Introduction Chapter one Acetone production

Ministry of Higher Education

and Scientific Research
Al-Muthanna University
Engineering College
Chemical Engineering Department

(10,000 TON/YEAR)
Research Project
Submitted to the Faculty of Engineering college /Chemical
Engineering Department in Partial of Fulfillment of the
Requirements for the Degree of Bachelor in Chemical
Engineering

Supervised by: Assist. Prof. Ihsan H. Dakhil

Prepared by:
Hadi Mohammed Jabbar Karar Ali Kazem

Ahlam Shallal Dreeowil Zahraa Saad abdul hussaain

Mustafa Saad jassim

Introduction Chapter one Acetone production

Chapter one: introduction

Content page

Chapter one
1.1 introduction…………………………………… 1
1.2 Physical Properties…………………………..... 3
1.3 Chemical Properties …………………………… 4
1.4 Production methods……………………………. 7
1.5 Uses…………………………………………….. 12
1.6 Production rates………………………………. 13
1.7 Environmental pollution……………………… 15
Introduction Chapter one Acetone production

CHAPTER
ONE
INTRODUCTION
Introduction Chapter one Acetone production

1.1 Introduction
Acetone is the simplest ketone and one of the most abundant volatile organic
compounds in the atmosphere,. Formulation and production of other chemicals can
account for up to 75 percent of all uses of acetone. Acetone is a volatile organic
compound that is considered to have low toxicity, though improper use of it can
cause serious problems. There are a number of uses for acetone, including in
chemicals, solvents and nail polish remover. The most common use of acetone is to
formulate other chemicals. Beyond chemicals and solvents, other uses for acetone
exist in the production of cosmetics and household and personal care products.
Acetone is classified as a low-toxicity It easily evaporates in the air, dissolves in
water and is highly flammable. Chemical manufacturers can produce acetone,
although it also can be found in the environment as a naturally occurring substance.
However, by the late 1950s routes to produce solvents from petroleum were made
cost-competitive with fermentation In addition, the major feedstock at the time was
molasses, which spiked in price because of animal feed demand. Acetone is
typically produced in commercial quantities as a by-product during the formation of
phenol. However, acetone manufactured thus generally contains small amounts of
the reactant benzene and the desired product phenol In the past, these impurities
were deemed to be within allowable limits. Acetone is also called 2-propanone ,
beta-ketopropane . propan-2-one and dimethyl ketone
.
1.1.1 Historical Background:
In 1914, acetone was manufactured by the dry distillation of calcium acetate,
which was obtained by neutralizing pyroligneous acid (wood distillate) with
lime and evaporating to dryness. In 1914, new methods of manufacture were
explored. Calcium acetate by fermentation of alcohol or from acetylene.
However, this method could not compete with the fermentation process
developed by Weizmann and Hamlyn for the conversion of carbohydrate
(cornstarch or molasses) to acetone and butyl and ethyl alcohol by use of a
special bacillus. Publicker Industries, Commercial Solvents, and National
Distillers, at one time, had combined bio-fermentation process acetone
capacity of 22,700 metric tons per year. This method, in turn, became non-
competitive in the late 1950s and early 1960s owing to the economics of
scale of the cumene hydro-peroxide-to-phenol and the isopropyl alcohol
dehydrogenation processes. Production of acetone by dehydrogenation of
isopropyl alcohol actually began in the early 1920s. It remained the
dominant production method through the sixties, in 1976, 60% of United
Introduction Chapter one Acetone production

States acetone capacity was based on cumene hydroperoxide. In 1974, about

65% of the acetone produced was via the cumene hydro-peroxide process.
The process for direct oxidation of propylene to acetone was developed in the
early to middle1960s by Waker Chemie. However, this technology is not
known to be in use in the United States .In the middle
1960s, virtually all United States acetone was produced from propylene. The
two important routes in the United States to acetone are cumene
hydroperoxide cleavage and dehydrogenation of isopropyl alcohol. An
undefined minor portion of the acetone from isopropyl alcohol is produced
by catalytic oxidation.
Introduction Chapter one Acetone production

1.2-Physical properties
Acetone is Colorless and flammable liquid with a mildly pungent and somewhat
aromatic odor, It is miscible in all proportions with water and with organic solvents
such as ether, methanol, ethyl alcohol, and esters, a list of physical properties of
acetone are shown in following tabel
Table(1.1).are from sources[ (1.4),(1.5)] at the list of reference at end of this chapter
Formula C3H6O
Melting point,℃ -94.6
Appearance Colorless liquid
Molar mass, g.𝑚𝑜𝑙 − 1 58.08
Density, g.𝑐𝑚−1 0.791
Viscosity at 10 ℃ ,mPa.s 0.36
Flash point ℃ -20
Boiling point at 1 atm, ℃ 56.1
Specific heat of liquid, J/g.K 2.6
Electrical conductivity at 25℃ , S/Cm 5.5*10−8
Heat of Vaporization, kJ/mol 29.1
Specific heat of vapor, J/(mol.K) 92.1
Heat of combustion of liquid, kJ/mol 1787
Heat of formation gas at 25℃ , kJ/mol -216.5
Heat of formation liquid at 25℃ , kJ/mol -248
Entropy of liquid at 298.15K , J/K 200.1
Acidity 19.2
Basicity -5.2
Explosive limits (2.6-12.8)%
Molar entropy, J/mol.K 200.4
Introduction Chapter one Acetone production

1.3-Chemical properties:
Acetone may react violently and sometimes explosively, especially in a confined
vessel, For example it is particularly sensitive to oxidizing agents Mixtures of
acetone with chloroform [may react violently in the presence of alkali.
Acetone has the following physical Properties:
1.3.1-Iodoform test: It consists of iodine and sodium hydroxide and interacts
with acetone as it gives a yellow precipitate of iodform (CHI3)

O O
𝑵𝒂𝑶𝑯
CH3 C H +I2 → Na+ O C H + CH3

1.3.2-Oxidation of acetone under special conditiosns:

Ketones do not oxidize under normal conditions but their oxidation requires
Special conditions where they can be oxidized by strong oxidizing agents such
as (KMno4)alkali or chromic acid or concentrated nitric acid to give
carboxylic acids With fewer cobron atoms than ketone itself. formed into a
more stable compound in the Wresence of an increase in alcohol

1.3.3-Adding alcohol to acetone:

When adding alcohol to acetone, an unstable product called a half-ketal
(Hemiketal) is Formed into a more stable compound in the presence of an
increase in alcohol
OH OCH3

𝑯𝑪𝑳
CH3 C CH3+CH3OH⇔ CH3 C CH3+H2O

OC2H5 OC2H5
1.3.4-Adding chloroform to acetone:
Chloroform (CHCl3) is added to the carbonyl group in acetone in the presence of
sodium Hydroxide which called Chloretone is used as a catalyst and anesthetic.

𝑲𝑶𝑯
𝐂𝐇𝟑𝐂𝐎𝐂𝐇𝟑 + 𝐂𝐇𝐂𝐥𝟑 → 𝐂𝐇𝟑𝐂𝐂𝐋𝟑𝐎𝐇𝐂𝐇𝟑
Introduction Chapter one Acetone production

1.3.5-Addition of ammonia derivatives to acetone:

A-Interacting with (Hydroxyl amine) produces compounds known as Oximes:
𝑯+
𝐂𝐇𝟑𝐂𝐎𝐂𝐇𝟑 + 𝐇𝐍𝟐𝐎𝐇 → 𝐂𝐇𝟑𝐂𝐇𝐍𝐎𝐇 + 𝐇𝟐𝐎

B-Interaction with (dinitrophenyl hydrazine ):

1.3.6-Addition of sodium hydrogen sulfite to acetone:

the acetone interacts with a saturated aqueous solution of (NaHso3) to give salts as
addition products separated from solutions and these salts can fill in an acidic or
basic medium to give back carbonyl compounds so the formation of such salts and
then their hydration is considered A good way to purify and separate carbonyl
compounds
𝑲𝑶𝑯
𝐂𝐇𝟑𝐂𝐎𝐂𝐇𝟑 + 𝐍𝐚𝐇𝐒𝐎𝟑 ↔ 𝐂𝐇𝟑 𝐒𝐎𝟑 𝐍𝐚𝐇𝐂𝐎𝐇

1.3.7-Addition of Crenard reagent to acetone:

The addition of Crenard reagent to acetone is used in the preparation of
alcohols from carbonyl compounds
O OMgBr OH
𝑯𝟐 𝑶
CH3 C CH3 + CH3MgBr CH3 C CH3 → CH3 C CH3 + Mg(OH)Br
CH3
Introduction Chapter one Acetone production

1.3.8-The interaction of acetone with sulfuric acid:

the acetone is converted to (Mesitylene), where it is believed that this
condensation between the acetone molecules occurs in the first step in which
the (Mesitylene) process of the oxygen atom in the carbonyl group is
performed.

1.3.9-Halogens interact with acetone:

halogens interact by substituting with ketones that contain alpha hydrogen and
if the halogen concentration is high then all alpha hydrogen atoms are replaced
O O
𝑪𝑯𝟑𝑪𝑶𝟐𝑯
CH3 C CH3 + 3Cl2 → Cl3C C CCl3 + 3H2O
Introduction Chapter one Acetone production

1.5-Production of acetone:
In the production of acetone different methods are presented, of which three are
outstanding:
1- Cumene process
2-Direct Oxidation of propylene (Wacker – Hoechstprocess)
3-Dehydrogenation of Isopropyl

1.5.1-The Cumene process:- is the most common worldwide, Propene is added

to benzene to form cumene which is then oxidized by air to cumene hydroperoxide
and cleaved in the presence of an acid catalyst Phenol and acetone produced in the
process are recovered by distillation
OOH

CH3CHCH3 CH3CCH3 OH O

𝑪𝒂𝒕𝒂𝒍𝒚𝒔𝒕 𝐎𝟐 𝑯+
+ CH2=CHCH3 → → → +

CH3CCH3

the cumene produced is purified by chemical means and refined by distillation to

99.9 % minimum purity ,the cumene oxidation processes are used in the United
States, which with minor variations are practiced also in the rest of the world.

Fg(1.1) Production of acetone by oxidation of Cumene

Introduction Chapter one Acetone production

1.5.2-Direct oxidation of propylene (Wacker – Hoechstprocess):- currently

is practiced only in Japan. A mixture of acetone (92 % selectivity) and
propionaldehyde (2 – 4 % selectivity) is produced

𝟏 𝑪𝒂𝒕𝒂𝒍𝒚𝒔𝒕
CH3CH=CH2+ O2→ CH3COCH3+CH3CH2CHO
𝟐

The process is analogous to the oxidation of ethylene to acetaldehyde by the

Wacker process. The catalyst solution typically contains 0.045M palladium (II)
chloride, 1.8M copper (II) chloride, and acetic acid . The reaction usually is carried
out in two alternating stages. In the first stage, air is used to oxidize the metal ions
to the +2 oxidation state. In the second, air is removed and propene added.
Palladium (II) oxidizes propene, and the resulting palladium (I) is re oxidized by
the pool of copper(II). Reaction conditions are 1 – 1.4MPa (10 – 14 bar) and 110 –
120 ◦C, The oxidation of propenee has a low conversion of acetone and the purity
of the reactants should be 99%.

Fg(1.2) ) Production of acetone by direct oxidation of propylene

Introduction Chapter one Acetone production

1.5.3-Dehydrogenation of isopropanol:-
The other process of commercial importance in the production of acetone is the
catalytic dehydrogenation of isopropanol. The reactions endothermic
𝐇𝟐𝐎
CH3CH=CH2 → CH3CH(OH)CH3 CH3COCH3 + H2
The equilibrium of the dehydrogenation reaction is shifted
to acetone by increasing temperature.
At 325 (97%) conversion is theoretically possible. A large number of
catalysts for the reaction have been investigated these include: copper, silver,
platinum, and palladium metal These catalysts are made with inert supports
and are used at (400 ℃ -600 ℃) lower temperature reactions (315 ℃-482
℃) have been successfully conducted using zinc oxide –zirconium oxide
combinations, copper. Chromium oxide combinations and combinations of
copper and silicon dioxide. The isopropanol feed may contain up to 12%
water without seriously affecting dehydrogenation to the ketone ratio of
hydrogen to decrease catalyst fouling in this process at an operating
temperature of 380 conversion started at 98% per pass with fresh catalyst but
drops to point where catalyst regeneration is necessary after 10 days. At this
point organic material on the catalyst is burned using a mixture of 2% O2
and 98% N2 Each batch catalyst has a life of about 6 months it is usual
practice to raise the temperature of the reactor as time proceeds to
compensate for the loss of catalyst activity When brass spelter is used as a
catalyst it has been found necessary to remove the catalyst at intervals of
(500-1000) hr. and to treat it with a minerals acid to regenerate catalytically
active surface When( 6-12)% Zirconium oxide is added to zinc oxide catalyst
life is a said to be minimum of 3 months. dehydrogenation is carried out in a
tubular reactor. Conversions are in the range of 75%- 95% A process
described by shell international research is a useful two stage reaction to
attain high conversion with lower energy cost and lower capital costs. The
first stage uses a tubular reactor at 420 -550 to convert up to 70% of the
alcohol to acetone. The second stage employs a unheated fixed bed reactor
with the same catalyst used in the tube reactor to complete the conversion at
about 85%. The selectivity of isopropyl alcohol to acetone vapor phase
Introduction Chapter one Acetone production

dehydrogenation is high, there are a number of by products that must be

removed from the acetone. The hot reactor effluent contains a converted
isopropyl alcohol and hydrogen, and is also may contain propylene,
polypropylene, acetaldehyde, and many other hydrocarbons and carbon
oxides. The mixture is cooled and the non-condensable gases are scrubbed
with water if desired, because the resultant gas stream is mainly hydrogen
part of it can be recycled to control catalyst fouling. The liquid are
fractionally distilled taking acetone overhead and mixture of Isopropyl
alcohol and water as bottoms.
Introduction Chapter one Acetone production

Fg(1.3) Production of acetone by dehydrogenation of isopropanol

Introduction Chapter one Acetone production

We choose dehydrogenation of isopropanol process for following

reasons :-
1-The dehydrogenation of isopropanol process is less expensive compare with
cumene process which it quite expensive
2- The dehydrogenation of isopropanol process required fewer number of
equipments which it quite required more equipments
3- The dehydrogenation of isopropanol process has a low conversion of acetone
compare with Direct Oxidation of propylene process.
4- In the dehydrogenation of isopropanol process the major product is only acetone
,if we compare it with product of :
A - Cumene process:- the major product is phenol, and the acetone is a byproduct.
B - Direct Oxidation of propylene process:- the product consist of propionaldehyde
and acetone
Introduction Chapter one Acetone production

1.6-Uses of acetone:
Acetone has a wide applications in chemical industry :
1.6.1- As a solvent :
1-Used in laboratory bottles made of polystyrene, polycarbonate and some
types of polypropylene.
2-Used for thinning fiberglass resin; paint, vinyl, adhesives and varnishes.
3-Can be used to dissolve epoxies and glue before and after it sets.
4- It is also used to dissolve hazardous chemical spills, as a degreaser and as
a cleaner.
5- It’s also used as a volatile component in some paints and varnishes.
Although it’s itself flammable, is used extensively as a solvent for the safe
transporting and storing of acetylene which cannot be safely pressurized as a
pure compound.

1.6.2-Cosmetic uses:
Acetone has a long history in the cosmetic industry. It is commonly used in
nail
polish remover and in chemical peels. It is also used by make-up artists to
remove skin glue on wigs
1.6.3-Medicinal uses:
Acetone is used in a variety of general medical applications and is also listed
as a component in food additives and food packaging. Dermatologist’s
offices use acetone with alcohol for acne treatments to peel dry skin.

1.6.4-Domestic and other niche uses:

1-Component in cleaning agents such as nail polish remover .
2-Component of super glue remover and easily removes residues from glass and
porcelain.
3-Used as an artistic agent, when rubbed on the back of a laser print or photocopy
placed face-down on another surface and burnished firmly, the toner of the image
transfers to the destination surface
4-Acetone can also be used in combination with automatic transmission fluid to
create an effective penetrating oil.
Introduction Chapter one Acetone production

1.7 Production rates

Due to highly demand of acetone in the petrochemical companies over worldwide.
It leads to increase the annual production capacity . The production capacity in the
worldwide is shown in Tables [(1.2) ,(1.3),(1.4),(1.5)], (are from sources (1.3) at the
list of reference in the end of this chapter)

Table(1.2) This table shows the increasing in production capacity of acetone in Asia from

Region
1995 to 2019 1995 2019
capacity , 103tone/year Capacity ,103tone/year
Asia excluding china 271.4 2270
China 475 1400

Table (1.3) This table shows the increasing in production capacity of acetone in United states and
Europe from 1995 to 2019

Region 1995 2019

capacity , 103tone/year capacity , 103 tone/year
United States 1203 3148

Europe 1200 1409

Introduction Chapter one Acetone production

Table (1.4) This table shows the production capacity of acetone in some region in United
states 3
Region capacity , 10 tone/year

Philadelphia, 490
Haverhill, Ohio 165
Bayport, Texas 62
Blue Island, Illinois 27
Deer Park, Texas 355
Frankford, Pennsylvania 310
Mount Vernon, Indiana 210
Freeport, Texas 180

Table (1.5) This table shows the production capacity of acetone in some region in Europe

Region capacity , 103tone/year

Huelva, Spain 220

Gladbeck, Germany 395
Plock, Poland 21
Ufa, Russia 45
Antwerp, Belgium 310
Theodore, Alabama, US 250
Porto Torres, Italy 136
Introduction Chapter one Acetone production

1.8 -Environmental effects

Acetone evaporates rapidly, even from water and soil. Once in the atmosphere, it is
degraded by UV light with a 22-day half life. Acetone dissipates slowly in soil,
animals, or waterways since it is sometimes consumed by Microorganisms;
however, it is a significant issue with respect to groundwater contamination due to
its high solubility in water. The LD50 of acetone for fish is 8.3 g/l of water (or about
0.8%) over 96 hours, and its environmental half-life is about 1 to 10 days. Acetone
may pose a significant risk of oxygen depletion in aquatic systems due to the
microbial activity consuming it

.
Introduction Chapter one Acetone production

References that used in chapter one

1.1 Ullman’s Encyclopedia of industrial
1.2 Petrochemical process volume
1.3 http://www.academia. edu
1.4 National Institute for Occupational Safety and Health (NIOSH)
1.5 Chemical Abstracts Services(CAS)
Material Balance Chapter Two Acetone production

Chapter Two
Material Balance
Calculations
Material Balance Chapter Two Acetone production

2-Material Balance:
2.1-Introduction:
Material balance are important first step when designing a new process or analyzing
an existing one . They are almost always prerequisite to all other calculations in the
solution of process engineering problems. Material balances are nothing more than
the application of the law of conservation of mass. which states that mass can
neither be created nor destroyed. Thus. You cannot. for example, specify an input to
a reactor of one ton of naphtha and an output of two tons of gasoline or gases or
anything else. One ton of total material input will only give one ton of total output,
i.e. total mass of input = total mass of output. A material balance is an accounting
for material. Thus, material balances are often compared to the balancing of current
accounts. They are used in industry to calculate mass flow rates of deferent streams
entering or leaving chemical or physical processes .

2.2-The general Balance Equation:

A balance (or inventory) on a material in a system (a single process unit,
a collection of units, or an entire process) may be written in the following
general way:

Input + generation - output - consumption = accumulation

This general balance equation may be written for any material that enters or leaves
any. process system; it can be applied to the total mass of this material or to any
molecular or atomic species involved in the process. The general balance equation
may be simplified according to the process at hand. For example , by definition , the
accumulation term for steadystate continuous process is zero.

Thus the above equation becomes :

in put + generation = output + consumption

For physical process, since there is no chemical reaction, the generation and
consumption terms will become zero, and the balance equation for steady-state
physical process will be simply reduced to:
Input = output
Material Balance Chapter Two Acetone production

2.3-Material Balance around process units :

𝑡𝑜𝑛 𝑘𝑔 1 𝑦𝑒𝑎𝑟 1 𝑑𝑎𝑦 1 𝑘𝑚𝑜𝑙
Production Rate : =10000 *1000 ( )* ( )* ( ) * ( )
𝑦𝑒𝑎𝑟 𝑡𝑜𝑛 335 𝑑𝑎𝑦 24 ℎ𝑟 58 𝑘𝑔
𝑘𝑚𝑜𝑙
Production Rate = 21.445
ℎ𝑟

For (99% purity)

1year=365 day

Work=335 day

Shut down=30 day

Production Rate = 21.445 * 0.99

𝑘𝑚𝑜𝑙
Production Rate = 21.23
ℎ𝑟

The feed consist of 88% of I-propyl-alcohol and 12% water

2.3.1-Reactor:

IPA
4
H2O R 2
E
A Acetone
C
5 H2
T
O
H2O
R - -
IPA

𝐶𝐻3 𝐶𝐻𝑂𝐻𝐶𝐻3 → 𝐶𝐻3 𝐶𝑂𝐶𝐻3 + 𝐻2

conversion = 85%
𝑘𝑚𝑜𝑙
Number of moles of IPA (react ) = 21.23
ℎ𝑟

𝑘𝑚𝑜𝑙
Number of moles of H2 (product) = 21.23
ℎ𝑟
Material Balance Chapter Two Acetone production

𝑞𝑢𝑎𝑛𝑡𝑖𝑡𝑦 𝑜𝑓𝑡ℎ𝑒 𝐼𝑃𝐴 𝑡ℎ𝑎𝑡 𝑟𝑒𝑎𝑐𝑡

% conversion = * 100
𝑞𝑢𝑎𝑛𝑡𝑖𝑡𝑦 𝑜𝑓 𝑡ℎ𝑒 𝐼𝑃𝐴 𝑡ℎ𝑎𝑡 𝑖𝑛𝑝𝑢𝑡 𝑡𝑜 𝑡ℎ𝑒 𝑟𝑒𝑎𝑐𝑡𝑜𝑟

21.23
0.85 =
𝑞𝑢𝑎𝑛𝑡𝑖𝑡𝑦 𝑜𝑓 𝑡ℎ𝑒 𝑠𝑢𝑏𝑠𝑡𝑎𝑛𝑐𝑒 𝑡ℎ𝑎𝑡 𝑖𝑛𝑝𝑢𝑡 𝑡𝑜 𝑡ℎ𝑒 𝑟𝑒𝑎𝑐𝑡𝑜𝑟

𝑘𝑚𝑜𝑙
Number of moles of IPA input to reactor = 24.976
ℎ𝑟

The feed consist of 88% of I-propyl-alcohol and 12% water

Number of moles of IPA input to reactor = 88% (Feed)

24.976 = 0.88*F
𝑘𝑚𝑜𝑙
F = 28.382
ℎ𝑟

Number of moles of water in feed = 12% (feed)

Number of moles of water in feed = 0.12 *(28.382 )

𝑘𝑚𝑜𝑙
Number of moles of water in feed = 3.406
ℎ𝑟

𝑘𝑚𝑜𝑙
%𝐸𝑥𝑐𝑒𝑠𝑠 = 0.2 × 𝑓𝑒𝑒𝑑 = 0.2 × 3.406 = 0.6812
ℎ𝑟
𝑊𝑎𝑡𝑒𝑟𝑇 = 3.406 + 0.6812 = 4.0872 𝑘𝑚𝑜𝑙/ℎ𝑟

Number of moles of IPA (unreacted) = IPA (input) - IPA (reacted)

𝑘𝑚𝑜𝑙
Number of moles of IPA (unreacted) = 3.746
ℎ𝑟

𝑘𝑚𝑜𝑙
Number of moles of acetone product = 21.23
ℎ𝑟

𝑘𝑚𝑜𝑙
Number of moles of H2 (product) = 21.23
ℎ𝑟

Ntotal = 4.0872 + 21.23 + 21.23 + 3.746

𝑘𝑚𝑜𝑙
Ntotal = 50.2932
ℎ𝑟
Material Balance Chapter Two Acetone production

𝑁𝑖
Concentration of products ( xi = )
𝑁𝑡

Concentration of acetone
21.23
xi = = 0.4221
50.2932

Concentration of hydrogen
21.23
xi =50.2932 = 0.4221

Concentration of IPA
3.746
xi =50.2932 = 0.0744

Concentration of water
4.0872
xi =50.2932 = 0.0812

Components (N) kmol / h

Acetone 21.23
Hydrogen 21.23
Water 4.0872
IPA 3.746

Components (N) kg / h
Acetone 1231.34
Hydrogen 21.23
Water 73.5696
IPA 224.76
Material Balance Chapter Two Acetone production

2. 3.2 Flash unit:

Acetone

8 IPA

H2O

H2

Acetone

IPA 7

H2O

H2
Acetone
9 IPA

H2O

At the bubble point (T = 81℃)

And Pressure = 1.724 bar
Assume that there's no change in temperature and pressure .
𝒑𝒊 𝒚𝒊
𝐊𝐢= = = , T = 81 ℃
𝒑𝒕 𝒙𝒊

The vapor pressure can be calculated by using Antoine equation

𝑩
𝐥𝐨𝐠 𝟏𝟎 𝒑 = 𝑨 + + 𝑪 𝐥𝐨𝐠 𝟏𝟎 𝑻 + 𝑫𝑻 + 𝑬𝑻𝟐
𝑻

A B C D E
Acetone 28.5884 -2.4690*10+3 -7.3510 2.8025*10-10 2.7361*10-6

Water 29.8605 -3.1522*10+3 -7.3037 2.4247*10-9 1.8090*10-6

IPA 38.2363 -3.5513*10-+3 -1.0031*10+1 -3.4740*10-10 1.7367*10-6

Material Balance Chapter Two Acetone production

For acetone :-
𝐵
log10 𝑝 = 𝐴 + + 𝐶 log10 𝑇 + 𝐷𝑇 + 𝐸𝑇 2
𝑇
2.4690∗10+3
log10 𝑃 = 28.5884− (354)
− 7.3510 log10 354 + 2.8025 ∗ 10−10 ∗ 354 +
2.8025 ∗ 10−6
𝑃° acetone = 1655.7 mmHg
𝑃° acetone = 2.179 bar
2.179
Kacetone = = 1.264
1.724

For IPA:-
𝐵
log10 𝑝 = 𝐴 + + 𝐶 log10 𝑇 + 𝐷𝑇 + 𝐸𝑇 2
𝑇
3.5513∗10+3
log10 𝑃=38.2363− (354)
− 10.031 log 10 354 − 3.4740 ∗ 10−10 ∗ 354 + 1.7367 ∗ 10−6

𝑃° IPA = 712.79 mmHg

𝑃° IPA = 0.938 bar
712.79
KIPA = = 0.54
1.724

For water :-
𝐵
log10 𝑝 = 𝐴 + + 𝐶 log10 𝑇 + 𝐷𝑇 + 𝐸𝑇 2
𝑇
+3
log10 𝑃 =− 3.1522∗10
(354)
− 7.3037 log10 354 + 2.4247 ∗ 10−9 ∗ 354 + 1.8090 ∗ 10−6

𝑃° water = 367.72 mmHg

𝑃° water = 0.484 bar
0.484
Kwater = = 0.281
1.724
Material Balance Chapter Two Acetone production

V=0.2(F)
F = V+ L
F= 0.2(F) + L
29.0632= 0.2(29.0632) + L
𝑘𝑚𝑜𝑙
L =23.251
ℎ𝑟

ki Value
Acetone 1.264
IPA 0.54
water 0.281

For acetone :-
yv = ki (xL)
F ( xf) = V (yv) +L (xL)
F ( xf) = V [ki (xL)] + L (xL)
21.230= 5.813 [1.264 (xL)] + 23.251 (xL)
XL = 0.694
yL = 0.877
V (yL) = 5.813 * 0.877
𝑘𝑚𝑜𝑙
V (yL) = 5.097
ℎ𝑟

L(xL) = 23.251 * 0.694

𝑘𝑚𝑜𝑙
L(xL) = 16.133
ℎ𝑟
Material Balance Chapter Two Acetone production

For water :-
yv = ki (xL)
F ( xf) = V (yv) +L (xL)
F ( xf) = V [ki (xL)] + L (xL)
4.0872= 5.813 [0.281 (xL)] + 23.251 (xL)
XL = 0.046
yL = 0.164
V (yL) = 5.813 * 0.046
𝑘𝑚𝑜𝑙
V (yL) = 0.268
ℎ𝑟

L(xL) = 23.251 * 0.165

𝑘𝑚𝑜𝑙
L(xL) = 3.819
ℎ𝑟

For IPA :-
yv = ki (xL)
F ( xf) = V (yv) +L (xL)
F ( xf) = V [ki (xL)] + L (xL)
3.746= 5.813 [0.544 (xL)] + 23.251 (xL)
XL = 0.142
yL = 0.077
V (yL) = 5.8126*0.077
𝑘𝑚𝑜𝑙
V (yL) = 0.448
ℎ𝑟

L(xL) = 23.2505* 0.142

𝑘𝑚𝑜𝑙
L(xL) = 3.298
ℎ𝑟
Material Balance Chapter Two Acetone production

Yi Ki Xl
Acetone 0.877 1.264 0.694
Water 0.046 0.281 0.164
IPA 0.077 0.544 0.142

𝒌𝒎𝒐𝒍
( ) F V L
𝒉𝒓

Total 29.063 5.813 23.251

Acetone 21.23 5.097 16.133

Water 4.0872 0.268 3.819
IPA 3.746 0.448 3.298
Hydrogen 21.230 21.230

𝒌𝒈 F V L
( )
𝒉𝒓
Total 1529.6696 327.341 1202.328
acetone 1231.34 295.609 935.731
water 73.5696 4.823 68.746
IPA 224.76 26.909 197.851
Hydrogen 42.46 42.46
Material Balance Chapter Two Acetone production

2.3-3- SCRUBBER:

12 Acetone

H2

11
H2O

Acetone
8
IPA

H2O

H2
Acetone
10
IPA

H2O

T=81°C(345.15K), P=1.5bar (1.48atm)

At the stream (11) to find amount of water
𝐺𝑀1 × 𝑌1 + 𝐿𝑀1 × 𝑋1 = 𝐺𝑀2 × 𝑌2 + 𝐿𝑀2 × 𝑋2
𝐺𝑀 × (𝑌1 − 𝑌2 ) = 𝐿𝑀 × (𝑋2 − 𝑋1 )
𝐿𝑀 ∆𝑌
=
𝐺𝑀 ∆𝑋
𝑌𝑖 = 𝐾𝑖 × 𝑋𝑖
K=1.452 ''from flash''
𝑌𝑎𝑐𝑒𝑡𝑜𝑛𝑒 = 1.452 × 𝑋𝑎𝑐𝑒𝑡𝑜𝑛𝑒
Now we draw the linear relationship
Material Balance Chapter Two Acetone production
Material Balance Chapter Two Acetone production

𝐿𝑀
= 𝑆𝐿𝑂𝑃𝐸
𝐺𝑀
𝐿𝑀 0.04
= = 1.43
𝐺𝑀 0.028
𝑘𝑚𝑜𝑙
∴ 𝐿𝑚1 = 1.43 × 27.645 = 39.493 𝑎𝑚𝑜𝑢𝑛𝑡 𝑜𝑓 𝑤𝑎𝑡𝑒𝑟 𝑖𝑛𝑙𝑒𝑡
ℎ
At stream (12)
Assume 1/100 of inlet Acetone of for gas
𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐻2 = 21.230 Kmol/h
𝑘𝑚𝑜𝑙
𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑎𝑐𝑒𝑡𝑜𝑛𝑒 = 0.01 ∗ 5.097 = 0.05097
ℎ
At stream (10)
𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑎𝑐𝑒𝑡𝑜𝑛𝑒
= 𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑎𝑐𝑒𝑡𝑜𝑛𝑒 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (8)
− 𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑎𝑐𝑒𝑡𝑜𝑛𝑒 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (12) = 5.097 − 0.05097
𝑘𝑚𝑜𝑙
= 5.04603
ℎ
𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐻2𝑂
= 𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐻2 𝑂 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (11)
+ 𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐻2 𝑂 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (8) = 39.493 + 0.268
𝑘𝑚𝑜𝑙
= 39.761
ℎ
𝑘𝑚𝑜𝑙
𝑁𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓𝐼𝑃𝐴 = 0.448
ℎ
 Material Balance Chapter Two Acetone production

Copmonent Stream 11 Stream 8 Stream 12 Stream 10

IN(Kmol/h)

Water 39.493 0.268 39.761

Acetone 5.097 0.05097 5.04603

IPA 0.448 0.448

H2

21.23 21.23

Total 39.493 27.043 21.281 45.255

Copmonent Stream 11 Stream 8 Stream 12 Stream 10

IN(Kg/h)
Water 710.874 4.824 2.95626 715.698

Acetone 295.626 292.669

IPA 26.88 26.88

H2 42.46 42.46

Total 710.874 369.79 45.41626 1035.247

Material Balance Chapter Two Acetone production

2.3.4- Acetone column:

14

Acetone

IPA

13

Acetone

IPA

Water

15

Acetone

IPA

Water

𝑁𝑎𝑐𝑒𝑡𝑜𝑛𝑒 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(13) = 𝑁𝑎𝑐𝑒𝑡𝑜𝑛𝑒𝑎 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(10) + 𝑁𝑎𝑐𝑒𝑡𝑜𝑛𝑒 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(9)

𝑘𝑚𝑜𝑙
= 5.04603 + 16.133 = 21.17903
ℎ
𝑘𝑚𝑜𝑙
𝑁𝐼𝑃𝐴 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚13 = 𝑁𝐼𝑃𝐴 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(10) + 𝑁𝐼𝑃𝐴(9) = 0.448 + 3.298 = 3.746
ℎ
𝑁𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(13) = 𝑁𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(10) + 𝑁𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(9)
𝑘𝑚𝑜𝑙
= 39.761 + 3.819 = 43.58
ℎ
Material Balance Chapter Two Acetone production

Assume that 1% recovery of acetone in the bottom product

𝑘𝑚𝑜𝑙
𝑁𝑎𝑐𝑒𝑡𝑜𝑛𝑒 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(15) = 21.17903 ∗ 0. 01 = 0.2117903
ℎ
𝑘𝑚𝑜𝑙
𝑁𝑎𝑐𝑒𝑡𝑜𝑛𝑒 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(14) = 21.17903 – 0. 2117903 = 20.9672397
ℎ
Purity = 99 %
𝑘𝑚𝑜𝑙
𝑁𝐼𝑃𝐴 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(14) = 3.746 ∗ 0.01 = 0.0374
ℎ
𝑘𝑚𝑜𝑙
𝑁𝐼𝑃𝐴 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(15) = 3.746 – 0.0374 = 3.7086
ℎ
𝑘𝑚𝑜𝑙
𝑁𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(15) = 43.58
ℎ
Component IN(kmol/hr) OUT(kmol/hr)
Stream(13) Stream(14) stream(15)
Acetone 21.17903 20.9672397 0.2117903
IPA 3.746 0.0374 3.7086
𝐻2 𝑂 43.58 _ 43.58
Total 68.50503 68.50503

component IN(kg) OUT(kg)

Stream(13) Stream(14) Stream(15)
Acetone 1228.38374 1216.0999026 12.2838374
IPA 224.76 2.244 222.516
𝐻2 𝑂 784.44 _ 784.44
Total 2237.58374 2237.58374
Material Balance Chapter Two Acetone production

2.3.5- IPA COLUMN:

17

Acetone

IPA

Water
15

Acetone

IPA

Water

16

Water

since all the i-propyl-alcohol is at the top product

Number moles at stream (17)=Number of moles at stream(15)
=3.7086 kmol/h
Number moles of acetone =0.2117903 kmol/h
assuming the composition of the recycle stream is as feed stream so that;
𝑦𝐼𝑃𝐴 = 0.88
𝑦𝑤𝑎𝑡𝑒𝑟 = 0.12
𝑛𝐼𝑃𝐴 3.7086
𝑦𝐼𝑃𝐴 = 0.88 = =
𝑛𝑡𝑜𝑡𝑎𝑙 𝑛𝑡𝑜𝑡𝑎𝑙
3.7086 𝑘𝑚𝑜𝑙
𝑛𝑡𝑜𝑡𝑎𝑙 = = 4.2143
0.88 ℎ
𝑘𝑚𝑜𝑙
𝑛𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑤𝑎𝑡𝑒𝑟 = 𝑛𝑡𝑜𝑡𝑎𝑙 − 𝑛𝐴𝑃𝐼 = 4.2143 − 3.7086 = 0.5057
ℎ
Material Balance Chapter Two Acetone production

𝑛𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑒𝑟𝑎𝑚 (16)

= 𝑛𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (15)
− 𝑛𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (17) = 43.58 − 0.5057
𝑘𝑚𝑜𝑙
= 43.0743
ℎ
IN(kmol/h) OUT(kmol/h)
COMPONENT Stream (15) Stream(16) Stream(17)
Acetone 0.2117903 - 0.2117903
IPA 3.7086 - 3.7086
Water 43.58 43.0743 0.5057
Total 47.5003903 47.5003903

IN(kg/h) OUT(kg/h)
COMPONENT Stream (15) Stream(16) Stream(17)
Acetone 12.2838374 - 12.2838374
IPA 222.516 - 222.516
Water 784.44 775.3374 9.1026
Total 1019.239837 1019.239837
Material Balance Chapter Two Acetone production

2.3.6-FEED DRUM:

FEED

DRUM

At stream (2)
𝑘𝑚𝑜𝑙
𝐼𝑃𝐴 = 24.976
ℎ
𝑘𝑚𝑜𝑙
𝐻2 𝑂 = 4.0872
ℎ
At stream(17)
𝑘𝑚𝑜𝑙
𝐼𝑃𝐴 = 3.7086
ℎ
kmol
𝐻2 𝑂 = 0.5057
h
At stream (1)
𝑁𝐼𝑃𝐴 = 𝑁𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑚𝑙𝑒𝑠 𝑜𝑓 𝐼𝑃𝐴 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚(2)
− 𝑁𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐼𝑃𝐴 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (17) = 24.976 − 3.7086
𝑘𝑚𝑜𝑙
= 21.2674
ℎ
𝑁𝑤𝑎𝑡𝑒𝑟 = 𝑛𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (2)
− 𝑛𝑢𝑚𝑏𝑒𝑟 𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑤𝑎𝑡𝑒𝑟 𝑎𝑡 𝑠𝑡𝑟𝑒𝑎𝑚 (17) = 4.0872 − 0.5057
𝑘𝑚𝑜𝑙
= 3.5815
ℎ
Material Balance Chapter Two Acetone production

COMPONENT IN(kmol/h) OUT(kmol/h)

Stream (17) Stream(1) Stream(2)
IPA 3.7086 21.2674 24.976
Water 0.5057 3.5815 4.0872
Total 29.0632 29.0632

COMPONENT IN(kg/h) OUT(kg/h)

Stream (17) Stream(1) Stream(2)
IPA 222.516 1276.044 1498.56
Water 9.1026 64.467 73.5696
Total 1572.1296 1572.1296

2.3.7- Over all material balance :

Acetone

IPA H2O
Overall process
H2O H2

H2O(scrubber) IPA
Material Balance Chapter Two Acetone production

Component In (kg) Out (kg)

IPA 3696.036 2422.236
H2O 52.2054 774.774
H2O (scrubber) 710.874 0
Acetone 0 1216.09990206
H2 0 42.46
Acetone(scrubber) 2.95626
Acetone(IPA column) 12.2838374
Total 2039.1234 2039.1234
Energy Balance Chapter Three Acetone production

Chapter Three
Energy Balance
Calculations
Energy Balance Chapter Three Acetone production

3-Energy Balance
3.1-Introduction:
Energy is transferred either as heat or work. A system does not contain “ heat”, but
the transfer of heat or work to a system changes its internal energy .
Heat taken in by a system from its surroundings is conventionally taken as positive
and that given out as negative. The equation that we used to calculate the power Q
(heat duty) or W (work) for any equipment is:
Q - W = ΔHR + (-ΔHin) + (ΔHout) + (ΔKE) + (ΔPE) .....(l)
Where ΔKE = the change in the kinetic energy.
ΔPE = the change in the potential energy.
Enthalpy can be calculated from specific and latent heat data. If the kinetic and
potential energy terms are neglected equation (I ) simplifies to:
H2 – H1 = Q - W......(2)
This simplified equation is usually sufficient for estimating the heating and cooling
requirements of the various unit operations involved in chemical processes.
For many processes the work term will be zero, or negligibly small, and equation
(2) reduces to the simple heat balance equation:
H2 — HI = Q (3)
Where heat is generated in the system; for example, in a chemical reactor:
Q = QP + cs (4)
QS = heat generated in the system. If heat is evolved (exothermic processes) Qs is
taken as positive, and if heat is absorbed (endothermic processes) it is taken as
negative.
QP = process heat added to the system to maintain required system temperature, so
QP=H2-H1-Qs (5)
H1 = enthalpy of the inlet stream, H2 = enthalpy
Energy Balance Chapter Three Acetone production

3.2- Energy Balance Around Process Units :

3.2.1- Feed drum :