DISTILLATION: McCABE-THIELE DIAGRAMS AND SHORTCUT METHODS

ChE 3G4 Spreadsheet Distillation columns can typically be described by the schematic diagram shown to the right. A column contains N trays, each of which is at a particular temperature and pressure. Vapour-liquid equilibrium is established across each of these trays, with a vapour flow rate of V and liquid flow rate of L. A feed stream of molar flow F, mole fraction composition zi and quality q (q=0 is a saturated vapour; q=1 is a saturated liquid) is fed to the column at an optimized tray NFEED. The vapour from the top of the column (molar flow rate V) is totally condensed, with part of the condensate returned to the column (molar flow rate L) and part removed as a distillate product (molar flow rate D with mole fraction composition xi,DIST). Similarly, the liquid from the bottom of the column is partially reboiled back to the column, with the remaining liquid portion removed as a bottoms product (molar flow rate B with a mole fraction composition xi,BOT). Unlike in a flash drum, the product distillate and bottoms streams are NOT themselves in equilibrium, only the vapour and liquid compositions of each single tray.

Distillation processes are frequently used in industry to do perform well-defined separations, often using a cascade of columns in sequence to achieve the desired product compositions. As a result, it's important we find a way to design columns to meet specific product stream specifications. A variety of methods can be used, the most obvious of which is performing tray-by-tray balances within the column. Since each tray is at a constant pressure, this essentially amounts to performing a flash calculation on each single tray up and down the column. While computer simulation programs can do such calculations, they are very cumbersome and difficult to do with a spreadsheet. However, we can use shortcut methods to estimate the number of trays and external (L/D) and internal (L/V) reflux ratios required to produce product streams of specified compositions.

In designing a column, we can identify two practical limiting cases for the reflux ratios L/V and L/D: (1) L=V; that is, we do not take any distillate (or bottoms) product

In this case, we need a minimum number of trays to perform the separation since we have no incoming or outgoing flow. This predicted using the Fenske equation, expressed either in terms of the mole fractions (x) of components A and B or the fraction in the distillate and bottom stream. Here, A is the light key component (ie. a component present in both the distillate and bottom and B is the heavy key component (ie. a component present in both the distillate and bottoms but recovered primarily in the bot two components whose recovery in the distillate and/or bottoms is specified in the problem in a multi-component distillation pro

N min

x ln A x B =

xA DIST x B ln a AB

BOT

N min

( FRA ) DIST ( FRB ) BOT ln [1 - ( FRA ) DIST ][1 - ( FRB ) BOT ] = ln a AB

The parameter aAB in these equations is the relative volatility of A with respect to B, which (assuming ideal conditions) can be e

yA

a AB =

xA xB

yB

P*A
*

* P = PA * P B PB P

where PA* and PB* are the vapour pressures of components A and B (from Antoin

A key assumption to this approach is that the relative volatility is constant throught the entire column, despite the fact that a ran different trays. Several approaches are taken to get the "best" estimate of this average relative volatility; in this spreadsheet, th calculated and the partial pressure ratio at the midpoint of these temperatures is used. (1) L/Dmin - the external reflux ratio at which the specified separation is just achieved with an infinite number of trays

As we continue to take more and more product off the top, we reduce the amount of product returned to the column and conse molecule stays within the column. Eventually, we reach a point where an "infinite" number of stages is required to separate the specifications. This minimum external reflux ratio L/Dmin can be predicted using the Underwood equations given below:

VFEED =
i

ai Fzi = F (1 - q) ai - f

(1)

V min =

a i Dx i , DIST a -f i i

(2)

L min = V min - D

To solve these equations, we first find the value of the parameter f which satisfies equation (1). We can then substitute this va calculated based on the feed flow and composition and the specified mole fractions and/or fractional recoveries of the compone 3. These equations can be used for any number of different components within the column; however, if solved in this fashion (i assume that any light or heavy non-key components (ie. components with relative volatilities higher and lower than the light and do not distribute at all (ie. all light non-key ends up in the distillate and all heavy non-key in the bottoms) or distribute according

( FRC ) DIST =

N a CB

min

( FRB ) BOT N a CBmin 1 - ( FRB ) BOT

We can then use these extreme results (ie. the minimum possible number of trays and the minimum possible external reflux ra ratio required in a real column using the Gilliland correlation. A design value for L/D is first specified, usually as some factor of and 1.25). The following values are then calculated and fit to the correlation developed by Gilliland:

L x = Abscissa =

- L D D min L 1 D

y =

N - N min N 1
x ln A x B DIST = ln a AB z A z B

We can therefore solve for N as well as the optimum feed location in a real column, based on the N/Nmin scaling and the Fensk

N N F = N F , min N min

N F , min

Practically, the Fenske-Underwood-Gilliland approach gives rough, first-pass estimates of the number of stages required to per assumption of constant relative volatility can be inaccurate in some cases, particularly in columns with highly non-ideal compon

Stage-by-stage calculations can be performed graphically using the McCabe-Thiele method. In this approach, the y vs x VLE r eliminating the uncertainty regarding the constant relative volatility estimate. This means we need to perform dew or bubble po equilibrium data; in this spreadsheet, we use an ideal bubble point calculation to produce this data. The curve is then fit to a fo give us an algebraic expression for the y vs x equilibrium line, allowing us to calculate its intercepts with the other lines. On the Feed Line: y = A

q 1 xA z A, FEED q -1 1- q

yA =

L L xA 1 - xA,DIST V V

Top Operating Line:

yA =

L L xA 1 - xA,DIST V V
V V

Bottom Operating Line: y = L x 1 - L x A, BOT A A

We also plot the simple y=x line on the graph. A typical McCabe-Thiele plot is shown below (with the polynomial y vs x VLE fit)

Starting at the specified mole fraction of component A (the lighter component) in the distillate on the y=x line, we can step down equilibrium data curve and either the top or bottom operating lines as our step limits. The top operating line is used when the c the x value of the feed line - y vs x VLE curve intercept; the bottom operating line is used at mole fractions below the intercept. column with any specifications (ie. we are not limited to total reflux or minimum reflux). However, by setting L/V equal to one, w check that the Fenske calculation of Nmin is accurate. In the case of minimum reflux, we can obviously not plot an infinite numb method; however a "pinch point" will be visible on the graph in which the operating and equilibrium lines touch.

This spreadsheet will allow you to use both the Fenske-Underwood-Gilliland and the McCabe-Thiele approach to design distilla Cells highlighed in YELLOW require input from you Cells highlighted in BLUE require you to perform a manual GoalSeek procedure on that cell to get a converged solution

Cells with a red triangle in the upper right-hand corner have comments which will give you more information about what the var value for that variable.

D xi,DIST 1 L

V NFEED F zi q L

B xi,BOT

ng or outgoing flow. This minimum number of trays (N min) can be nts A and B or the fractional recoveries (FR) of components A and B oth the distillate and bottoms but recovered primarily in the distillate) overed primarily in the bottoms). The light and heavy keys are the component distillation problem:

FRB ) BOT 1 - ( FRB ) BOT ]

where

FRA DIST

FR B BOT

Dx A, DIST Fz A Bx A , BOT

Fz

ideal conditions) can be estimated as:

nents A and B (from Antoine's equation)

despite the fact that a range of temperatures are present on the ity; in this spreadsheet, the dew and bubble temperatures are

umber of trays

to the column and consequently reduce the total time an average s required to separate the components according to the column ations given below:

min

= V min - D

(3)

can then substitute this value into (2) to calculate Vmin. D can be recoveries of the components. L min can be calculated using equation , if solved in this fashion (ie. with a single value of f), it is required to nd lower than the light and heavy key components respectively) either s) or distribute according to the Fenske equation prediction:

possible external reflux ratio) to predict the number of trays and reflux usually as some factor of (L/D) min (typical values are between 1.05

Nmin scaling and the Fenske optimum feed prediction:

r of stages required to perform a given separation. However, the h highly non-ideal components and/or a large temperature range.

pproach, the y vs x VLE relationship is plotted directly on the graph, perform dew or bubble point calculations to generate the y vs x he curve is then fit to a fourth-order polynomial expression in order to ith the other lines. On the same graph, we plot three additional lines:

polynomial y vs x VLE fit)

=x line, we can step down the curves, using the y vs. x VLE ng line is used when the component A mole fraction is greater than tions below the intercept. This method can be used to design any setting L/V equal to one, we can use the McCabe-Thiele diagram to y not plot an infinite number of stages using the McCabe-Thiele es touch.

approach to design distillation columns.

onverged solution

mation about what the variable in the cell means or how to select a

ANTOINE EQUATION COEFFICIENTS

P
No.
*

= 10

B A T -C

Use the numbers in column B to choose your components in the subsequent spre

Substance 1 Acetaldehyde 2 Acetic Acid 3 Acetic Acid 4 Acetic Anhydride 5 Acetone 6 Acrylic Acid 7 Ammonia 8 Aniline 9 Benzene 10 n-Butane 11 i-Butane 12 1-Butanol 13 2-Butanol 14 1-Butene 15 Butyric Acid 16 Carbon disulfide 17 Carbon tetrachloride 18 Cholorobenzene 19 Cholorobenzene 20 Chloroform 21 Cumene 22 Cyclohexane 23 Cyclohexanol 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 n-Decane 1-Decene 1,1-Dicholoroethane 1,2-Dicholoroethane Dicholoromethane Diethyl ether Diethyl ketone Dimethylamine N,N-Dimethylformamide 1,4-Dioxane Ethanol Ethanolamine Ethyl acetate Ethyl chloride Ethylbenzene Ethylene glycol Ethylene oxide

Formula C2 H4 O C2 H4 O 2 C2 H4 O 2 C4 H6 O 3 C3 H6 O C3 H4 O 2 NH3 C6 H7 N C6 H6 n-C4H10 i -C4H10 C4H10O C4H10O C4 H8 C4 H8 O 2 CS2 CCl4 C6H5Cl C6H5Cl CHCl3 C9H12 C6H12 C6H12O n-C10H22

Range (C) -0.2 to 34.4 29.8 to 126.5 0 to 36 62.8 to 139.4 -12.9 to 55.3

A B 8.00552 1600.017 7.38782 1533.313 7.18807 1416.700 7.14948 1444.718 7.11714 1210.595 5.65204 648.629 7.55466 1002.711 7.32010 1731.515 6.89272 1203.531 6.82485 6.78866 943.453 899.617

C 291.809 222.309 225.000 199.817 229.664 154.683 247.885 206.049 219.888 239.711 241.942 173.427 168.279 228.066 255.189 241.593 226.409 224.000 216.000 227.400 207.701 223.148 226.232 194.738 197.056 229.060 222.927 252.616 228.799 214.192 221.667 196.434 240.337 226.184 173.368 217.000 238.612 213.091 203.454 334.765

7.36366 1305.198 7.20131 1157.000 6.53101 810.261 8.71019 2433.014 6.94279 1169.110 6.87926 1212.021 0 to 42 42 to 230 -30 to 150 7.10690 1500.000 6.94504 1413.120 6.90328 1163.030 6.93619 1460.310 6.84941 1206.001 6.25530 6.95707 6.95433 6.97702 7.02530 7.40916 6.92032 7.02529 7.08212 6.92796 7.43155 8.11220 7.45680 7.09808 6.98647 6.95650 8.09083 8.69016 912.866 1503.568 1497.527 1174.022 1271.254 1325.938 1064.066 1310.281 860.242 1400.869 1554.679 1592.864 1577.670 1238.710 1030.007 1423.543 2088.936 2005.779

19.6 to 93.4 -20 to 150 56.5 to 137.1

41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87

1,2-Ethylenediamine Formaldehyde Formic Acid Glycerol n-Heptane i -Heptane n-Hexane i -Hexane Hydrogen Cyanide Methanol Methyl acetate Methyl bromide Methyl choride Methyl ethyl ketone Methyl isobutyl ketone Methyl methacrylate Methylamine Methylcyclohexane Naphthalene Nitrobenzene Nitromethane n-Nonane 1-Nonane n-Octane i -Octane 1-Octene n-Pentane i -Pentane 1-Pentanol 1-Pentene Phenol 1-Propanol 2-Propanol Propionic acid Propylene oxide Pyridine Styrene Toluene 1,1,1-Trichloroethane 1,1,2-Trichloroethane Trichloroethylene Vinyl acetate Water1 Water2 m -Xylene o -Xylene p -Xylene

-20 to 140

0 to 60 60 to 150

7.16871 7.19578 7.58178 6.16501 6.90253 6.87689 6.88555 6.86839 7.52823 7.87863 7.06524 7.09084 7.09349 7.06356 6.67272 8.40919 7.33690 6.82827 7.03358 7.11562 7.28166 6.93764 6.95777 6.91874 6.88814 6.93637 6.84471 6.73457 7.18246 6.84268 7.13301 7.74416 7.74021 7.71423 7.01443 7.04115 7.06623 6.95805 8.64344 6.95185 6.95185 7.21010 8.10765 7.96681 7.00646 7.00154 6.98820

1336.235 970.595 1699.173 1036.056 1267.828 1238.122 1175.817 1151.041 1329.490 1473.110 1157.630 1046.066 948.582 1261.339 1168.408 2050.467 1011.532 1273.673 1756.328 1746.586 1446.937 1430.459 1437.862 1351.756 1319.529 1355.779 1060.793 992.019 1287.625 1043.206 1516.790 1437.686 1359.517 1733.418 1086.369 1373.799 1507.434 1346.773 2136.621 1314.410 1314.410 1296.130 1750.286 1668.210 1460.183 1476.393 1451.792

194.366 244.124 260.714 28.097 216.823 219.783 224.867 228.477 260.418 230.000 219.726 244.914 249.336 221.969 191.944 274.369 233.286 221.723 204.842 201.783 227.600 201.808 205.814 209.100 211.625 213.022 231.541 229.564 161.330 233.344 174.954 198.463 197.527 217.724 228.594 214.979 214.985 219.693 302.769 209.197 209.197 226.655 235.000 228.000 214.827 213.872 215.110

nts in the subsequent spreadsheets

TWO-COMPONENT DISTILLATION: ESTIMATION OF RELATIVE VOLATILITY

Parameters for Chosen Set of Components Component A 9 Benzene Benzene Component B 78 Toluene Toluene

Antoine's Equation Coefficients for A= 6.89272 B= 1203.531 C= 219.888 z1, FEED Partial Pressure P1*(T) 0.5

= 10

B T -C

Antoine's Equation Coefficients for A= 6.95805 B= 1346.773 C= 219.693 z2, FEED Partial Pressure P2*(T) 0.5

P * = 10

B A T -C

Benzene 50.000 C

Toluene 50.000

Temperature = 271.236 mm Hg

Temperature = 92.114 mm Hg

Component A should be the more volatile of the two components (higher P*(T) value) - switch the components if this is not the case.

Bubble Temperature (BUBBLE T) Calculation Pressure x1 TBP= PTOTAL= P1* P2* y1 y2 760 mm Hg 0.5 92.116 C 760.0000305 mm Hg 542.333 mm Hg 217.667 mm Hg 0.714 0.286 P1*+P2* 760.000 mm Hg Bubble T Equation: Benzene x2 0.5 Toluene

PTOTAL = x1 P (Tbp ) x2 P2 (Tbp ) 1

* *

Dew Temperature (DEW T) Calculation Pressure y1 TDP= Sxi x1 x2 760 mm Hg 0.5 98.777 C 0.9999 0.291 0.709 0 1 0 1 Dew T Equation: Benzene y2 0.5 Toluene

y1 PTOTAL y P 2 * TOTAL = 1 * P (Tdp ) P2 (Tdp ) 1

Estimate the Relative Volatility of the Two Components Average Temperature 95.446 C

a AB

P* = * P = A * yB P B PB P xB xA
Temperature = 483.585 mm Hg 0.405913146 95.446 C

yA

P*A

Partial Pressure P1*(T) Relative Volatility aAB

Temperature = 1191.350 mm Hg 2.46358121

95.446 C

Partial Pressure P2*(T) Relative Volatility aBA

Equilibrium Data - for y vs. x Operating Line on McCabe-Thiele Diagram Use Bubble T calculation approach: xA 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 PTOTAL 760.0001 759.9994 760.0006 760.0009 760.0001 760.0000 759.9991 760.0000 760.0000 760.0000 759.9999 T BP, C 110.6 106.1 102.1 98.5 95.1 92.1 89.3 86.8 84.4 82.2 80.1 yA 0.000 0.209 0.376 0.511 0.622 0.714 0.791 0.856 0.911 0.959 1.000

COLUMN DESIGN EQUATIONS - TWO COMPONENTS

Parameters for Chosen Set of Components Component A aAB aAA zA, FEED Quality of Feed (q) Basis Flow 9 2.46 1 0.5 0 10 mol/hr Benzene Benzene Component B aBB aBA zB, FEED 78 1 0.40650407 0.5 Toluene Toluene

Fenske Equation Problem A: Given: fractional recovery of A in distillate and B in bottoms Problem B: Given: mole fraction of A or B in distillate and bottoms product

( FRA ) DIST ( FRB ) BOT ln [1 - ( FRA ) DIST ][1 - ( FRB ) BOT ] N min = FRA, DISTILLATE 0.95 ln a AB Benzene
FRB, BOTTOM Nmin 0.95 6.542024892 Toluene

x xA ln A x x B DIST B BOT N min = xA, DISTILLATE 0.9792695 ln a AB Benzene

xB, BOTTOM Nmin Nmin, feed 0.99462004 10.0933788 1.56715475 Toluene

Underwood Equation VFEED f VFEED, TEST D VMIN LMIN (L/D)MIN 10 1.729996725 9.999893692 5 15.66431022 10.66431022 2.132862044

a AB Fz A a BB FzB = F (1 - q) a AB - f a BB - f a Dx a Dx Vmin = AB A, DIST BB B , DIST a AB - f a BB - f

VFEED =
Lmin = Vmin - D
Problem B: Given: mole fraction of A or B in distillate and bottoms product - calculate fractional recoveries FRA, DISTILLATE FRB, BOTTOM 0.9792695 0.99462004 Benzene Toluene

Problem A: Given: fractional recovery of A in distillate and B in bottoms - calculate mole fractions xA, DISTILLATE xB, BOTTOM Nmin, feed 0.95 0.95 3.271012446 Benzene Toluene

N F , min
Gilliland Correlation L/D Scaling L/D (actual) Abscissa [N-Nmin]/(N+1) Nactual Nmin, feed Nfeed, actual

x ln A x B DIST = ln a AB
1.5 3.199293067 0.253954893 0.40643362 11.70628719 3.271012446 5.853143595

z A z B

FRA DIST =

Bx A , BOT Dx A, DISTFR B BOT = Fz A Fz A

Abscissa =

D L 1 D N N F = N F ,min N min

- L

Gilliland Correlation under different Abscissa Ranges: 0<x<0.01 -3.716323299 [N-Nmin]/(N+1) min 0.01<x<0.9 0.40643362 0.9<x<1 0.123806185

McCABE-THIELE DIAGRAMS FOR SOLVING DISTILLATION PROBLEMS

Parameters for Chosen Set of Components Component A zA, FEED xA,DIST xA,BOT L/D L/V Quality of Feed (q) Basis Flow T 1.00 0 10 mol/hr 9 0.5 0.95 0.05 Type "T" for total reflux Benzene Benzene Component B zB, FEED xB,DIST xB,BOT 78 0.5 0.05 0.95 Toluene Toluene

y vs. x Equilibrium Relationship Use Bubble T calculation approach: xA 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 yA 0.000 0.209 0.376 0.511 0.622 0.714 0.791 0.856 0.911 0.959 1.000

PTOTAL = x1 P (Tbp ) x2 P2 (Tbp ) 1

* *

The y vs x values are automatically entered into this table if you've solved the bubble T calculation using the Ideal T - 2 cpts worksheet

yA 0.000 0.208 0.376 0.512 0.622 0.713 0.790 0.855 0.911 0.959 1.000

Polynomial Fit: Input these coefficients yourself from graph:

yA = Ax4 Bx3 Cx2 Dx E

A= B= C= D= E= -0.4811 1.6316 -2.4594 2.3081 0.0004

Feed and Operating Lines FEED LINE Slope Intercept TOP OPERATING LINE Slope Intercept BOTTOM OPERATING LINE x1 y1 x2 y2 Slope Intercept

0 0.5

1.00 0.00

0.5 0.5 0.05 0.05 1 0

q 1 yA = xA z A, FEED q -1 1- q
xA 0 0.1 0.2 0.3 0.399999 0.4 0.400001 0.5 0.6 0.7 0.8 0.9 1 yA 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5

L L yA = xA 1 - xA,DIST V V
xA 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 yA 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

yA =
xA 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

L V

L x A 1 - x A, BOT V
yA 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

Feed Line/VLE Intercept If q is not 1: y difference xA yA Appropriate Intercept Value: xA yA 0.000 0.291 0.500236532 0.290748919 0.500236532 If q is equal to 1: xA yA 0.500 0.71348125

Stepping off Stages Keep copying the four-row block at the end (ie. A134-->F137) until you have found the total number of equilibrium trays TRAY NUMBER Variable Starting Point: xA,DIST yA 1 Step Down 1 2 Step Down 2 3 Step Down 3 4 Step Down 4 5 Step Down 5 6 Step Down 6 7 Step Down 7 8 Step Down 8 9 Step Down 9 10 Step Down 10 11 Step Down 11 12 Step Down 12 13 Step Down 13 14 Step Down 14 15 Step Down 15 xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA xA yA Value 0.95 0.95 0.879 Keep Counting Stages 0.950088591 0.879 0.87944141 0.742 Keep Counting Stages 0.879481526 0.742 0.741684501 0.535 Keep Counting Stages 0.741697895 0.535 0.534965049 0.320 Keep Counting Stages 0.535172561 0.320 0.319661922 0.164 Keep Counting Stages 0.320055752 0.164 0.164262605 0.077 Keep Counting Stages 0.164373935 0.077 0.077053158 0.034 Last Required Stage 0.076063534 0.034 0.033984959 0.032 Calculation Complete 0.071169663 0.032 0.031710584 0.014 Calculation Complete 0.031637437 0.014 0.013732965 0.012 Calculation Complete 0.027155113 0.012 0.011737495 0.005 Calculation Complete 0.011063038 0.005 0.004642731 0.002 Calculation Complete 0.004636466 0.002 0.001839077 0.001 Calculation Complete 0.001822407 0.001 0.000616673 0.000 Calculation Complete 0.00059561 0.000 8.4757E-05 0.000 Calculation Complete 6.18536E-05 0.000 -0.000146481 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required 6.628146954 Equilibrium Trays Required More Equilibrium Trays Required More Equilibrium Trays Required More Equilibrium Trays Required More Equilibrium Trays Required More Equilibrium Trays Required More Equilibrium Trays Required x 0.95 0.879 0.879 0.742 0.742 0.535 0.535 0.320 0.320 0.164 0.164 0.077 0.077 0.034 0.034 0.032 0.032 0.014 0.014 0.012 0.012 0.005 0.005 0.002 0.002 0.001 0.001 0.000 0.000 0.000 0.000 y 0.95 0.950089 0.879441 0.879482 0.741685 0.741698 0.534965 0.535173 0.319662 0.320056 0.164263 0.164374 0.077053 0.076064 0.033985 0.07117 0.031711 0.031637 0.013733 0.027155 0.011737 0.011063 0.004643 0.004636 0.001839 0.001822 0.000617 0.000596 8.48E-05 6.19E-05 -0.00015

xD line 0.95 0.95 xB line 0.05 0.05

0 1

0 1

1.0

0.8

0.6 yA 0.4 0.2 0.0 0.0 0.1 0.2 0.3 0.4 0.5 xA
xA,BOT

0.6

0.7

0.8

0.9

1.0

y vs. x VLE Polynomial Fit:

y = x Line

y = -0.4811x4 + 1.6316x3 - 2.4594x2 + 2.3081x + 0.0004

Top Operating Line Bottom Operating Line

xA,DIST Feed Line

VLE Equilibrium Line

THRE-COMPONENT DISTILLATION: ESTIMATION OF RELATIVE VOLATILITY

Parameters for Chosen Set of Components LIGHT KEY COMPONENT Component A HEAVY KEY COMPONENT Component B NON-KEY COMPONENT Component C

78

Toluene Toluene

21

Cumene Cumene

Benzene Benzene

Antoine's Equation Coefficients for A= 6.95805 B= 1346.773 C= 219.693 z1, FEED Partial Pressure P1*(T) 0.3

P * = 10

B A T -C

Antoine's Equation Coefficients for A= 6.93619 B= 1460.31 C= 207.701 z2, FEED 0.3

P * = 10

B A T -C

Antoine's Equation Coefficients for A= 6.89272 B= 1203.531 C= 219.888 z1, FEED Partial Pressure P1*(T) 0.4

P * = 10

B A T -C

Toluene 50.000 C

Cumene 50.000

Benzene 50.000 C

Temperature = 92.114 mm Hg

Partial Pressure P2*(T)

Temperature = 18.600 mm Hg

Temperature = 271.236 mm Hg

Bubble Temperature (BUBBLE T) Calculation Pressure x1 TBP= PTOTAL= P1* P2* P3* y1 y2 y3 760 mm Hg 0.3 100.306 C 759.9999997 mm Hg 168.459 mm Hg 47.006 mm Hg 408.401 0.270 0.075 0.655 P1*+P2* 623.866 mm Hg Bubble T Equation: Toluene x2 0.3 Cumene x2 0.4 Benzene

PTOTAL = x 1 P1 (T bp ) x 2 P2 (T bp ) x 3 P3 (T bp )
* * *

Dew Temperature (DEW T) Calculation Pressure y1 TDP= Sxi x1 x2 x3 760 mm Hg 0.3 123.942 C 1.0000 0.208 0.668 0.123 Dew T Equation: Toluene y2 0.3 Cumene y3 0.4 Benzene

y1P yP yP TOTAL 2* TOTAL 3* TOTAL = 1 * P (Tdp ) P (Tdp ) P (Tdp ) 1 2 3

Estimate the Relative Volatilities of the Two Components Average Temperature 112.124 C

yA

a AB =

xA xB

yB

P*A P*B

* P = PA * PB

Partial Pressure P1*(T) Relative Volatility aAB Relative Volatility aAA

Temperature = 792.987 mm Hg 3.380987833 1

112.124 C

Partial Pressure P2*(T) Relative Volatility aBB Relative Volatility aBA

Temperature = 234.543 mm Hg 1 0.295771546

112.124 C

Partial Pressure P2*(T) Relative Volatility aCB Relative Volatility aCB

Temperature = 1852.492 mm Hg 7.898303479 2.336093434

112.124 C

COLUMN DESIGN EQUATIONS - MULTIPLE COMPONENTS

Parameters for Chosen Set of Components LIGHT KEY COMPONENT Component A 78 HEAVY KEY COMPONENT Component B

Toluene

aAB aAA zA, FEED Quality of Feed (q) Basis Flow

3.380987833 1 0.3 0 100 mol/hr Toluene

aBB aBA zB, FEED

Fenske Equation In a multicomponent system, fractional recoveries are usually specified: FRA, DISTILLATE FRB, BOTTOM Nmin FRC, DISTILLATE 0.95 0.95 4.918422512 0.999268885 Toluene Cumene

N min

( FRA ) DIST ( FRB ) BOT ln [1 - ( FRA ) DIST ][1 - ( FRB ) BOT ] = ln a AB

N a CB
min

( FRC ) DIST =

( FRB ) BOT N a CBmin 1 - ( FRB ) BOT

Underwood Equation VFEED f VFEED, TEST D VMIN LMIN (L/D)MIN xA, DISTILLATE xB, BOTTOM xC, DISTILLATE Nmin, feed 100 0.601086982 99.99999928 69.97075542 123.8095202 53.83876475 0.76944667 0.407313024 0.949074823 0.571249448 2.41710434 Toluene Cumene Benzene

VFEED =

V min

a AB FzA a BB FzB aCBFzC = a AB - f a BB - f aCB - f a AB Dx A , DIST a BB Dx B , DIST = a AB - f a BB - f

L min = V min - D

FR A DIST

Dx A, DIST Fz A

Gilliland Correlation L/D Scaling L/D (actual) Abscissa [N-Nmin]/(N+1) 1.25 0.961808337 0.098053242 0.487836156

Abscissa =

- L D D min L 1 D

Gilliland Correlation under different Abscissa [N-Nmin]/(N+1)

Nactual Nmin, feed Nfeed, actual

10.55572104 2.41710434 5.187492346

N N F = N F ,min N min

HEAVY KEY COMPONENT 21

Cumene

NON-KEY COMPONENT Component C 9

Benzene

1 0.29577155 0.3 Cumene

aCB aCA zA, FEED

7.89830348 2.33609343 0.4 Benzene

N min

( FRA ) DIST ( FRB ) BOT ln [1 - ( FRA ) DIST ][1 - ( FRB ) BOT ] = ln a AB

N a CB
min

( FRC ) DIST =

( FRB ) BOT N a CBmin 1 - ( FRB ) BOT

VFEED =

min

a AB FzA a BB FzB aCBFzC = F (1 - q) a AB - f a BB - f aCB - f a AB Dx A , DIST a BB Dx B , DIST a CB Dx C , DIST = a AB - f a BB - f a CB - f

= V min - D
x ln A x B DIST = ln a AB z A z B

min

N F , min

FR A DIST =

Dx A, DIST Fz A

FR B BOT

Bx A , BOT Fz A

Gilliland Correlation under different Abscissa Ranges: 0<x<0.01 -0.820995782 0.01<x<0.9 0.487836156 0.9<x<1 0.149678065