2. 2
BV BV aV
BV

BV
Y1 .( 1 K12) . a1. 1.a2. 2 .ln 1
ZV

V2

K2cal

( exp( ( L2) ) )
( exp( ( V2) ) )

K2cal

D-26

Appendix D : Computer Program

Sum of Squares to be Minimized :


K1i F1 X1i , X2i , Y1i , Y2i , Ti , K12, h12, n1, n2, m1 , m2

(
, h12, n1, n2, m1 , m2 )
SSEK12

K2i F2 X1i , X2i , Y1i , Y2i , Ti , K12, h12, n1, n2, m1 , m2


i

Given
SSEK12
(
, h12, n1, n2, m1 , m2 ) 0
K12
h12
n1

Minerr( K12, h12, n1, n2, m1 , m2 )

n2
m1
m2

parameters for best fit


U

K12=0.0237
h12=0.2163
R:=8.314

n1=0.3125
n2=0.6958

T
P
Tri , j := i
Tc j
Pc j

Pr j =

Tc j :=

Pc j :=

w j :=
0.649
0.631

6.148
3.973

513.92
507.90

aj

0.42747 .

R.Tcj

P:=0.1013

bj

n1.

0.42747 . i ,j .

Pcj

i ,1 1 m1 . 1 Tri ,1

Ai ,j

m1=0.7446
m2=0.6943

Tri ,1

Prj
Tri ,j

0.08664 .

R.Tcj
Pcj

i ,2 1 m2 . 1 Tri ,2

Bi ,j

0.08664 .

Prj
Tri ,j

D-27

n2.

1
Tri ,2

Appendix D : Computer Program

aLi

2
X1i . i ,1.a1

2 .X1i .X2i .( 1 K12) . a1. i ,1.a2. i ,2

2
X2i .a2. i ,2

aVi

2
Y1i . i ,1.a1

2 .Y1i .Y2i .( 1 K12) . a1. i ,1.a2. i ,2

2
Y2i .a2. i ,2

bLi

2
X1i .b1 2 .X1i .X2i .( 1 h12) .

bVi

2
Y1i .b1 2 .Y1i .Y2i .( 1 h12) .

zL 0

ZLi

zV 1

b1 b2
2
b1 b2
2

TOL 10

2
X2i .b2
2
Y2i .b2

15

root( FzL( zL) , zL)

ZVi root( FzV( zV) , zV)

L1i

V1i

L2i

V2i

K1cali

Bi ,1
BLi

Bi ,1
BVi

Bi ,2
BLi

Bi ,2
BVi

. ZL 1
i

ln ZLi BLi

ALi Bi ,1 2
. X1 . a .
.
i
1 i ,1
BLi BLi aL
i

X2i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1

. ZV 1
i

ln ZVi BVi

AVi Bi ,1 2
. Y1 . a .
.
i
1 i ,1
BVi BVi aV
i

Y2i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1

. ZL 1
i

ln ZLi BLi

ALi Bi ,2 2
.
. X2 . a .
i
2 i ,2
BLi BLi aL
i

X1i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1

. ZV 1
i

ln ZVi BVi

AVi Bi ,2 2
.
. Y2 . a .
2 i ,2
i
BVi BVi aV
i

Y1i .( 1 K12) . a1. i ,1.a2. i ,2 .ln 1

exp L1i
exp V1i

K2cali

exp L2i
exp V2i

D-28

BLi
ZLi

BVi
ZVi

BLi
ZLi

BVi
ZVi

Appendix D : Computer Program

K1 i
R

RR

1.0816
1.0804
1.0798
1.0800
1.0776
1.0766
1.0758
1.0760
1.0751
1.0755
1.0738
1.0713
1.0694
1.0681
1.0655
1.0603
1.0599
1.0564
1.0502
1.0389
1.0354
1.0277
1.0248
1.0206
1.0166
1.0155
1.0140
1.0083
1.0000

K1cal i

1.1034
1.1022
1.1015
1.1018
1.0993
1.0983
1.0975
1.0977
1.0968
1.0972
1.0954
1.0930
1.0909
1.0896
1.0870
1.0817
1.0813
1.0778
1.0714
1.0599
1.0563
1.0484
1.0454
1.0412
1.0371
1.0360
1.0345
1.0286
1.0202

RR

K2 i

1.0000
0.9971
0.9937
0.9914
0.9893
0.9838
0.9758
0.9672
0.9619
0.9500
0.9445
0.9359
0.9201
0.9104
0.9019
0.8972
0.8820
0.8741
0.8662
0.8473
0.8198
0.8128
0.8008
0.7956
0.7861
0.7791
0.7779
0.7736
0.7654

K2cali

1.0000
0.9965
0.9926
0.9897
0.9873
0.9807
0.9712
0.9612
0.9551
0.9416
0.9354
0.9256
0.9079
0.8971
0.8877
0.8821
0.8648
0.8565
0.8474
0.8262
0.7942
0.7855
0.7685
0.7611
0.7486
0.7374
0.7348
0.7292
0.7111
0.6724

AVi .BVi
Vi

AVi

BVi

1 BVi

BVi

ri

polyrootsVi

3.337 10
r1 =

0.023
0.971

D-29

Appendix D : Computer Program

No
Mean overall Deviation

30

20

measure the overall goodness of the Fit of data


K1cali

K1i
Mean Deviation %
for K1

K1i

0.5020
. 100 = 7.505

No

K2cali

K2i
Mean Deviation %
for K2

K2i

No

. 100 = 1.660.8001

Average Absolute Deviation AAD


K1i
for K1

K1cali

= 0.047 0.0064

No

for K2

K2i
i

K2cali
= 0.035 0.0410

No

D-30

Appendix D : Computer Program

D-31

Appendix E : Example of calculation

APPENDIX E

Example of calculation
Example: To calculate vapor liquid equilibria for the binary system Ethanol(1) + 2methyl-2-propanol at pressure 101.3 kPa and temperature 355.35 K by using the
Wong-Sandler mixing rules and the PRSV EOS with using the GE of NRTL
expression. x1= 0.0721 and y1=0.0779 at 355.35 K from [3].
Component
Ethanol
2-methyl-2-propanol

R 2Tci2
ai = 4.57235
Pc

Tc / K
513.92
506.21

T
i
Tci

T
i = 1 + k i 1
Tci
Tci

Pc/ bar
61.48
39.73

0649
0.613

1/ 2

T 2
T
k i = 0.378893 + 1.4897 i 0.17138 + 0.0196554 + k i 1 + 0.7
Tci
Tci
The parameters k1(1) , k 2(1) , kij and C are found by fitting experimental values using
maximum likelihood principle method.
k1(1) = 0.1573 , k 2(1) = 0.2311 , kij=0.364 and C=-0.401
2
i

3
i

k1= 1.2632
k2=1.27804
1/ 2
T
355.35
1 = 1 + 1.26321

513.92
Tc1

T
= 2.8956
Tc1

E_1

(1)

Appendix E : Example of calculation

T
Tc 2

= 2.9238

a1=3.93*108
a2=5.96*108
bi = 0.077796

RTci
Pci

b1=54.0665
b2=82.4099
a12 = (a1 a 2 )

1/ 2

(1 k12 )

a12=3.078*108

The parameters gij ,gii,gjj and ij are found by experimental values using
maximum likelihood principle method.
Ethanol+ 2-methyl-2propanol

ij =

g11

g22

1745.000 14.885

g ij g jj

RT
= 1.259

21
12 = 1845

Gij = exp( ij ij )

G12=0.586
G21=0.694
For NRTL expression
G Ev
= y1 y
RT

21G21
12 G12

+
y +G y
y 2 + G12 y
21 2
2 1

G Ev
= 0.1676
RT
G EL
= 0.15378
RT

E_2

g12

12

5465.00 0.290

Appendix E : Example of calculation

b =

y y (b a / RT )
i =1 j =1

ij

2
a
G Ev
y i ii +

b
C
1
=
i
i

a
1
1

(a11 a 22 )1 / 2 (1 k12 )
= (b1 + b2 )
b
RT 12 2
RT

1
1
RT

4
= 1.035 * 10
b
RT 12

4
= 1.3248 * 10
b
RT 11

4
= 2.009 * 10
b
RT 22

bv=76.596
bL=77.006
G Ev
a
a
av = bv
+ y1 11 + y 2 22
b1
b2
C

av=5.532*108
aL=5.601*108
DL =

2
a
1 GE
+ xi i
C RT i =1 RTbi

DL=244.498
2

Q L = xi x j (b a / RT )ij
i =1 j =1

Q = 1.875 * 10 4
L

E_3

Appendix E : Example of calculation

1 n 2 Q L

n n1

= 2 x 2 (b a / RT )12 + 2 x1 (b a / RT )11
T , n2

1 n 2 Q L

n n1

= 2.111 * 10 4
T , n2

1
RT

nG

n1

1
RT

nG E

n1

nD L

n1

T , n2

x2
x2
x 2 + x1 x 2 G12 + 2 x1G12
x1 x 2 + x 22 G21 x1 + 2 G21
x1
x1

+ 12 G12
= 21G21
2

(x1 + x2 G21 )
(x2 + x1G12 )2

= 30.385
T , n2

a1
1 nG E

=
+
RTb
CRT
1
n1
T , n2

nD L

n1

T , n2

= 170.262
T , n2

nb L

n1

=
L
T , n2 1 D

nb L

n1

= 33.168
T , n2

1 n 2 Q L

n n1

1 n 2 a L

n n1

nb L

= RTD L
n1
T , n2

1 n 2 a L

n n1

= 6.269 * 10 8
T , n2

QL

1 D L

nD L

+ RTb L
n1

nD L
1
n1

ZL and ZV are Compressibility Factor obtained from optimization


ZL=0.1221
ZV=0.9011
nb L
bL
1
+
+ L Z L 1
RT b
n1 2
1 nb L V L + 1
ln
L
b n1 T ,n V L + 1 +
2

ln 1L = ln Z L + ln
1
L
na

n 2 a L

n1

T , n2

(
(

aL
2b L RT

)
2 )b

2 bL

E_4

Appendix E : Example of calculation

Calculation of vapor and liquid fugacity coefficients using computer


program
ln 1L = 2.351
1L = 0.855

In the same manner


ln 2L = 1.948
2L = 0.667

And

1V = 0.789

V2 = 0.671
1L
K1 = V
1
K 1 = 1.0832

K2 =

2L
V2

K 2 = 0.9936
x1cal . = 0.0709
x 2cal . = 0.9291
y1cal . = 0.0768
y 2cal . = 0.9232

E_5



.


.

.

-2 " :-2- +-2+-2-"
"-2+-2- +" " -2-2- + +"
101,3 . ":-2+-2-
" -2 " -2- + " " -2-2- +"
101,3 . "-2-2- +"
) (minimum azeotrope ) 0.955=x 1 (AZ
R

) 327.94= T(AZ
) thermodynamic

(consistency ).(McDermott-Ellis method


) (Kvalues )(VLE

: ) modified Soave Redlich and

) (Kwong (SRK )) (modified Peng and Robinson (PR


.
) (Redlich and Kwong (SRK

) modified Soave

) (NRTL,UNIQUAC and UNIFAC )) modified Peng and

( Robinson (PR

(NRTL,UNIQUAC

) and UNIFAC . PRSV

) (Wong-Sandler . Gibbs
.NRTL and UNIQUAC

) (K values ) maximum

(likelihood principle
.

) (PRSV

) (Wong-Sandler

) (GE ) (NRTL
P

) (K-values
.
. 71 )( K-values
) (Wong-Sandler
) (PRSV ) (GE )(NRTL
P

) overall average absolute

) (deviations (AAD ) overall percentage

(mean deviations 0.0232 0.8387 .


. 298 )K -

(values

) (Wong-Sandler ) (PRSV
) (GE ) (NRTL
P

)) (overall average absolute deviations (AAD


) (overall percentage mean deviations 0.011
1.387 .

-

101.3



2003

2008

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