Savitribai Phule Pune University

Project Report
on

“Simulation on Synthesis of Acetone”

Submitted By
Pawar Sanket Hanmant (71805270G)
Chavan Rahul Rohidas (71940337F)

Carried out at
Dr. D. Y. Patil Institute of Engineering, Management and Research, Akurdi

Under The Guidance of

Internal Guide
Mr. Pankaj Vardhe
(Dr. Utkarsh Maheshwari)

DEPARTMENT OF CHEMICAL ENGINEERING

DR. D. Y. PATIL INSTITUTE OF ENGINEERING, MANAGEMENT AND

RESEARCH, AKURDI, PUNE – 411044

2021-2022

i
 DR. D. Y. PATIL INSTITUTE OF ENGINEERING, MANAGEMENT AND
RESEARCH, AKURDI, PUNE – 411044

DEPARTMENT OF CHEMICAL ENGINEERING

CERTIFICATE

This is to certify that, Pawar Sanket Hanmant & Chavan Rahul Rohidas of B.E. Chemical Engineering
has successfully completed the Project Phase-II, “Simulation on synthesis of Acetone ”
towards the partial fulfillment for the requirements of the Degree of Engineering course under the
Savitribai Phule Pune University, Pune during the academic year 2021-22.

Mr. Pankaj Vardhe

Dr. Utkarsh Maheshwari Dr. Shailesh Ghodke Dr. Mrs. A.V. Patil
Project Guide HOD, Chemical Engg. Principal External Examiner

ii
 PROJECT APPROVAL SHEET

THIS IS TO CERTIFY THAT PROJECT PHASE – II REPORT ENTITLED

“Simulation on synthesis of Acetone”

SUBMITTED BY

PAWAR SANKET HANMANT PRN NO: 71805270G

CHAVAN RAHUL ROHIDAS PRN NO: 71940337F

are approved for evaluation during their examination of final year of Chemical Engineering under the
Savitribai Phule Pune University.

Dr.Utkarsh Maheshwari

Examiner Guide

DEPARTMENT OFCHEMICALENGINEERING
DR. D.Y. PATIL INSTITUTE OF ENGINEERING,
MANAGEMENT & RESEARCH AKURDI,

PUNE – 44

iii
 DECLARATION

We hereby declare that, entire project work entitled “Simulation on Synthesis of Acetone” is
a project report of original work done by us and to the best of our knowledge and belief. No part of it has
been submitted for any degree or diploma of any institution previously.

This Project work is submitted to Savitribai Phule Pune University, Pune in the Dr. D.Y Patil Institute
of Engineering, Management and Research, Akurdi, Pune during the academic year 2021-22.

Place: Pune
Date:
Signature of Students

1. Pawar Sanket Hanmant

2. Chavan Rahul Rohidas

iv
 ACKNOWLEDGEMENT

The successful completion of any work would be incomplete unless, we mention the names of people
whose guidance and encouragement served as beacon light and crowned our effort with success.
We express sincere thanks to our internal guide Dr.Utkarsh Maheshwari who motivated, guided and
encouraged us at each and every step and their guidance was of utmost importance.
We also take this opportunity of expressing our gratitude to Dr. Shailesh Ghodke, Head, Department of
Chemical Engineering, for constant support throughout the progress of project work.
We also owe our thanks to Dr. (Mrs) A. V. Patil, Principal for having provided us the academic
environment that nurtured our practical skills.
We would like to thank our beloved parents and other family members whose constant love, support and
encouragement have been the main source for whoever we are and it will continue everlasting.
.

Name of the Students

1. PAWAR SANKET HANMANT
2. CHAVAN RAHUL ROHIDAS

v
 INDEX

Sr.no. Title Page no.

Cover Page i
Certificate ii
Project Approval Sheet iii
Declaration iv
Acknowledgement v
Index vi
List of Figures vii
List of Tables ix
Abstract 10
1 Introduction 11
1.1 Fundamental Aspects 11
1.1.1 History Of Acetone 11
1.1.2 Comparison of Acetone and 2-Propanol 12
1.1.3 Acetone Uses 13
1.2 Synthesis Routes and Process Selection 14
2 Literature Review 15
3 Methodology 17
3.1 Chemical Process Generic Structure 17
3.2 Simulation Steps 18
3.3 Reaction Kinetics and Stoichiometry 18
3.4 Block Diagram For Simulation 19
3.5 Basis For Simulation 19
3.6 Reactor Selection & Conditions For Equipment 20
4 4.1 Software Interface 21
4.2 Simulation Setup 23
4.2.1 Selection Of Components 23
4.2.2 Selection Of Fluid Package 24
4.2.3 Feed Compositions 25
5 Simplified Simulation 26
5.1 Usage Of Conversion Reactor 26
5.2 Usage of Separator 27
5.3 Usage of Absorber 29
5.4 Usage of Splitter 31
5.5 Usage Of Shortcut Column 33
6 Rigorous Simulation 34
6.1 Usage Of Plug Flow Reactor 34
6.2 Usage of Distillation Columns 36
7 Results 39
8 Conclusion 41
9 References 42

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 LIST OF FIGURES

Figure No. Description

Page no.
1 Structure Of Acetone
10
2 Acetone Market Share By Applications 11

3 Generic Structure Of Chemical Process 16

4 Onion Diagram Of Process Design 17

5 Software Simulation Environment 20

6 Components Selection Section 20

7 Fluid Package Selection Section 21

8 Reaction Selection Section 21

9 Component Selection for Acetone Synthesis 22

10 Fluid Package Selection 22

11 Conversion Reaction Basis 23

12 Conversion Reaction Stoichiometry 23

13 Feed compositions 24

14 Feed Conditions 24

15 CRV Conditions 25

16 CRV Reaction Results 25

17 Separator Conditions 26

18 Separator Compositions 26

19 Absorber Design 27

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20 Absorber Compositions 27

21 Splitter Design 28

22 Splitter Conditions 28

23 Splitter Compositions 29

24 Shortcut Column Parameters 29

25 Performance of column 1 30

26 Acetone column compositions 30

27 Parameters for IPA column 31

28 Performance Of IPA Column 31

29 Compositions of IPA column 32

30 PFR Sizing 33

31 PFR Conditions 33

32 PFR Compositions 34

33 Distillation Column1 design 34

34 Distillation Column1 temperature vs tray position 35

35 Distillation Column1 Compositions 35

36 Distillation Column2 Design 36

37 Distillation Column2 Temperature vs tray position 36

38 Distillation Column2 compositions 37

39 Complete Flow sheet 37

40 Material Streams 38

41 Compositions 39

viii
 List of Tables
Table no Description Page no.

1 Comparison Acetone and 2-Propanol 11

ix
 ABATRACT

In this report, simulation of synthesis of Acetone from 2-Propanol is done using Unisim design R490. It
has non-carcinogenic property. It is colorless compound with sweetish in teste and it has fruity, pungent
irritating smell.
Acetone is a common solvent used to make plastics and other industrial products. Acetone is usually
manufactured in commercial quantities as a by-product of the phenol manufacturing process. However,
the reactant benzene and the intended result phenol are usually present in modest proportions in the
acetone produced this way. These contaminants were previously thought to be within acceptable limits.
However, the US Food and Drug Administration has revised these limitations downward, making other
procedures (that do not contain benzene) more appealing.
We want to build an alternative process that will generate 45000 tons of 99.9% pure acetone per year
utilizing isopropyl alcohol as the reactant (via the dehydrogenation of isopropyl alcohol).
This simulation is done in two parts such as simplified and rigorous. In simplified heat and mass
balance is done with help of shortcut columns, conversion reactor. While rigorous is done with the help
of PFR and distillation columns. Another three important equipment separator, absorber and splitter are
used in for purification and separation of hydrogen so that hydrogen can be used in commercial scale.
While acetone is produced with help of distillation columns and unreacted 2- propanol recycled.
This process gives 2 useful products and they are hydrogen and acetone which has wide range of
applications in many industries.

10
 1. INTRODUCTION

1.1 Fundamental Aspects

Acetone is an colourless liquid and it has fruity odour with distinctive taste.

Formula of acetone – (CH3COCH3)

Molecular weight of acetone- 58.079 gm/mol
Chemical structure –

FIGURE 01.STRUCTURE OF ACETONE

It is miscible with water and organic solvents such as diethyl ether, methanol, ethyl alcohol, and esters
in all quantities. It is used as a solvent for cellulose acetate and nitro cellulose, a carrier for acetylene,
and a raw material in the chemical synthesis of a variety of products, including ketone bisphenol, di-
acetone alcohol, mesityl oxide, methyl isobutyl ketone, hexylene glycol (2-methyl-2, 4-pentanediol),
and isophorone.

1.1.1 History of Acetone

Before WW war I, acetone was made by dry distilling calcium acetate, which was made by
neutralizing pyro ligneous acid (wood distillate) with lime and evaporating to dryness. When World
War I began, new manufacturing methods were investigated. Calcium acetate might be synthesized
from acetic acid obtained by alcohol fermentation or acetylene. This technologies on the other hand ,
couldn’t compete with the fermentation process formed by Weizmann and Hamlyn for conversion of
carbohydrate (cornstarch or molasses) to acetone, butyl and ethanol by the use of specific bacillus. At
one point, the combined bio-fermentation process acetone capacity of Pub licker Industries,
Commercial Solvents, and National Distillers was 22,700 met per year.
This methodology, in turn, became unprofitable due to the economies of scalability of the
synthesis gas hydro-peroxide-to-phenol & isopropyl alcohol dehydrogenation processes in the late
1950 and early 196s. Acetone had first been produced by dehydrogenating isopropyl alcohol in the
early 1920s.

11
 It remained the dominant method of manufacture into the 1960s, with cumene hydro-peroxide
accounting for 60% of US acetone capacity in 1976.
In 1974, the cumene hydro-peroxide method generated around 70 per cent of the acetone.

1.1.2 Comparison of Acetone and 2-Propanol

Property Acetone 2-propanol

Appearance (25°C) Colorless liquid liquid, colorless

Molecular weight 58.79 gm/mol 60.1 g/mole

Melting point -94.6 °C -89 °C
Boiling point 56.1 °C 82.6°C

Viscosity at 10 , mPa.s 0.36 203 ppm

Vapor pressure 185 torr. 88.8 mm Hg.
Specific gravity 0.36 cP at 20°C 0.7850 g/cm3

Table 1. Comparison Acetone and 2-Propanol

1.1.3 Acetone Uses –

Sales

chemicals solvent other uses manf of paint

Figure 2.Acetone Market Share By Applications

Roughly 75% of available acetone is utilized for making other compounds, with the residual 12% used
as a solvent. Surface coatings, films, and adhesives, as well as cleaning fluids and pharmaceutical
application, are all typical application.

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Commercial and Residential Use

1) Automotive and furniture lacquers.

2) Cellulose acetate fibers and films

3) Casting of photographic films & plates

4) Inks and coatings

5) Resin thinners and cleanup procedures.

6) Most cements

7) Agents for degreasing and degumming.

9) Used to clean a nail polish

1.2 Synthesis Routes & Process Selection –

Acetone generally produced by 3 methods. Cumene Process for Phenol and Acetone, By the direct
oxidation of propylene using air: and By the dehydrogenation of isopropyl alcohol. In cumene process
This method transforms two relatively inexpensive starting chemicals, benzene and propylene, into two
more valuable ones, phenol and acetone (2). Other reactants needed include oxygen from the air and
trace quantities of a radical initiator. The cumene process converts benzene (C6H6) and propene
creating phenol (C6H5-OH) and acetone (CH3-CO-CH3) (C3H6).In a direct oxidation method Acetone
can also be created by directly oxidizing propylene with air. The catalyst in this process is a solution of
copper chloride including small traces of palladium chloride. The reaction takes occur at 100°C and
modest pressure. It is exothermic due to the obvious 62 kcal/mole of acetone produced.

By dehydrogenation of isopropyl alcohol(2-Propanol) An isopropyl alcohol aqueous solution is fed into

the reactor, in which it is vaporized and reacted over a solid catalyst. The fundamental reactions occur
within the reactor:

1.2.2 Comparison between process and selection of process

Cumene process Oxidation process Dehydrogenation proces

The main product is phenol. The principal product is The principal product is
acetone. acetone.
Acetone is a byproduct.

13
-- The propylene used must be 99 Isopropyl alcohol aqueous
percent pure solution can be utilised.

The conversion to acetone is The conversion to acetone is Acetone conversion is high.

minimal. minimal

Method of global Not used everywhere Worldwide production method

manufacturing

ome processes are harmed by There is no hazardous chemical There is no hazardous chemical
unconverted benzene contained present with acetone. contained in acetone.
in acetone.

A considerable number of There is little separation There is less separation

separation techniques are required, therefore the necessary, therefore
necessary to purify acetone, production cost is inexpensive. manufacturing costs are
which raises the production inexpensive.
cost.

Acetone has a poor purity The purity level is high The purity level is high

14
 2. LITERATURE REVIEW

This part of the thesis contains the full analysis for Simulation of Acetone production.

1. Synthesis of isopropyl acetate by acetone method and its reaction mechanism

1. Author and Publication date: Zhang Junmei a, Zhu Ahui a, Xu Wenhui c Li Daoxianc Zhang
Yanhuan Duan Zhenyab, Wang Yanb 2021
2. Work: Isopropenyl acetate, a critical chemical raw material intermediary, has several uses in
chemicals, materials, and medicine. Acetone and ketene are employed as raw materials in this
study to manufacture isopropenyl acetate under acidic circumstances.

2. Simulation of acetone-water explosion in hydrothermal extraction reactor

1. Author and Publication date: Hamdan Mohamed YusoffLau Kia LiShamsul IzharMohamad
Syazarudin Md Said 2021
2. Work: This study looks at the likely causes of an acetone-water explosion in a hydrothermal
extraction reactor in our laboratory. To begin, CAMEO was used to test acetone-water reactivity.
Following that, pressure build-up curves under various operating situations were simulated in Aspen
Batch Modeler. To find the most relevant elements driving the explosion, an analysis of variance
(ANOVA) was performed in IBM SPSS Statistical Software. CAMEO results revealed that the
explosion was a boiling liquid expanding vapour explosion (BLEVE).
Aspen simulation results showed that increasing the acetone ratio, heating temperature, and reactant
total volume enhanced the reactor pressure rise.

3. Modelling and simulation of multicomponent acetone-butanol-ethanol

distillation process in a sieve tray column
1. Author and Publication dateLily Pudjiastuti a,Tri Widjaja b Kornelius Kevin Iskandar b Fikran
Sahid bSiti Nurkha midah bAli Altway b Atha Pahlevi Putra 2021
2. WorkRenewable energy sources are potential solutions for meeting future energy demands caused
by expanding population and depleting petroleum reserves. Biobutanol is one of the most efficient
biofuels for use in automotive fuel mixtures..

4. Investigation of temperature and pressure dependent equilibrium and transport

properties of liquid acetone by molecular dynamics simulation
1. Author and Publication date. Mohammad HadiGhate 2013
2. Work: In this paper, equilibrium thermodynamic and transport properties of liquid acetone were
studied by classical molecular dynamics simulation at P = 1 atm and T = 280–330 K, using OPLS force

15
field
5. Modelling and simulation of multicomponent acetone-butanol-ethanol distillation
process in a sieve tray column
1. Author and Publication date: LilyPudjiastutia, TriWidjajab, Kornelius Kevin, Iskandarb,
FikranSahidb, SitiNurkhamidahb, AliAltwayb, Atha Pahlevi, Putrab 2021
2. Work-Biofuels are potential solutions for meeting future energy demands caused by expanding
population and depleting petroleum reserves. Biobutanol is one of the most efficient biofuels for use in
automotive fuel blends. Biobutanol is derived from the fermentation of acetone, butanol, and ethanol
(ABE) and is separated into pure components using multicomponent distillation.

6. Comparison of Extractive and Pressure-Swing Batch Distillation for Acetone-

Methanol Separation
1. Author and Publication dateGabor Modla 2021
2. WorkThe performance of extractive (BED) and pressure swing distillation (PSBD) for the separation
of the mixture acetone(A)-methanol(B) forming a minimum azeotrope are compared. For the BED,
where the solvent(S) is water, three different operational policies (basic, modified, controlled) are
studied.

7.Simulation Study for Separation of Acetone – Methanol Mixture by

Extractive Distillation with Water as Entrainer via Heat Integration
1. Author and Publication date: Sachin Sreshta1Bikas MahatoAnthony Tushar G1 Prabhu K.T.S1
Balanjaneyulu P Brahmaiah M1 Nagarjun B Nageswara Rao C.V 2009
2. Work: Separation of azeotropic mixtures often observed in pharmaceutical and specialty chemical
industries, are of great practical and industrial interest which are impossible to separate by ordinary
distillation, but may be effectively separated by adding a third componen
8The Effect of Solvents, Acetone, Water, and Ethanol, on the Morphological and
Optical Properties of ZnO Nanoparticles Prepared by Microwave
1. Author and Publication datePhindile B. Khoza,1 Makwena J. Moloto,2 and Lucky M. Sikhwivhil
2012
2. Work: The synthesis of ZnO nanoparticles capped with hexadecylamine (HDA) was carried out with
Zn(NO3)2 and NaOH as the base in acetone, ethanol, and water. Reaction in ethanol results in the
formation of rods and spheres which are of smaller sizes with respect to those formed in acetone as a
solvent under similar conditions

16
 3. METHODOLOGY

3.1 Chemical Process Generic Structure –

RECYCLE

FEED REACTOR FEED SEPARATOR PRODUCTS

REACTOR
PREPARE USAGE

BY-
PRODUCTS
WASTE PRODUCT

Figure 3. Generic Structure Of Chemical Process

Above diagram represents general structure to design a chemical process to produce a product from raw
material. However not every stage will be useful for typical process.
The amount of storage required is determined by the nature of the raw materials, the transportation
mode, and the level of guarantee that can be placed on supply continuity.
Before the raw ingredients are sufficiently pure or in the proper form to be supplied to the reaction step,
some purification and preparation is normally required. For example, in Acetone synthesis iso-propanol
used must be in sufficient pure form. Feed contamination can affect overall process so this primary step
can’t be avoided.
A chemical manufacturing process' reactor step has vital role. Raw materials are fed together in the
reactor at conditions that can give desired production of product.
The products and byproducts are removed from any unreacted material after the reactor. If there is
enough unreacted material, it will be returned to the reaction stage or the feed purification and
preparation step.
At last obtained products, by-products and waste products are collected and if required or if possible
they can be purified further to get their best quality in terms of commercial use.
Product storage and product transportation is another part which involves storage and transportation of
product in drums, bulk tankers, etc.

17
 Reactor

Separation & Recycle

System

Heat Exchanger
Network

Utilities

Figure 4. Onion Diagram Of Process Design

Onion diagram is a representation for building a process. One has to start from inner layer and proceed
next till outer layer. For now reactor is inner layer and can be consider as starting point then separation
and recycle system then heat exchanger usage and at last utilities to use will be end point.
So first will be selection of reactor and its accompanying reaction, operating conditions, information
about reaction pathway will be helpful. After this stage separation usage has to figure out. Separation of
main product from by-product and unreacted feed should recycled for its optimum use.
Decision of heat exchanger network is helpful for energy saving part. Due to this external utilities can
be minimized. So operating cost can be minimized.
At last, decision for utilities such as cooling water, steam pressure should be considered. This can add
extra costing of design but purity of product can maximized.

3.2 Simulation Steps –

1. Finalizing block diagram and operating conditions
2. Developing simplified simulation to complete heat and mass balance.
3. Optimizing the process
4. Rigorous simulation

18
3.3 Reaction Kinetics and Stoichiometry –
By the dehydrogenation of isopropyl alcohol follows –
(𝐶𝐻3 )2 𝐶𝐻𝑂𝐻 ⇨ (𝐶𝐻3 )2 𝐶0 + 𝐻2
This reaction is endothermic reaction which releases heat to environment. Its gas phase solid catalytic
reaction with an amorphous catalyst and formation rate of acetone is reported to meet following kinetic
expression and rate of reaction can be determined by following equation –
𝐸𝑎
−𝑟𝑎 = 𝑘0 exp [− ]𝐶
𝑅𝑇 𝑎
Where ko = 3..52x 105 1/s
Ea =7.238x104 kJ/kmol
Ca= kmol/m3

3.4 Block Diagram For Simulation

FEED PUMP MIXER HEATER REACTO

R

Absorber Separator COOLER

Mixer Pump

Distillation Splitter
Columns

1. First pump is used to pressurize the feed then mixer is used to mix recycle unreacted feed.
2. Heater is used to heat the feed before entering the reactor.
3. Reactor used is PFR
4. Cooler used to cool feed for further process

19
 5. Separator separates hydrogen and some traces of acetone from top and other to bottom.
6. Absorber gives pure hydrogen.
7. Mixer and pump are used further and splitter to split hydrogen and other fed to distillation
column giving acetone and iso propanol.

3.5. Basis For Simulation -

Production capacity of Acetone is decided to be 10 tons per hour. Acetone is stored at ambient
temperature in liquid conditions and purity obtained is 99.8 %-mol.
Feed is Iso-propanol which is also stored at ambient temperature and pressure in liquid conditions. Iso-
propanol and water are fed as 99.20%-mol and 0.80%-mol respectively. Recycled Iso-propanol has
composition about 99%-mol.

3.6. Reactor Selection & Conditions For Equipment -

1. PFR is selected for this process. If temperature increases product goes to equilibrium side. Due to
endothermic reaction heat will be used so 350c is inlet temperature. Inside of single tubular reactor
multiple tubular PFR reactor used because feed will go into tubes and heat will be supplied to shell part.
So Temperature will be constant entering and leaving at 350c.
2. If pressure increases equilibrium will shift to small amount of gas moles i.e. feed parts. So in that
case pressure should be kept low. So pressure will be around 2 bar.
3. For pressure increment pump is used to pressurize the feed. Pressure will be enough around 2.5 to 3
bar.
4. Before entering the reactor feed must be hot so heater is used.
5. As there are 4 components so light component i.e. hydrogen will be separated first. Simple separator
is used just after cooler. Hydrogen will be separated from top. Small amount of acetone traces will be in
top product. While bottom product will have acetone, IPA and water.
6. To get pure hydrogen splitter is used and for splitter water is injected. Acetone will be absorbed into
water and bottom product will be recovered acetone and water. While hydrogen will be top product.
7. To increase pressure a pump is introduced after separator.
8. Feed will be introduced next to distillation column 1 & top product will be acetone while bottom
product will be IPA and water.
9. Another distillation columns in installed to separate IPA and water. As IPA is lighter it will be top
product and water will be bottom product but it will be azeotropic distillation.
10. Unreacted IPA will be recycled back to first mixer with the help of pump.
11. For distillation column 1, vapor fraction will be zero
12. Feed will be of 30c temperature and 1 bar pressure. For mole fractions of components IPA, water,
acetone and hydrogen have 0.6873, 0.3127, 0, 0 respectively.

20
 4. SIMULATION
4.1 Software Interface –

Figure 5. Software Simulation Environment

This is simulation window having model palette which consist of various equipment, top section have file,
edit, simulation, flowsheet, PFD, tools, window and help. Next to its bottom various options are available
such as save, open, print, workbook, steady state and dynamic mode, dynamic assistant, solver and basis
environment. Green section of simulation window have streams related operations.

Figure 6. Components Selection Section

21
Figure 7. Fluid Package Selection Section

Figure 8. Fluid Package Selection Section

22
4.2 Simulation Setup –
4.2.1 Selection Of Components –

Figure 9. Component Selection for Acetone Synthesis

For this process selected components are –
 2-Propanol
 Water
 Acetone
 Hydrogen

4.2.1 Selection Of Fluid Package –

For process UNIQAC fluid package is selected and vapor model selected is PR i.e. Peng Robinson.

Figure 10. Fluid Package Selection

23
 Figure 11. Conversion Reaction Basis
Conversion is 90% decided and base component is 2-propanol.

Figure 12. Conversion Reaction Stoichiometry

Stoichiometry is as follows –
 2- propanol - -1
 Acetone – 1
 Hydrogen – 1

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  4.2.3 Feed Compositions –

Figure 13. Feed compositions

Compositions are in mole fractions -
 2-Propanol – 0.6873 % -mol
 Water – 0.3126 % -mol
 Acetone - 0
 Hydrogen - 0

Figure 14. Feed Conditions

Feed Conditions are –
 Temperature – 30c
 Pressure – 100 kPa

25
 5. SIMPLIFIED SIMULATION
5.1 Usage Of conversion reactor –
As adiabatic and endothermic reaction so temperature of inlet and outlet will be constant and it is about
350c. Pressure calculated is 200 kPa.

Figure 15. CRV conditions

Result –
Conversion is 90% and reaction extent is about 180.4. How much reaction has proceeded is measured
by reaction extent.

Figure 16. CRV reaction result

26
5.2 Usage of separator –
Feed conditions for separator used are temperature of 10c and calculated pressure of about 130 kPa

Figure 17. Separator Conditions

Result -
Although Seperator is used to separate hydrogen and to get its pure form some acetone is present in it as
top product and following are compositions.

Figure 18. Separator Compositions

27
5.3 Usage of Absorber –
Initially number of stages were 10 but purity of acetone was not as expected so by trial and error
method number of stages decided to 20

Figure 19. Absorber design

Result –

Figure 20. Absorber compositions

28
5.4 Usage of Splitter –

Following is design of splitter in order to obtain pure hydrogen and other bottom stream is connected to
distillation column to separate IPA, acetone and water

Figure 21. Splitter design

Operating conditions –

Figure 22. Splitter Conditions

29
Feed compositions obtained -

Figure 23. Splitter Compositions

5.5 Usage of Shortcut Column –

Light key in bottom is acetone and heavy key in distillate is 2-propanol
While Condenser and reboiler pressure is 120 and 140 kPa
Obtained reflux ratio is 1.8

Figure 24. Shortcut Column Parameters

30
Result –
Number of trays are about 42
Condense and reboiler temperatures are 61c and 92c

Figure 25. Performance of column 1

Acetone column compositions -

Figure 26. Acetone column compositions

For IPA seperation column light key in bottom is 2-propanol and heavy key in distillate is water.
While pressure of condenser and reboiler is 120 and 140 kPa.
Obtained reflux ratio is 1.100

31
 Figure 27. Parameters for IPA column

Results –
For this column number of trays are 10
While condenser and reboiler temperatures are 83c and 108c

Figure 28. Performance Of IPA Column

32
Product Compositions -

Figure 29. Compositions of IPA column

33
 6. RIGOROUS SIMULATION

6.1 Usage of PFR –

Dimensions of PFR are as follows –

Totla volume is 71 m3
Number of tubes are 3505

Figure 30. PFR Sizing

Operating conditions –
Temperature of in and out is 350c and pressure calculated is 200 kPa.

Figure 31. PFR Conditions

34
Results for feed compositions are -

Figure 32. PFR Compositions

6.2 Usage of Distillation column –

Operating conditions of first distillation column-
Total condenser used
Inlet stage at 34

Figure 33. Distillation Column1 design

35
Temprature vs Tray position from top -

Figure 34. Distillation Column1 temperature vs tray position

Feed compositions are –

Figure 35. Distillation Column1 Compositions

36
Second distillation column connections-
Total condenser used

Figure 36. Distillation Column2 Design

Temperature vs tray position from top graph -

Figure 37. Distillation Column2 Temperature vs tray position

37
Results in compositions for 2nd distillation column -

Figure 38. Distillation Column2 compositions

38
 7. RESULTS

Figure 39. Complete Flow sheet

Figure 40. Material Streams

39
Figure 41. Compositions

40
 7. CONCLUSION
 Many different processes have been investigated for the manufacture of Acetone.
 A many of them catalytic dehydrogenation of Iso-propyl-alcohol (IPA) was considered for commercial and
economic production.
 Production of Acetone from IPA was designed with capacity of 10 metric tons per hour of Acetone with a
conversion of 90% .
 Software utilization is done in two phases. First was to use conversion reactor and shortcut columns for heat
and mass balance completion while in second phase plug flow reactor and rigorous distillation columns are
used.
 99.7 % purity of acetone is obtained from top product of first distillation column
 59.7 % purity of 2-propanol is recycled to mixer and mixed for optimization.

41
 8. REFERENCES

[1] 106694019-Acetone-Reactor-Design-Complete-Project - Project...

https://www.coursehero.com/file/19886345/106694019-Acetone-Reactor-Design-Complete-Project/
[2] XCBIO compostable food bags manufacturers
https://www.xcbio.com/xcbio-compostable-food-bags-manufacturers.html
[3] The cumene process (cumene–phenol process, Hock process) is an industrial process for
synthesizing phenol and acetone from benzene and propylene
https://dbpedia.org/page/Cumene_process

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