Production of Acetone From Isopropyl Alcohol

Production of Acetone from Isopropyl Alcohol
2011-2015
Project Supervisor
Mr. Waqas Ahmad

Mr. Usman Asghar
Group Members
Muhammad Umar Mushtaq UW-11-Ch.E-BSc-010

Muhammad Shafique UW-11-Ch.E-BSc-022
Zamir Khan UW-11-Ch.E-BSc-054
Hammad Hussain Shah UW-11-Ch.E-BSc-065
Department of Chemical Engineering

University of Wah
June, 2015
Certificate
This report is submitted to the department of chemical engineering, Wah Engineering

College University of Wah for the partial fulfilment of the requirements for the
bachelor’s degree in chemical engineering.
Internal Examiner:
Sign
Name:
External Examiner:
Sign:
Name:
Department of Chemical Engineering

University of Wah
Dedicated To
Our
Beloved Parents,
Respected Teachers,
Sincere Friends
&
Group Members
Acknowledgement
All, praise is to Almighty Allah who has sustained us throughout this project work.
A special thanks to our final year project supervisor, Mr. Waqas Ahmad and Mr. Usman
Asghar, for his incessant co-operation and suggestions towards the completion of the
final year project.
We are also grateful to the head of department Prof. Dr. A.K. Salariya, Prof .Dr. G.M
Mamoor, co-ordinator Mam Adila Anbreen, and Mr. Waqas Ahmad for their profound
gratitude and super guidance in connection with the project.
A special thanks goes to my team members in this project.
We like to thank our loving parents from the core of heart, it is just because of their
prayers, selfless efforts, support, encouragement and their belief on us that today we have
achieved remarkable success in our life. Their support and affection is the most precious
gift for us in our life.
Last but not least, I would to appreciate the guidance given by other supervisor as well
as the panels especially in our project presentation that has improved our presentation
skills by their comment and tips.
i
Preface
The main purpose of this project was production of acetone by dehydrogenation of

isopropyl alcohol. This report include some properties, manufacturing process, and
application of acetone. In manufacturing process, feed drum, vaporizer, heater, reactor,
furnace, cooler, condenser, flash unit, scrubber, acetone and IPA columns are used.
Keeping these points in mind we work & we are feeling great to present our work on
“Production of Acetone from Isopropyl Alcohol by Dehydrogenation of Isopropanol”.
This report is divided in different chapters. First of all the introduction of acetone is
given, with its importance. Next are detailed description of production process.
Afterwards material and energy balance is presented. In preceding chapters introduction
to different equipment’s of plant along with their designing procedure and specification
sheets is presented. Instrumentation & control, HAZOP study, EIA and cost estimation
for this plant are also included in this report.
ii
List of Tables
Table-1: Physical and chemical properties. ..................................................................... 3

Table-1.1: World acetone production data. ...................................................................... 5
Table-1.2: World capacity, production, and consumption for acetone, 103 tons. ............ 6
Table-2: Comparison of different processes. ................................................................. 10
Table-2.1: Process stream table ...................................................................................... 14
Table-3: Overall material balance around reactor: ......................................................... 19
Table-3.1: Overall material balance around separator: .................................................. 21
Table-3.2: Overall material balance around scrubber: ................................................... 22
Table-3.3: Material balance around acetone column: .................................................... 23
Table-3.4: Material balance around IPA column: .......................................................... 24
Table-3.5: Material balance around recycle stream. ...................................................... 25
Table-3.6: Material balance sheet. ................................................................................. 27
Table-4: Flow rates of reactor streams: .......................................................................... 31
Table-4.1: Energy balance at inlet stream. ..................................................................... 32
Table-4.2: Energy balance at outlet stream. ................................................................... 33
Table-5.1: Variation of inverse of rate law with conversion. ......................................... 65
Table-5.3: Selection criteria of trays: ............................................................................. 98
Table-5.4: Relative volatility of computed component. ............................................... 102
Table-6.1: Minimum wall thickness............................................................................. 116
Table 6.2: Comparison of different head design. ......................................................... 117
Table-7.1: Elements of control scheme of reflux drum of distillation column: ........... 126
Table-7.2: Elements of control scheme for reboiler liquid level control: .................... 127
Table -8.1: Primary keywords ...................................................................................... 129
Table-8.2: HAZOP guide words and meanings. .......................................................... 129
Table-8.3: HAZOP for heat exchanger ........................................................................ 132
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List of Figures
Figure 2.1:Process flow sheet Production of Acetone from Isopropyl Alcohol. ......... 133
Figure 5.1: Variation of inverse of rate law with conversion ......................................... 65
Figure 5.2: Variation of conversion with temperature. ................................................. 66
Figure 7.1: Control scheme of distillation column ....................................................... 125
Figure 8.2: HAZOP study of heat exchanger E-403 .................................................... 131
iv
Nomenclature
MW = Molecular weight [kg/kmol]

N = Mole [mol/h]
Y = Mol or mass fraction of gas stream
X = Mol or mass fraction of liquid stream
P T = Total pressure [bar]
Pi*n = Vapor pressure of component [bar]
Pv* = Vapor pressure [bar]
F = Feed flow rate [kmol/h]
V = Flow rate of vapor [kmol/h]
L = Flow rate of liquid [kmol/h]
T = Temperature [°C]
∆ Hvap = Latent heat of vaporization [kJ/kg]
TC = Critical temperature [°C]
PC = Critical pressure [bar]
Tb = Normal boiling point [°C]
Q = Heat [kJ]
M = Mass flow rate [kg/h]
K = Activity coefficient A, heat transfer area (ft2)
Aa = Active area (ft2)
Ad = Down comer area (ft2)
Ah = Area of hole
AT = Tower area (ft2)
B = Baffle spacing (ft)
Cp = Specific heat (Btu/lb-°F)
Do = Outside diameter of tube (inch)
Db = Bundle diameter (mm)
De = Equivalent diameter (inch)
Di = Inside diameter of tube (inch)
Ds = Shell diameter (inch)
F = Feed flow rate (lb-mol/h)
G = Mass flow rate (lb-mol/h)
GS: Mass velocity (lb/hr-ft2)
Ho = Outside fluid film coefficient (Btu/ft2-°F)
Hi = Inside fluid film coefficient (Btu/ft2-°F)
hOW = Weir crest (ft)
hT = Total plate pressure drop (ft)
hW: Weir height (ft)
k = Thermal conductivity (Btu/h-ft-°F)
L = Liquid flow rate (lb-mol/h)
LMTD = Log mean temperature difference (°F)
MMSCFD = Million million standard cubic feet per day.
ℓ = Density (lb/ft3)
P = Total pressure (psia)
PG = Gas density (lb/ft3)
PL = Liquid density (lb/ft3)
Ppm = Parts per million
v
Psig = Gauge pressure (psig
PT = Tube pitch (ft)
Q = Heat flow rate (Btu/h)
R = Heat of reaction (Btu/h)
T = Temperature (°F)
T1 = Inlet Temperature (°F)
T2 = Outlet Temperature (°F)
U = Overall heat transfer coefficient (Btu/h-ft-°F)
V = Vapor flow rate (lb-mol/h)
α = Absorption efficiency factor
∆PT = Total plate pressure drop (N/m2)
∆T = Temperature gradient (°F)
ʎ = Latent heat (Btu/lb)
vi
Table of Contents
Acknowledgement ........................................................................................................... i
Preface .............................................................................................................................ii
List of Tables................................................................................................................. iii
List of Figures ................................................................................................................ iv
Nomenclature .................................................................................................................. v
Chapter 1 Introduction ............................................................................................ 1
Introduction: ................................................................................................................. 1
1.1 History of acetone:............................................................................................. 2
1.2 Physical and chemical properties: ..................................................................... 3
1.3 Production and shipment of acetone: ................................................................. 4
1.4 World acetone production: ................................................................................ 5
1.4.1 World capacity, production, and consumption: ............................................. 6
1.5 Uses of acetone: ................................................................................................. 7
Chapter 2 Literature Review................................................................................... 9
2.1 Methods for preparation of acetone: .................................................................. 9
2.1.1 Cumene process for phenol and acetone: ....................................................... 9
2.1.2 By the direct oxidation of propylene using air:.............................................. 9
2.1.3 By the dehydrogenation of isopropyl alcohol: ............................................... 9
2.2 Process selection: ............................................................................................. 10
2.3 Acetone production process: ........................................................................... 11
2.4 Selection of catalyst: ....................................................................................... 11
2.4.1 Turn over frequency: .................................................................................... 11
2.5 Reaction kinetics: ............................................................................................ 12
2.6 Process description: ........................................................................................ 15
2.6.1 Detail process description: ........................................................................... 15
Chapter 3 Material Balance .................................................................................. 18
3.1 Material balance around reactor: ..................................................................... 18
3.2 Material balance around separator: .................................................................. 20
3.3 Material balance around scrubber: .................................................................. 22
3.4 Material balance around acetone column: ....................................................... 23
3.5 Material balance around IPA column: ............................................................. 24
3.6 Recycle stream balance: .................................................................................. 25
3.8 Overall plant material balance: ........................................................................ 26
Chapter 4 Energy Balance ..................................................................................... 28
vii
4.1 Energy balance around feed drum: .................................................................. 28
4.2 Energy balance around vaporizer: ................................................................... 29
4.4 Energy balance around reactor: ......................................................................... 31
4.5 Energy balance around cooler: ....................................................................... 34
4.6 Energy balance around condenser: .................................................................. 35
4.8 Energy balance around acetone column: ......................................................... 40
4.9 Energy balance around IPA column: ............................................................... 44
Chapter 5 Equipment Design ................................................................................ 48
5.1 Design of vaporizer ........................................................................................ 48
5.2 Design of reactor .......................................................................................... 60
5.2.3 Design steps for the reactor: ......................................................................... 62
5.3 Furnace design ............................................................................................. 70
5.4 Design of cooler: ............................................................................................. 78
5.5 Design of phase separator: ................................................................................. 85
5.6 Design of scrubber: ......................................................................................... 88
5.7 Design of distillation column: .......................................................................... 97
5.8 Pump calculation: .......................................................................................... 113
Chapter 6 Mechanical Design of Reactor ........................................................ 116
6.1 Design Pressure: ............................................................................................ 116
6.1.1 Design temperature ....................................................................................... 116
6.2 Thickness of the reactor: ................................................................................ 116
6.3 Head selection and design: .......................................................................... 117
6.3.1 Thickness of head: .................................................................................... 117
6.4 Vessel Supports: ............................................................................................ 118
6.4.1 Types of supports: ........................................................................................ 118
6.5 Weight of shell: .............................................................................................. 119
6.6 Stress calculations: ......................................................................................... 119
6.7 Weight of insulation ....................................................................................... 120
Chapter 7 Instrumentation and Control ............................................................. 121
7.1 Introduction .................................................................................................... 121
7.2 Process instrumentation: ................................................................................. 121
7.2.1 Measurement of temperature: ........................................................................ 121
7.2.2 Measurement of pressure: ............................................................................. 121
7.2.3 Measurement of flow: ................................................................................. 122
7.2.4 Measurement of concentration: .................................................................. 122
viii
7.3 Control mechanism: ................................................................................... 122
7.3.1 Process control:........................................................................................... 122
7.3.2 Components of a control system: ............................................................. 122
7.4 Types of control: ......................................................................................... 123
7.4.1 Feedback control: ...................................................................................... 123
7.4.2 Feed forward control: .............................................................................. 123
7.5 Control scheme of distillation column: ...................................................... 125
7.5.1 Reflux drum level control ......................................................................... 126
7.5.2 Column base level control ......................................................................... 126
Chapter 8 HAZOP Study ................................................................................... 128
8.1 Introduction: ................................................................................................ 128
8.2 Objectives: ................................................................................................... 128
8.3 Keywords used in HAZOP study: ............................................................. 128
8.3.1 Primary keywords: .................................................................................... 128
8.3.2 Secondary keywords: .............................................................................. 129
8.4 How to conduct a HAZOP study: .............................................................. 129
Chapter 9 Cost Estimation ................................................................................. 133
9.1 Cost of purchased equipment: ..................................................................... 133
9.2 Annual operating cost: .............................................................................. 137
9.2.1 Fixed operating cost: ................................................................................ 137
9.2.2 Variable operating cost .............................................................................. 138
9.2.3 Plant overhead ......................................................................................... 139
9.3 Net profit: ..................................................................................................... 139
9.4 Rate of return: ............................................................................................... 140
9.5 Payback period: ............................................................................................ 140
Chapter 10 Acetone Environmental Impacts .................................................... 141
10.1 Acetone plants: ............................................................................................ 141
10.2 Acetone as a product: .................................................................................. 141
10.3 Sources of human and environmental exposure: ............................................ 142
10.4 Environmental levels and human exposure: .................................................. 143
10.5 Evaluation of human health risks and effects on the environment: ................ 144
10.6 Further research: ............................................................................................ 145
Bibliography ................................................................................................................. 146
Important Website Links .......................................................................................... 147
ix
Chapter 1 Introduction
Introduction:
Acetone is the organic compound with the formula (CH3)2CO. Acetone is the simplest
and most important of the ketones. It is a colorless, mobile, flammable liquid with a
mildly pungent, somewhat aromatic odor, and is miscible with water in all proportion
and most organic solvents. Acetone is an excellent solvent for a wide range of gums,
waxes, resins, fats, greases, oils, dyestuffs, and cellulosic. It is used as a carrier for
acetylene, in the manufacture of a variety of coatings and plastics, and as a raw material
for the chemical synthesis of a wide range of products such as ketone, methyl
methacrylate, bisphenol A, diacetone alcohol, methyl isobutyl ketone, hexylene glycol
(2-methyl-2,4-pentanediol), and isophorone.
World production of acetone in 1990 was about 3 million metric tons per year, of which
about 1 million are made in the United States. In 2010, the worldwide production
capacity for acetone was estimated at 6.7 million tons per year in which the United States
had the highest production capacity with 1.56 million tons per year and the second largest
production is in Taiwan and followed by China (2010). Most of the world's manufactured
acetone is obtained as a co product in the process for phenol from cumene and most of
the remainder from the dehydrogenation of isopropyl alcohol. Numerous natural sources
of acetone make it a normal constituent of the environment. It is readily biodegradable.
1
1.1 History of acetone:

Acetone was observed about 1595 as a product of the distillation of sugar of lead (lead
acetate). In the nineteenth century it was obtained by the destructive distillation of metal
acetates, wood, and carbohydrates with lime, and pyrolysis of citric acid. Its composition
was determined by Liebig and Dumas in 1832.
Production of acetone by dehydrogenation of isopropyl alcohol began in the early 1920s

and remained the dominant production method through the 1960s. In the mid-1960s
virtually all United States acetone was produced from propylene. A process for direct
oxidation of propylene to acetone was developed by Wacker Chemie, but is not believed
to have been used in the United States. However, by the mid-1970s 60% of United States
acetone capacity was based on cumene hydro peroxide, which accounted for about 65%
of the acetone produced.
Acetone was a co product of the shell process for glycerol. Propylene was hydrated to
isopropyl alcohol. Some of the alcohol was catalytically oxidized to acrolein and some
was oxidized to give hydrogen peroxide and acetone. Some more of the isopropyl alcohol
and the acrolein reacted to give alkyl alcohol and acetone. The alkyl alcohol was then
treated with the peroxide to give glycerol. About 1.26 kg of acetone resulted per kilogram
of glycerol. In 1974, 23,000 to 32,000 ton of acetone may have been produced by this
method.
Dehydrogenation of isopropyl alcohol accounts for most of the acetone production not
obtained from cumene. The vapor is passed over a brass, copper, or other catalyst at 400-
500°C, and a yield of about 95% is achieved (1.09 unit weight of alcohol per unit of
acetone).
Almost 95% of the acetone produced in the United States in 1987 and 1988 was made
from cumene and 4% from isopropyl alcohol.
2
1.2 Physical and chemical properties:
Table-1: Physical and chemical properties.
Property Water Acetone Isopropyl Alcohol Hydrogen

Molecular weight 18 58 60 2
(Kg/Kmol)
Freezing point (°C) 0 -95 -88.5 - 259.2
Boling point (°C) 100 56.2 82.2 -252.8
Critical temperature 647.3 508.1 508.3 33.2

(°C)
Critical pressure 220.5 47 47.6 13

(bar)
Critical volume 0.056 0.209 0.220 0.065

(m3/min)
Liquid density 998 790 786 71

(Kg/m3)
Heat of vaporization 40683 29140 39858 904

(KJ/Kmol)
Standard enthalpy of -242.0 20.43 -272.60 0

formation at 298K
(KJ/Kmol)
Standard Gibbs -228.77 62.76 -173.5 0

energy of formation
at 298K (KJ/Kmol)
3
1.3 Production and shipment of acetone:

Acetone is produced in large quantities and usually shipped by producers to consumers
and distributors in drums and larger containers. Distributors repackage the acetone into
containers ranging in size from small bottles to drums or even tank trucks. Specialty
processors make available various grades and forms of acetone such as high purity,
specially analyzed, analytical reagent grade, chromatography and spectrophotometric
grades, and isotopically labeled forms, and ship them in ampoules, vials, bottles, or other
containers convenient for the buyers.
The Department of Transportation (DOT) hazard classification for acetone is flammable

liquid, identification number UN1090. DOT regulations concerning the containers,
packaging, marking, and transportation for overland shipment of acetone are published
in the Federal Register. Regulations and information for transportation by water in the
United States are published in the Federal Register and by the U.S. Coast Guard. Rules
and regulations for ocean shipping have been published by the International Maritime
Organization (IMO), a United Nations convention of nations with shipping interests, in
the IMOBCH Code. The IMO identification number is 3.1. Because additions and
changes to the regulations appear occasionally, the latest issue of the regulations should
be consulted.
Small containers up to 4-5 L (about 1 gal) are usually glass. Acetone is also shipped by
suppliers of small quantities in steel pails of 18 L. Depending on the size of the container,
small amounts are shipped by parcel delivery services or truck freight. Quantities that
can be accepted by some carriers are limited by law and special "over-pack" outer
packaging may be required. Usual materials for larger containers are carbon steel for 55-
gal (0.21m3) drums, stainless steel or aluminum for tank trucks, and carbon steel, lined
steel, or aluminum for rail tank cars. The types of tank cars and trucks that can be used
are specified by law, and shippers may have particular preferences. Barges and ships are
usually steel, but may have special inner or deck-mounted tanks. Increasing in use,
especially for international shipments, are intermodal (IM) portable containers, tanks
suspended in frameworks suitable for interchanging among truck, rail, and ship modes
of transportation.
Containers less than bulk must bear the red diamond-shaped "flammable liquid" label.
Bulk containers must display the red "flammable" placed in association with the UN1090
identification. Fire is the main hazard in emergencies resulting from spills. Some
manufacturers provide transportation emergency response information. A listing of
properties and hazard response information for acetone is published by the U.S. Coast
Guard in its CHRIS Manual.
Tank cars contain up to 10, 20, or 30 thousand gal of material, tank trucks 6000 gal
(22.7m3), and barges 438,000 gal (about 1270 tons). International shipments by sea are
typically about 2000 tons.
4
1.4 World acetone production:

Table-1.1: World acetone production data.
Production Canada Mexico Western Europe Japan

Producing companies 2 2 14 6
Capacity (year end), 10^3 t 44 94 988 324
Percentage of capacity from

isopropyl alcohol 61 77 26 -
Cumene 39 23 69 70
Other (propylene and cymene) - - 5 30
Production, 10^3 t 41 47 867 260
Imports,10^3 t - 0.6 - 8
Exports,10^3 t 18 1.4 - 31
Net imports,10^3 t - - 35 -
Consumption,10^3 t 23 47 877 247
Solvent applications 15 28 337 -
ACH/MMA 11 - 268 88
Aldol chemicals 8 - 78 -
Bisphenol A - 1 74 25
Production ratio 0.93 0.5 0.88 0.8
ACH = Acetone Cyanohydrin; MMA = Methyl Methacrylate.
5
1.4.1 World capacity, production, and consumption:

Current and future world capacity, based on announced new plants and expansions, and
1987 production and consumption data are shown in table-1.3. Consumption of acetone
is expected to grow at a rate of about 2% annually until 1992, but phenol demand and
consequent co-product acetone production are expected to grow at a rate of 2.5-3%, thus
resulting in excess supplies. The fastest growing outlet for acetone is for bisphenol A,
mainly for growth in polycarbonate. Although bisphenol a production consumes one
mole of acetone, it yields a net amount of one mole of acetone production because two
moles of acetone accompany the production of the required phenol. Production of "on-
purpose" acetone will probably decline as supplies of by-product acetone increase.
Table-1.2: World capacity, production, and consumption for acetone, 103 tons.
Countries Capacity Production (1987) Imports (1987) Consumption (1987)
Canada 87 41 - 18
Mexico 96 47 1.4 47
United States 1345 950 118 908
Western Europe 1062 867 - 877
Japan 324 260 31 247
Other 1046 833 439 777
Total 3960 2998 607 2879
6
1.5 Uses of acetone:

Acetone is used as a solvent and as a reaction intermediate for the production of other
compounds which are mainly used as solvents and/or intermediates for consumer
products.
Direct solvent use:

A large volume, direct solvent use of acetone is in formulations for surface coatings and
related washes and thinners, mainly for acrylic and nitrocellulose lacquers and paints. It
is used as a solvent in the manufacture of pharmaceuticals and cosmetics (about 7000
metric tons in nail polish removers), in spinning cellulose acetate fibers, in gas cylinders
to store acetylene safely, in adhesives and contact cements, in various extraction
processes, and in the manufacture of smokeless powder. It is a wash solvent in fiberglass
boat manufacturing, a cleaning solvent in the electronics industry, and a solvent for
degreasing wool and degumming silk.
Acrylics:
Acetone is converted via the intermediate acetone cyanohydrin to the monomer methyl
methacrylate (MMA) The MMA is polymerized to poly(methyl methacrylate) (PMMA)
to make the familiar clear acrylic sheet. PMMA is also used in molding and extrusion
powders. Hydrolysis of acetone cyanohydrin gives meth acrylic acid (MAA), a monomer
which goes directly into acrylic latexes, carboxylate styrene-butadiene polymers, or
ethylene-MAA monomers. As part of the meth acrylic structure, acetone is found in the
following major end use products: acrylic sheet molding resins, impact modifiers and
processing aids, acrylic film, ABS and polyester resin modifiers, surface coatings, acrylic
lacquers, emulsion polymers, petroleum chemicals, and various copolymers.
Bisphenol A:
One mole of acetone condenses with two moles of phenol to form bisphenol A, which is
used mainly in the production of polycarbonate and epoxy resins. Polycarbonates (qv)
are high strength plastics used widely in automotive applications and appliances,
multilayer containers, and housing applications. Epoxy resins (qv) are used in fiber-
reinforced laminates, for encapsulating electronic components, and in advanced
composites for aircraft-aerospace and automotive applications. Bisphenol A is also used
for the production of corrosion- and chemical-resistant polyester resins, polysulfone
resins, polyetherimide resins, and polyarylate resins.
Aldol chemical:
The aldol condensation of acetone molecules leads to the group of aldol chemicals which
are themselves used mainly as solvents. The initial condensation product is diacetone
alcohol (DAA) which is dehydrated to mesityl oxide. Because of its toxicity effects,
mesityl oxide is no longer produced for sale, but is used to make methyl isobutyl ketone
(MIBK) and methyl isobutyl carbinol (MIBC) by hydrogenation. DAA is hydrogenated
to hexylene glycol. Three molecules of acetone give isophorone and phorone which is
hydrogenated to diisobutyl ketone (DIBK) and diisobutylcarbinol (DIBC).
7
MIBK is a coatings solvent for nitrocellulose lacquers and vinyl and acrylic polymer
coatings, an intermediate for rubber antioxidants and specialty surfactants, and a solvent
for the extraction of antibiotics. MIBC is used mainly for the production of zinc dialkyl
dithiophosphates which are used as lubricating oil additives. It is a flotation agent for
minerals and a solvent for coatings. Besides its use as a chemical intermediate, DAA is
used as a solvent for nitrocellulose, cellulose acetate, oils, resins, and waxes, and in metal
cleaning compounds. Hexylene glycol is a component in brake fluids and printing inks.
Isophorone is a solvent for industrial coatings and enamels. DIBK is used in coatings and
leather finishes.
Other uses:
More than 70 thousand metric tons of acetone is used in small volume applications some
of which are to make functional compounds such as antioxidants, herbicides, higher
ketones, condensates with formaldehyde or diphenylamine, and vitamin intermediate.
8
Chapter 2 Literature Review
2.1 Methods for preparation of acetone:

Acetone is prepared by following of the three methods:
2.1.1 Cumene process for phenol and acetone:

This process converts two relatively cheap starting materials,
benzene and propylene, into two more valuable ones, phenol and acetone. Other reactants
required are oxygen from air and small amounts of a radical initiator. Cumene process is
a process of producing phenol (C6H5-OH) and acetone (CH3-CO-CH3) from benzene
(C6H6) and propene (C3H6).
2.1.2 By the direct oxidation of propylene using air:

Acetone can also be produced by the direct oxidation of propylene
using air. In this process the catalysis consists of a solution of copper chloride containing
small quantities of palladium chloride. The reaction takes place under a moderate
pressure and at 100°C. It is exothermic by 61 kcal/mole of acetone produced. The overall
reaction is as follows:
2CH3 - CH = CH2 + O2 → 2CH3 - CO- CH3

Propylene Oxygen Acetone
2.1.3 By the dehydrogenation of isopropyl alcohol:

In this process, an aqueous solution of isopropyl alcohol is fed into
the reactor, where the stream is vaporized and reacted over a solid catalyst. The reactions
occurring within the reactor are as follows:
Cu/C
CH3 - CHOH - CH3 → CH3 - CO - CH3 + H2
Isopropyl Alcohol Acetone Hydrogen
The primary advantage of this process is that the acetone produced is free from trace
aromatic compounds, particularly benzene. For this reason, acetone produced from IPA
is favored by the pharmaceutical industry.
9
2.2 Process selection:

Table-2: Comparison of different processes.
Cumene process Propylene oxidation process Isopropyl alcohol

dehydrogenation process
Primary product is phenol. Acetone is the primary Acetone is the primary product.
Acetone is by product. product.
Purity of acetone is low. Purity is high. Purity is high.
--- Propylene used should be Aqueous solution of the

99% pure. isopropyl alcohol can be used.
Conversion to acetone is low. Conversion to acetone is low. Conversion to acetone is high.
Worldwide production method. Not used worldwide. Worldwide production method.
Unconverted benzene present Not a dangerous compound Not a dangerous compound

along with acetone is present along with acetone. present along with acetone.
dangerous to some process.
To purify acetone large number Less separation process Less separation process
of separation processes are required and production cost required and production cost is
required which increase the is low. low.
production cost.
Reason:
Major disadvantage of the production of acetone from cumene process is that some
amount of reactant benzene is present along with desired product which is toxic.
The disadvantage of production of acetone from propylene oxidation process is that
propylene required for the process should be 99 % pure. So our process for the production
of acetone is dehydrogenation of isopropyl alcohol.
10
2.3 Acetone production process:
Chemical reaction:
The reaction occurs in vapor phase at a temperature of 350 °C and a pressure of 1.8 – 2
bars in the presence of catalyst.
Catalyst
CH3 -CHOH-CH3 (v) → CH3 -CO-CH3 (v) + H2 (g) ∆H = +62.9 KJ/mol
Isopropyl Alcohol Acetone Hydrogen
Side reactions:
At a temperature lower than 325 °C the following reaction is more expected to occur,
and ether (di-isopropyl ether) is obtained as the product instead of acetone.
2CH3 -CHOH-CH3 (v) → (CH3 )2 CH-O-CH(CH3 )2 (aq) + H2 O(l)

Isopropyl Alcohol Di-isopropyl Ether Water
At the higher temperature (>350 °C), dehydration reaction is expected to be significant

and propylene is formed.
CH3 -CHOH-CH3 (v) → CH2 =CH-CH3 (v) + H2 O(v)

Isopropyl Alcohol Propylene Water
So the suitable temperature conditions for the reaction is between 325 °C to 350 °C.
2.4 Selection of catalyst:

Trial and error experimentation and scientific analysis provide guidance for the selection
of the catalyst. There are some categories of the catalyst which are suitable for some
purpose. For example platinum, copper and related metals elements such as palladium
are known to catalyze hydrocarbon oxidation and dehydrogenation. Since our desired
reaction is the dehydrogenation reaction of hydrocarbon (isopropyl alcohol), so the
catalyst used for the process belong to this category. One of the factors considered in the
selection of catalyst is their turn over frequency (TOF).
2.4.1 Turn over frequency:

Turn over frequency of the catalyst is defined as the amount of
reactant converted into product by the catalyst in the unit time. For most relevant
industrial applications, the turnover frequency is in the range of 10−2 - 102 s−1.
11
 The turn over frequency of cu chromites catalyst is 0.026 per second

 The TOF of carbon supported copper is 0.052 per second double than that of the
cu chromites catalyst.
 Platinum (with a turnover frequency of 0.66 per second) metal has the high TOF
for this process but it is expensive.
So the suitable catalyst for this process is carbon supported copper.
2.5 Reaction kinetics:

The reaction to form acetone from isopropyl alcohol is endothermic with a standard heat
of reaction 62.9 kJ/mol. The reaction is kinetically controlled and occurs in the vapor
phase over a catalyst. The reaction kinetics for this reaction is first order with respect to
the concentration of alcohol and can be estimated from the following equation:
-Ea
-rIPA = Ko exp [ ] CIPA
RT
With Ea = 72.38 MJ/Kmol and ko = 3.51 × 105 m3 gas/m3 bulk catalyst. s
12
V-401 P-401A/B E-401 R-401 E-402 E-403 P-402A/B H-401 V-402 T-401 T-402 E-404 V-403 E-405 P-403A/B T-403 E-406 E-407 V-404 P-405A/B E-408
IPA Feed IPA Feed IPA Feed IPA Reactor Trim Reactor Reactor Phase Acetone Acetone Acetone Acetone Acetone Acetone IPA IPA IPA IPA Reflux IPA Reflux Waste
Drum Pump Vaporizer Reactor Effluent Cooler Heater Furnace Separator Scrubber Column Overhead Reflux Reboiler Reflux Column Overhead Reboiler Drum Pump Water
Cooler Pumps Condenser Drum Pumps Condenser Cooler
Process Water
16
E-404 Hydrogen
P-406A/B 8 7 11
IsoPropyl E-406
Alcohol 2 Acetone
V-403
H-401
4
T-402 13 V-404
1 T-401
E-401
R-401 air ng 9
T-403
P-403A/B 12
V-402 5
P-402 A/B
3 P-405A/B
V-402
P-401 A/B 6
E-402 E-403
E-405 15
P-404A/B
E-407 E-408 Waste water cooler
14
Figure-2.1: Process flow sheet Production of Acetone from Isopropyl Alcohol.
13
Table-2.1: Process stream table
Stream no. 1 2 3 4 5 6 7 8 9 11 12 14 15
Pressure 2.0 2.0 1.8 1.8 1.5 1.5 1.5 1.7 1.3 1.3 1.6 1.1 1.4
(bar)
Temperature 25.0 109.50 350.0 94.7 81.0 28.1 70.0 25.0 45.0 102.3 105.0 111.5 111.5
(oC)
Acetone - - 12327.3 12327.5 3307.72 3304.3 3.306 - 12322.3 11415.5 907.87 - 0.0
(kg/hr)
Hydrogen - - 425.08 425.08 425.088 - 425.1 - - - - - -
(kg/h)
Water (kg/h) 1749.11 1932.21 1932.2 1932.2 146.412 25721.01 - 25574.5 27506.6 - 27506.8 177.81 27296.9
Unreacted 12872.58 14169.6 1416.9 1416.9 110.46 110.46 - 1416.3 119.28 1297.02 1304.0 -
IPA (kg/h)
Mass flow 14621.96 16101.8 16101.5 16101.5 3989.6 29103.9 527.1 25574.5 41245.2 11534.7 29711.6 1481.8 27296.9
(kg/h)
14
2.6 Process description:

At the beginning of the process, feed including iso-propyl alcohol and water, and recycle
stream are mixed in feed drum. From here, this mixture is send to vaporizer to change
stream’s phase as vapor. After vaporizer, mixture is heated to reaction temperature in the
heater. Reactor used is a fixed bed tubular reactor. Acetone, hydrogen gas (H2) are
produced and water and iso-propyl-alcohol are discharged. After condenser the mixture
is sent to flash unit. Hydrogen, acetone, iso-propyl-alcohol and water are obtained as top
product. This top product is sent to scrubber to remove hydrogen. The bottom product of
flash unit which is formed by acetone, water, and iso-propyl-alcohol are mixed with the
bottom product of scrubber before acetone column. In acetone column, acetone is
obtained from top product with 99 wt. %. İso-propyl alcohol and water and also 0.1% of
acetone is sent to iso-propyl-alcohol column from bottom product. The top product of
this column is sent to feed drum and bottom product is thrown away as waste water.
2.6.1 Detail process description:
Feed drum:
Feed drum is a kind of tank used for the mixing of the recycle stream and feed stream.
Recycle stream concentration is assumed to be same with the feed stream. Feed stream
is at room temperature (25°C) and at a pressure of 2 bars, which is assumed to be
constant. The temperature of recycle stream calculated as 111.50 °C from the energy
balance around the isopropyl alcohol distillation column. The temperature of the leaving
stream from the feed drum calculated as 32.890 °C, by the energy balance around feed
drum.
Vaporizer:
In the vaporizer molten salt is used for heating. The temperature at the entrance of the
unit is the temperature of the mixture leaving the feed drum, which is 32.890 °C. And
the leaving temperature is the bubble point temperature of the mixture, which is 109.50
°C. The pressure is 2 bars, and assumed to be constant.
Pre-heater:
Since the temperature leaving the vaporizer is not enough for the reaction to carry out.
Due to which a pre-heater is used to maintain the temperature of the feed stream to the
reaction temperature of 350 °C which is the reaction temperature. The unit is working at
2 bars and assumed to be constant. The entrance and leaving temperatures are 109.50°C
and 350°C. This unit heats the molten salt that provides heat to the reactor. Energy is
supplied by combustion of natural gas, which may be assumed to be pure methane. The
heat capacity of molten salt is 1.56 J/g K.
15
Reactor:
The reactor is the starting point for the calculations. The temperature values for the
entering and leaving streams is 350 °C, (i.e the process is isothermal). The reaction takes
place inside is endothermic, for this reason the reactor has to be heated. For heating,
molten salt is used from the furnace and the conversion at 350 °C temperature is 90%.
The reactor exit pressure is 1.8 bar. Only the following reaction take occurs;
Catalyst
CH3 -CHOH-CH3 (v) → CH3 -CO-CH3 (v) + H2 (g) ∆H = +62.9 KJ/mol
Isopropyl alcohol Acetone Hydrogen
Cooler:
The entrance temperature of the cooler is 350 °C and leaving temperature is 94.70°C
(temperature is calculated by using energy balance). For cooling purpose water is used.
By using refrigerant better results may be obtained. But since it costs too much, due to
which it isn’t chosen as the cooling material. From the temperature values it’s easily seen
that the load is on the cooler not on the condenser, for this process. But in reality the unit
cannot cool that much, and the load is mostly on the condenser. In this process, the
mixture cooled down to its dew point. The pressure is 1.5 bars, and assumed to be
constant.
Condenser:
The temperature of the entering stream is the dew point and the leaving temperature is
the bubble point of the mixture. In the condenser water is used as cooling material.
Separation vessel:
This unit disengages the vapor and liquid effluent from E-402. In this separator, all
hydrogen in the feed enters the vapor phase. All other components distribute according
to Raoult’s Law at the temperature and pressure of E-402. The combination ofE-402 and
V-401 is often called a flash operation.
Flash unit:
Flash unit is operating isothermally, for this reason temperature is not changed. It is 81
°C in the entrance and exit. From trial and error method, (V/F) value is found to be 0.2.
The entrance temperature of the unit is the bubble point of the mixture, but if it is its dew
point the (V/F) value should be much higher. In the flash unit the hydrogen is flashed out
from the mixture of isopropyl alcohol, water and acetone. Along with hydrogen some
amount of acetone and isopropyl alcohol is also flashed out. In order to recover these, a
scrubber unit is used.
16
Scrubber:
Scrubber operated adiabatically. Water entering the unit is at atmospheric temperature
(i.e 25°C). The temperature of the off gas, including hydrogen and a very little amount
of acetone, is between 40-50°C. The temperature of the leaving stream (containing water,
acetone and isopropyl alcohol) is found to be 28.10 °C from the energy balance around
the scrubber.
The streams leaving the scrubber and flash unit are mixed together before entering the
acetone column. The temperature leaving the flash unit and scrubber are 81°C and 28.10
°C respectively. The temperature of the mixture is found to be 45.0 °C. This result is
obtained by using energy balance around the mixing point.
Acetone distillation column:

The acetone column is used to separate the acetone from the mixture. The entrance
temperature is 45 °C. The leaving temperatures for the top and bottom product are 102.3
°C and 105 °C, respectively, which are the bubble and dew points. Top product of the
unit includes acetone (99wt% of acetone which is desired). From the bottom isopropyl
alcohol, water and a very little amount of 0.1 %, acetone is discharged.
Isopropyl alcohol column:

In this distillation column, isopropyl alcohol and water are separated. The entrance
temperature is 105°C. The leaving temperatures of the top and bottom products are both
111.50 °C. The top product is recycled to the feed drum. For this reason it’s assumed to
have the same concentration with the feed stream. The bottom product is pure water and
it’s thrown away. Since its temperature is very high it cannot be recycled to the scrubber.
But if a cooler is used, a recycle can be used.
17
Chapter 3 Material Balance
3.1 Material balance around reactor:
Basis:
236.16 kmol/h of the isopropyl alcohol are entering in the reactor.
Since the solution used for the preparation of acetone is 88%. So the number of moles
of water entering in the reactor is calculated as:
Weight of solute
Weight percent =
Total weight of solution
Weight of IPA
0.88 =
(Weight of IPA+ Weight of water)
236.16 × 60
0.88 =
236.16 × 60 + Weight of water
1700.352
Weight of water = = 1932.218 kg/h
0.88
1932.218
Moles of water entering in reactor = nwater, in = = 107.345 kmol/h
18
3 Acetone = 212.544 kmol/h

IPA = 236.16 kmol/h 2 Reactor Hydrogen = 212.544 kmol/h
Water = 107.345 kmol/h Water = 107.345 kmol/h
Feed = 343.505kmol/h IPA= 23.616 kmol/h
Product = 556.049 kmol/h
Reaction:
Cu/C
CH3 -CHOH-CH3 → CH3 -CO-CH3 + H2
At a temperature of 350 °C the conversion is 90%.
Number of moles of acetone leaving from reactor in stream 3 = nacetone = 236.16 × 0.90
= 212.544 kmol/h
18
Number of moles of hydrogen leaving from reactor in stream 3 = nhydrogen = 236.16 × 0.90
= 212.544 kmol/h
Number of moles of water leaving from reactor in stream 3 = nwater = 107.34 kmol/h
Number of moles of isopropyl alcohol leaving from reactor in stream 3 = nIPA = 236.16 × 0.10
= 23.616 kmol/h
Total number of moles leaving from reactor in stream 3 = 556.049 kmol/h
212.544
Mole fraction of acetone in stream 3 = yacetone = = 0.3822
556.049
212.544
Mole fraction of hydrogen in stream 3 = yhydrogen = = 0.3822
556.049
107.345
Mole fraction of water in stream 3 = ywater = = 0.1930
556.049
23.616
Mole fraction of isopropyl alcohol in stream 3 = yIPA = = 0.0424
556.049
3.1.1 Overall material balance:
Mass in = Mass out
Mass of water in + Mass of IPA in = Mass of water out + Mass of IPA out +
Mass of acetone out + Mass of hydrogen out
14169.6 + 1932.21 = 1932.21 + 1416.96 + 12327.32 + 425.08
16101.81 kg/h = 16101.57 kg/h
Table-3: Overall material balance around reactor:
Stream (2) Stream (3)

Component
kmol/h kmol/h
Acetone - 212.544
Hydrogen - 212.544
IPA 236.16 23.616
Water 107.345 107.345
19
3.2 Material balance around separator:
Acetone = 57.028 kmol/h

5 Hydrogen = 212.544 kmol/h
Water = 8.134 kmol/h
IPA = 1.841 kmol/h
Vapor = 279.547 kmol/h

Hydrogen = 212.544 kmol/h 3 Separator
IPA = 23.616 kmol/h
Feed = 555.934 kmol/h
Input = Output Acetone = 155.484 kmol/h
9 Water = 99.204 kmol/h
IPA = 21.764 kmol/h
Liquid = 276.452 kmol/h
Feed = Acetone + IPA + Water

Feed = 212.544 + 23.616 + 107.345 = 343.505 kmol/h
By trial and error method:
V/F = 0.2
V = 0.2 × 343.505 = 68.701 kmol/h
Overall balance:
F= V + L
L= 343.505 - 68.701 = 274.804kmol/h
Composition:
Yv = KxL
F × zf = VYV + LXL
20
For acetone:
Yv= 1.467 XL
F× zf = VYV + LXL
212.544= 68.701 (1.467 XL) + 274.804 XL
XL= 0.5658
YV= 0.8301
For IPA:
Yv= 0.339 XL
F× zf= VYV + LXL
23.616= 68.701 (0.339 XL) + 274.804 XL
XL= 0.0792
Yv= 0.0268
For Water:
Yv = 0.328 XL
F× zf= VYV + LXL
107.345= 68.701 (0.328 XL) + 274.804 XL
XL= 0.3610
Yv= 0.1184
Table-3.1: Overall material balance around separator:
Stream (3) Stream (5) Stream (9)

Components Kmol/h Kmol/h Kmol/h
Acetone 212.544 57.028 155.484
Hydrogen 212.544 212.544 -
IPA 23.616 1.841 21.764
Water 107.345 8.314 99.204
Total 556.934 279.547 276.452
21
3.3 Material balance around scrubber:

Hydrogen = 212.544 kmol/h
Off gases = 212.601 kmol/h
Water = 1420.811 kmol/h 8
Scrubber
Acetone = 57.028 kmol/h 5

Hydrogen = 212.544 kmol/h
Assume
IPA that
= 1.841 (1/1000) of acetone
kmol/h Acetone = 56.971 kmol/h
Vapor feed = 279.547 kmol/h 6 IPA = 1.841 kmol/h
Liquid = 1487.754 kmol/h
Nacetone (5) = 57.028/1000 = 0.0570 kmol/h

Nacetone (6) = 57.028 – 0.0570 = 56.971 kmol/h
Yacetone (7) = 0.0570/212.601 = 2.681×10-4
Yacetone (5) = 57.028/279.547 = 0.2040
Mass of solvent:
Yacetone (7) /Yacetone (5) = 1-A / (1-A6)

2.681×10-4 / 0.2040 = 1-A / (1-A6)
1-A / (1-A6) = 1.313×10-3
Assume
A= 3.527 and m = 1.439
L= A × m × V
L= 1420.811 kmol/h
Table-3.2: Overall material balance around scrubber:
Mass in Mass out

Components Stream (8) Stream (5) Stream (7) Stream (6)
Kmol/h Kmol/h Kmol/h Kmol/h
Acetone - 57.028 0.0570 56.91
Hydrogen - 212.544 212.544 -
IPA - 1.841 - 1.841
Water 1419.038 8.314 - 1428.945
Total 1698.584 1698.585
22
3.4 Material balance around acetone column:
10 Acetone =196.821 kmol/h

IPA = 1.988 kmol/h
D= 198.809 kmol/h
Acetone
Acetone = 212.455 kmol/h 6
IPA = 23.605 kmol/h Column
F = 1764.182 kmol/h
12 Acetone =1.565 kmol/h

IPA = 21.617 kmol/h
B = 1563.745 kmol/h
Feed = 276.452 + 1487.757 = 1764.182 kmol/h
Overall material balance:
F=D+B
B =1764.182 – D
Acetone balance:
1764.182 × 0.1204= 0.99D + 0.01(1764.182 –D)
D= 194.814/ 0.98
D= 198.81 kmol/h
B= 1764.182 –D
B= 1764.182 –198.81
B= 1565.372kmol/h
Table-3.3: Material balance around acetone column:

Component Kmol/h Kmol/h Kmol/h
Acetone 212.455 196.821 15.653
IPA 23.605 1.988 21.617
Water 1526.149 - 1528.149
Total 1764.182 198.809 1563.745
23
3.5 Material balance around IPA column:

IPA = 21.617 kmol/h
D = 33.442 kmol/h
Acetone = 1.565 kmol/h IPA

IPA = 21.617 kmol/h 12
Column
F = 1563.745 kmol/h
15
F=D+B
B = 1563.745 – D
IPA balance:
D = 47.442 kmol/h
B =1517.972 kmol/h
Table-3.4: Material balance around IPA column:

Component Kmol/h Kmol/h Kmol/h
Acetone 1.565 1.565 -
IPA 21.617 21.617 -
Water 1528.149 10.172 1517.972
Total 1550.745 33.442 1517.972
24
3.6 Recycle stream balance:
Assume that the composition of IPA and water in recycle stream.
YH2O = 0.32
YIPA = 0.68
Nwater (13) = 21.617×0.32/0.68
Nwater (13) = 10.172 kmol/h
Table-3.5: Material balance around recycle stream.
Stream (14) Composition

Component Kmol/h
21.617 0.68
IPA
10.172 0.32
Water
31.789 1
Total
3.7 Material balance around feed drum:
IPA = 214.543 kmol/h 1 15 IPA = 236.16 kmol/h

Feed Drum Water = 107.345 kmol/h
Feed= 311.716 kmol/h Product= 343.505 kmol/h
14
IPA = 21.617 kmol/h

Recycle= 31.789 kmol/h

Input = Output
F+R=P
311.716 + 31.789 = 343.505 kmol/h
25
3.8 Overall plant material balance:

Feed = 311.716 kmol/h
Plant Off gas = 212.601 kmol/h
Recycle = 31.789 kmol/h
IPA = 1517.977 kmol/h
Solvent = 1420.811 kmol/h
Input = output
F + R +S = A + O + I
311.716 + 31.789 + 1420.811 = 236.16 + 212.601 + 1517.977
1764.316 kmol/h = 1929.387 kmol/h
39286.877 kg/h = 39286.878 kg/h
26
Table-3.6: Material balance sheet.
Stream no. 1 2 3 4 5 6 7 8 9 11 12 14 15
Pressure (bar) 2.0 2.0 1.8 1.8 1.5 1.5 1.5 1.7 1.3 1.3 1.6 1.5 1.5
Temperature 25.0 109.50 350.0 94.7 81.0 28.1 70.0 25.0 45.0 102.3 105.0 111.5 111.5
(oC)
Acetone (kg/h) - - 12327.3 12327.5 3307.72 3304.3 3.306 - 12322.3 11415.5 90.687 - 0.0
Hydrogen - - 425.08 425.08 425.088 - 425.1 - - - - - -
(kg/h)
Water (kg/h) 1749.11 1932.21 1932.2 1932.2 146.412 25721.01 - 25574.5 27506.6 - 27506.8 177.81 27296.9
Unreacted IPA 12872.58 14169.6 1416.9 1416.9 110.46 110.46 - 1416.3 119.28 1297.02 1304.0 -
(kg/h)
Mass flow 14621.96 16101.8 16101.5 16101.5 3989.6 29103.9 527.1 25574.5 41245.2 11534.7 29711.6 1481.8 27296.9
(kg/h)
27
Chapter 4 Energy balance
Chapter 4 Energy Balance
4.1 Energy balance around feed drum:
T outlet =?
Tin let = 25 °C 1 mIPA = 14169.6 kg/h
mIPA = 12872.58 kg/h 2 mH2O = 1932.21 kg/h
Feed drum
mH2O = 1749.114 kg/h mP = 16101.81 kg/h
mF = 14621.964 kg/h
14
Tin let = 111.5 °C

mIPA = 1297.02 kg/h
mH2O = 194.202 kg/h
mR = 1491.222 kg/h
Reference temperature = 25 °C
CP IPA =2.497 KJ/Kg.K
CP H20 =4.178 KJ/Kg.K
CP mixture =2.497 × 4.178 × 0.12
CP mixture = 2.698 KJ/Kg.K
mF = 14621.694 kg/h
mR = 1491.222 kg/h
m p = 16101.81 kg/h
Q in = Q out
mFCPmixΔT + mRCPmixΔT = mPCPmixΔT
(14621.694 × 2.698)(25 - 25) + (1491.22 × 2.698) (111.5 - 25) = (16101.81 × 2.698) (T –25)
T = 33.010 °C
28
4.2 Energy balance around vaporizer:
T inlet = 33.010 °C T outlet = 109.5 °C

mIPA = 14169.6 kg/h mIPA = 14169.6 kg/h
mH2O = 1932.21 kg/h 2 Vaporizer 3 mH2O = 1932.21 kg/h
mP = 16101.81 kg/h mP = 16101.81 kg/h
At Temperature = T = 33.010°C
CP H20 =4.179 KJ/Kg.K
For Water:
Tc = 647.3 K
Tb = 394 K at 2 bar
ΔHf = 0.109 × 394 using Trouton’s rule
ΔHf = 42946 KJ/Kmol
Watson’s correlation:
TC − T 0.38
∆HVap,H2O = ∆Hf [ ]
TC − Tb
∆Hvap,H20 = 2426.472 KJ/Kg
For IPA:
Tc = 508.3 K
Tb = 375 K at 2 bar
29
TC − T 0.38
∆HVap,IPA = ∆Hf [ ]
TC − Tb
∆Hvap,IPA = 666.422 KJ/Kg
Q = mIPACPIPAΔT + mH2OCPH2OΔT + ∆Hvap,IPA +∆Hvap,H20
Q = 17371917.05 KJ/h
Q = 1.737×107 KJ/h
4.3 Energy balance around pre-heater:
T outlet = 350 °C
T inlet =109.5 °C mIPA = 14169.6 kg/h
mIPA = 14169.6 kg/h Pre-heater mH2O = 1932.21 kg/h
mH2O = 1932.21 kg/h mP = 16101.81 kg/h
mP = 16101.81 kg/h
Temperature = T = 109.5°C
CP H20 =2.019 KJ/Kg.K
Q = mIPACPIPAΔT + mH2OCPH2OΔT
Q = 8027190.626 KJ/h
Q = 8.027×108 KJ/h
Molten salt:
We assume ΔT = 150 °C
Q = m CP molten salt ΔT
18.027 × 108 = 1.56 × m × 150
M = 34303.41 Kg
30
4.4 Energy balance around reactor:
The reaction occurring in the reactor is isothermal at the temperature of 350 °C.
Tin let = 350 °C Tout let = 350 °C

Reactor
Reaction:
Cu/C
CH3 − CHOH − CH3 → CH3 − CO − CH3 + H2
Table-4: Flow rates of reactor streams:
Heat of formation of
Stream (2) Stream (3) components
Component
kmol/h kmol/h
Acetone - 212.544 -216.685 KJ/gmol

0
Hydrogen - 212.544
-272.290 KJ/gmol
IPA 236.16 23.616
-241.826 KJ/gmol
Water 107.345 107.345
Calculations at the inlet of reactor:
Inlet temperature = 350 °C
Sensible heat at inlet:
350
∆Hin, IPA = ∫ (32.427+1.886 ×10-1 T+6.405 ×10-5 T2 - 9.261×10-8 T3 )dT

25
∆Hin, IPA =20.014 KJ/gmol
31
350
∆Hin, water = ∫ (33.46+0.6880 × 10-2 T+0.7640 × 10-5 T2 -3.593 × 10-9 T3 )dT

25
∆Hin, water = 10.476 KJ/gmol
Table-4.1: Energy balance at inlet stream.
Components Moles In Standard heat Heat of Sensible heats

In ni of formation phase change ∆Hs ∆Hi = ni (Hof +∆Hp.c +∆Hs )
Hof ∆Hp.c
Kgmol KJ/gmol KJ/gmol KJ/gmol KJ

IPA 236.16 -272.290 39.858 20.014 −5.0134 × 107
Water 107.345 -241.826 40.65 10.476 −2.0224 × 107
Enthalpy at inlet = ∆Hin = −5.0134 × 107 − 2.0224 × 107 = −7.0358 × 107 KJ
Calculations at the outlet of reactor:
Outlet temperature = 350 °C
Sensible heat at outlet:
350
∆Hout, IPA = ∫ (32.427+1.886 ×10-1 T+6.405 ×10-5 T2 - 9.261×10-8 T3 )dT

25
∆Hout, IPA = 22.6 KJ/gmol
350
∆Hout, water = ∫ (33.46+0.688 × 10-2 T+0.764 × 10-5 T2 -3.593 × 10-9 T3 )dT

25
∆Hout, water = 11.388 KJ/gmol
350
∆Hout, acetone = ∫ (71.96+20.1 × 10-2 T-12.78 × 10-5 T2 + 34.76×10-9 T3 )dT

25
∆Hout, acetone = 33.940 KJ/gmol
32
350
∆Hout,hydrogen = ∫ (28.84 × 10−3 + 0.00765 × 10−5 T + 0.3288 × 10−8 T 2

25
− 0.8698 × 10−12 T 3 ) dT
∆Hout, hydrogen = 9.466 KJ/gmol
Table-4.2: Energy balance at outlet stream.
Components Moles Standard Heat of Sensible ∆Hi = ni (Hof +∆Hp.c +∆Hs )

Out Out heat of phase heats
nout formation change ∆Hs
Hfo ∆Hp.c
Kgmol KJ/gmol KJ/gmol KJ/gmol KJ

Acetone 212.544 -216.69 30.2 33.940 −3.226 × 107
IPA 23.616 -272.290 39.858 22.6 −4.952 × 106
Hydrogen 212.544 0 - 9.466 2.011 × 106
Water 107.345 -241.826 40.65 11.388 −2.012 × 107
Enthalpy at outlet = ∆Hout = -3.226 ×107 - 4.952 ×106 + 2.012×106 - 2.012×107
∆Hout = -5.53 ×107 KJ
Heat of reaction = ∆Hr = ∆Hout -∆Hin
∆Hr = 1.505×107 KJ
33
4.5 Energy balance around cooler:
T outlet = 94.7 °C
T inlet = 350 °C mIPA = 14169.6 kg/h
mIPA = 14169.6 kg/h Cooler mH2O = 1932.21 kg/h
mH2O = 1932.21 kg/h mH2 =12327.552 kg/h
mH2 = 425.088 kg/h mAcetone = 12327.5 kg/h
mAcetone = 12327.5 kg/h
Temperature reference = Tref. = 94.7 °C
CP IPA = 2.536 KJ/Kg.K
CP H20 = 2.035 KJ/Kg.K
CP Acetone = 1.896 KJ/Kg.K
CP H2 =12.608 KJ/Kg.K
Q = [ mIPACPIPA + mH2OCPH2O + mH2CPH2 + macetoneCPacetone]ΔT
Q = -9256735.31 KJ
Q = -9.25×106 KJ
For water:
ΔT = 45 - 25 = 20 °C
CP H20 = 4.179 KJ/Kg.K
Q = m CP water ΔT
M = 110672.40 Kg
34
4.6 Energy balance around condenser:
P=1.5 bar T outlet = 81 °C

T inlet = 94.7°C
mIPA = 14169.6 kg/h mIPA = 14169.6 kg/h
mH2O = 1932.21 kg/h mH2O = 1932.21 kg/h
Condenser mH2 = 12327.552 kg/h
mH2 = 425.088 kg/h
mAcetone = 12327.5 kg/h mAcetone = 12327.5 kg/h
Interpolation:
X-H1 Y-Y1
=
H2 -H1 Y2 -Y1
1.5-1 Y-56.2
=
2-1 78.6-56.2
Y = 67.1
For acetone:
Temperature = T = 32.83°C at 1.5 bar
CP acetone =1.297 KJ/Kg.K
Tc = 508.1 K
Tb = 340.1 K
Q = macetoneCPacetoneΔT
Q = -219047.03 KJ
TC -T 0.38
TC -Tb
ΔHf = 0.088×340.1 using Trouton’s rule
35
TC -T 0.38
TC -Tb
∆Hvap, acetone = 499.34 KJ/Kg
For IPA:
Temperature = T = 94.7°C at 1.5 bar
Tc = 508.3 K
Tb = 364.9 K
Q = mIPA CPIPA ΔT
Q = -34185.1518 KJ
Interpolation:
X-H1 Y-Y1
=
H2 -H1 Y2 -Y1
1.5-1 Y-82.5
=
2-1 101.3-82.5
Y = 91.9
(TC -T) 0.38

TC -Tb
ΔHf = 0.109 ×364.9 using Trouton’s rule
(T -T)
∆HVap,IPA = ∆Hf [ T C-T ]0.38 using Watson’s correlation
C b
∆Hvap. IPA = 681.613 KJ/Kg
36
For water:
Temperature = T = 94.7 °C at 1.5 bar
CP water = 1.898 KJ/Kg.K
Tc = 647.7 K
Tb =385 K
Q = mwaterCPwaterΔT
Q = -50242.48 KJ
(TC -T) 0.38

∆HVap,IPA =∆Hf [ ]
TC -Tb
(TC -T) 0.38

∆HVap,IPA =∆Hf [ ]
TC -Tb
∆Hvap, water= 43784.70 KJ/Kmol
∆Hvap, water=2432.48 KJ/Kg
For hydrogen:
Temperature = T = 94.7 °C at 1.5 bar
CP H2 =13.225 KJ/Kg.K
Q = m H2 CP H2 ΔT
Q = -77018.14 KJ
∑ mCP∆T= -219047.03-34185.1518-50242.48-77018.14
∑ mCP∆T= -380492.80 KJ
37
∑ m∆HVap = (12327.552×681.613)+(1416.96×681.613)+(1932.21×2432.48)
∑ m∆HVap = 11821520.35 KJ
∑ m∆HVap = 11.82 ×106 KJ
QTotal = ∑ m∆HVap + ∑ mCP∆T
QTotal = 11.82×106 +(-380492.80)
QTotal = 11441027.55 KJ
QTotal = 11.44×106 KJ
38
4.7 Energy balance around scrubber:
7 T= 70 °C
8
macetone= 3.306 Kg/h
mH2O = 25574.598 Kg/h
T inlet = 81 °C Scrubber
mIPA = 110.46 kg/h
mH2O = 146.412 kg/h
mH2 = 425.088 kg/h T outlet = 28.1 °C
mAcetone = 3307.724 kg/h mIPA = 110.46 kg/h
mH2O = 25721.01 kg/h
5 6 mAcetone = 3304.318 kg/h
Qin = Qout
Qin = 425.088×14.419(81-25)+3307.624×1.259(81-25)+146.412×4.193(81-25)
Qin = 621437.4445 KJ
Qout = 425.088 × 14.401 (70 - 25) + 3.306 × 1.229 (70 -25) + 3304.318 × 1.249
(T - 25) + 25721.01 × 4.183 (T - 25) + 110.46 × 1.710 (T - 25)
Qout = -2522015.124 + 111906.954T
Qin = Qout
621437.4445 = -2522015.124 + 111906.954T
T = 28.1 °C
39
4.8 Energy balance around acetone column:
10 Distillate
T = 69 °C
macetone = 11415.618 kg/h
mIPA = 119.28 kg/h
Acetone
Feed Column
9
T inlet = 45 °C
mIPA = 1416.3 kg/h
mH2O = 27506.682 kg/h
Bottom
12 T = 112 °C
mIPA = 1297.02 kg/h
mH2O = 27506.87 kg/h
Condenser:
For acetone:
Tc = 508.1 K
Tb = 331.44 K
Interpolation:
X-H1 Y-Y1
=
H2 -H1 Y2 -Y1
1.1-1 Y-56.2
=
2-1 78.6-56.2
Y = 58.44
40
TC -T 0.38
∆HVap,acetone = ∆Hf [ ]
TC -Tb
ΔHf = 0.088 × 331.44 using Trouton’s rule
KJ
∆Hf = 29166.72
Kmol
508.1-375.3 0.38
∆HVap,acetone = 29166.72[ ]
508.1-331.44
KJ
∆HVap,acetone = 26169.19
kmol
KJ
kmol
For IPA:
Tc = 508.1 K
Tb = 84.38 K
Interpolation:
X-H1 Y-Y1
=
H2 -H1 Y2 -Y1
1.1-1 Y-82.5
=
2-1 101.3-82.5
Y = 84.38
TC -T 0.38
TC -Tb
ΔHf = 0.109 × 357.38 using Trouton’s rule
KJ
∆Hf = 38.954
Kmol
41
508.1-375.3 0.38
508.1-357.38
KJ
kmol
KJ
kg
For the mixture:
∆Hmixture = 451.192 × 0.99 + 618.786 × 0.07
∆Hmixture = 446.680 + 6.187
KJ
∆Hmixture = 452.867
Kg
Kg
∆HT =11534.898
hr
For energy balance of mixture:
Q = mT ∆Hmixture
Q = 11534.898 × 452.867
Q =5.223×106 KJ
Reboiler:
For acetone:
TC -T 0.38
TC -Tb
ΔHf =0.088 × 331.44 using Trouton’s rule
KJ
∆Hf = 29166.72
Kmol
508.1-378 0.38
508.1-331.44
KJ
kmol
KJ
kmol
42
For water:
TC -T 0.38
∆HVap,water = ∆Hf [ ]
TC -Tb
ΔHf = 0.109 ×375 using Trouton’s rule
KJ
∆Hf = 40875
Kmol
647.3-378 0.38
∆HVap,water = 40875[ ]
647.3-375
KJ
∆HVap,water = 40703.28
kmol
KJ
kmol
For IPA:
TC -T 0.38
TC -Tb
KJ
∆Hf = 38954
Kmol
508.3-378 0.38
∆HVap,IPA = 38954[ ]
508.3-357
KJ
∆HVap,IPA = 36838.94
kmol
KJ
∆HVap,IPA = 613.982
kmol
KJ
∆Hvap,mixture = 2220.081
Kg
KJ
mT = 29711.576
kmol
Q = mT ∆HVap,mixture
Q = 29711.576 × 2220.081
KJ
Q = 6.596×107
Kg
43
4.9 Energy balance around IPA column:
Distillate
T = 102 °C
13
mIPA = 1297.02 kg/h
mH2O = 177 kg/h
Feed
T intlet = 105 °C
mIPA = 1297.02 kg/h IPA
12
macetone = 90.787 kg/h Column
mH2O = 27506.874 kg/h
Bottom
T = 114 °C
15
mH2O = 27296.874 kg/h
Condenser:
For IPA:
Tc = 508.1 K
Tb = 357.38 K
Interpolation:
X-H1 Y-Y1
=
H2 -H1 Y2 -Y1
1.1-1 Y-82.5
=
2-1 101.3-82.5
Y = 84.38
44
TC -T 0.38
TC -Tb
KJ
∆Hf = 38954
Kmol
508.1-384.5 0.38
∆HVap,IPA =38954[ ]
508.1-357.38
KJ
∆HVap,IPA =36125.52
kmol
KJ
∆HVap,IPA =602.09
kmol
For acetone:
Tc = 508.1 K
Tb = 331.44 K
Interpolation:
X-H1 Y-Y1
=
H2 -H1 Y2 -Y1
1.1-1 Y-56.2
=
2-1 78.6-56.2
Y = 58.44
TC -T 0.38
TC -Tb
KJ
∆Hf = 29166.72
Kmol
45
508.1-384.5 0.38
508.1-331.44
KJ
kmol
KJ
kg
For water:
Tc= 647.3 K
Tb = 375 K
TC -T 0.38
TC -Tb
ΔHf = 0.109 ×375 using Trouton’s rule
KJ
∆Hf = 40875
Kmol
647.3-384.5 0.38
∆HVap,water = 40875[ ]
647.3-375
KJ
kmol
KJ
Kg
Since acetone is neglected, Ywater = 0.12 and YIPA = 0.88
For mixture:
∆Hvap, mixture = 2240.39 × 0.12 + 602.09 × 0.88
∆Hvap,mixture = 268.846 + 529.839
KJ
∆Hvap,mixture = 798.685
Kg
46
For energy balance of mixture:
Q = mT ∆Hvap, mixture
Q =1480.116×798.685
KJ
Q =1182146.447
h
KJ
Q =1.182×106
h
Reboiler:
For water:
TC -T 0.38
TC -Tb
KJ
kg
Q = mT ∆HVap,mixture
Q = 2240.31 × 27323.496
KJ
Q = 61215287.2
h
KJ
Q = 6.12×107
h
47
Chapter 5 Equipment Design
5.1 Design of vaporizer:

Steam = 42032.86 lb/h
t1 = 507.2oF
IPA =88 % IPA =88 %

T1 = 91.09oF T2=109.5℃
Water=12 % Water=12 %
F= 35423.98 lb/h F= 35423.98 lb/h
Steam = 42032.86 lb/h

t2=264℃
5.1.1 Design steps:

 Heat balance:
Sensible heat:
Q1  mcpt
Q1  1.646  10^7 Btu/h
Latent heat:
Q2  m
IPA  287.12 Btu/lbm

water  1045.44 Btu/lbm
Q2  [(31173.12  287.12)  (4250.86 1045.44)]
Q2  1.33  10^7 Btu/h
49
Total heat duty:
Q  Q1  Q2
Q  1.646  10^7  1.33  10^7
Q  2.97  10^7 Btu/h
 Steam required:
Q  W
steam  706.59 Btu/lb

Q
W

2.97  10^7
W
706.59
W  42032 .86 lb/h
 Log mean temperature difference (LMTD):

For preheating:
As our flow is counter-current so for that our formula is:
(T1  t 2 )  (T2  t1 )
LMTD1 
T t
ln( 1 2 )
T2  t1
Where
T1  507.2F
T2  507.2F
t1  91.09F
t 2  229.1F
(507.2  91.09)  (507.2  229.1)

LMTD1 
507.2  91.09
ln( )
507.2  229.1
LMTD1  345F
49
Now find out true temperature
t  LMTD  FT
To find FT we have relation
T2  T1
R
t 2  t1
507.2  507.2
R
229.1  91.09
R0
t 2  t1
S
T1  t1
229.1  91.09
S
507.2  91.09
S  0.33
So,
FT =1
t1  345F
For vaporization:
LMTD2  278.1F
t 2  278.1F
Now we find Weighted t
Q1 1.646  10 7

t1 345
Q1
 47710 .14 Btu/h oF
t1
Q2 1.33  10 7

t 2 278 .1
Q2
 47824 .52 Btu/h oF
t 2
50
Q
t wt 
Q1 Q2

t1 t 2
2.97  10 7
t wt 
47710 .14  47824 .52
t wt  310.88F
 Assumed calculations:
Let assume
Ud = 120 Btu/ft2.h.oF
Q  UATwt
Q
A
UTwt
2.97  10 7
A
120  310.88
A  796.12 ft2
 Tube specifications:
Length = 16 ft
OD = 3/4in
BWG = 16
Pitch = 1in square pitch.
Passes = 2
Outside surface area per linear ft, a”= 0.1963ft2
 No. of tubes
A
Nt 
a L
796 .12
Nt 
0.1963  16
Nt  253.47
51
Nearest count
Nt = 270
Shell ID = 21.25in
Baffle spacing = B = 4.25 in
 Corrected coefficient:
A  Nt  L  a
A  270  16  0.1963
A = 848.01 ft2
Q
UD 
At wt
UD  112.65 Btu/ft2.h.oF
 Average temperature:
Since fluid is not viscos so, (<1cp for both sides) except Tc and tc we use average temp.
Tavg = 160oF
tavg = 507.2oF
 Hot fluid (Tube side, steam):

Flow area of tube:
at  0.302 in2
Nt  at
at 
144  n
270  0.302
at 
144  2
at  0.283 ft
2
52
Mass velocity:
W
Gt 
at
42032 .86
Gt 
0.283
Gt = 148526 lb/h.ft2
Reynold number:
Tave = 507.2oF
µ = 0.017 lb/ft.h
0.620
D  0.051 ft
12
DGt
Re 

0.051  148526
Re 
0.017
Re = 445578
Heat transfer coefficient:

hio for condensing steam = 1500 Btu/h.ft2 oF
 Cold fluid (Shell side, solution):

Flow area:
ID  C   B
as 
144  PT
21.25  0.25  4.25

as 
144 1
a s  0.156 ft2
53
Mass velocity:
W
Gs 
as
35423 .98
Gs 
0.156
Gs  227076 .80 lb/h.ft2

Reynold number:
DGs
Re 

t = 160oF
  1.34 lb/ft.h
De 

4 PT2  d o2 / 4   0.95in
  0.75
De = 0.079 ft
0.079  227076 .80
Re 
1.34
Re  13387 .36

jH =101
tave = 160oF
K = 0.12 Btu/hr.ft2 oF
 = 1.34 lb/ft.h
Cp = 0.81 Btu/lb oF
k  C 
1/ 3
ho  jH  
De  k 
ho  319.65 Btu/hr.ft2 oF
54
Clean over all coefficient for preheating UP:

hio ho
UP 
hio  ho
1500  319.65
UP 
1500  319.65
U P  263.49 Btu/h.ft2 oF
Q1
AP 
U p t1
1.646  10 7
AP 
263.49  345
AP  181.07 ft2
Vaporization zone:
Reynold number:
t = 229.1oF
  0.687lb / ft.h
0.079  227076 .80
Re s 
0.687
Re  26112 .17
s
jH = 97
Cp = 0.93 Btu.lb oF
 = 0.687lb/ft.h.
k = 0.16 Btu/h.ft oF
k  Cp 
1/ 3
ho  j H  
De  k 
0.16 0.93  0.687 13

ho  97  ( )
0.079 0.16
ho  311.67 Btu/h.ft
55
hio ho
UV 
hio  ho
1500  311.67
UV 
1500  311.67
UV  258.05 Btu/ft2 h.ft

Surface area:
Q2
AV 
U V  t 2
1.33  10 7
Av 
258.05  278.1
AV  185.33 ft2
AC  AP  AV
AC  181.07  185.33
AC  366.4 ft2
 Overall clean coefficient:
Uc   A
U
Ac
95534 .66
UC 
366.4
U C  260.73 Btu/h.ft2 oF
 Dirt factor:
UC U D
RD 
U CU D
260.73  112.65
RD 
260.73  112.65
o
RD  0.005 h. ft2 F/Btu
56
 Pressure drop:
Tube side:
NRet = 445578
f = 0.0001 ft2/m2
s = 0.025
fGt2 Ln
Pt 
5.22  1010 DeSt
0.0001  (148526 ) 2  16  2
Pt 
5.22  1010  0.051  0.025  1
Pt  1.06 psi

Shell side:
Preheating zone:
Re = 13387.36
f = 0.0018 ft2/m2
s = 0.47
Length of preheating zone:
LAP
LP 
AC
16  181.07
LP 
366.4
LP  7.90 ft
No. of crosses:
12 LP
N+1=
B
12  7.90
N + 1
4.25
N + 1  22.30
57
Pressure drop:
fG s2 N  1D5
Ps1 
5.22  1010 DeS
0.0018  (227076 .80) 2  22.30  1.77

Ps1 
5.22  1010  0.079  0.47
Ps1  0.89 psi

Vaporization zone:
Re = 26112.17
f = 0.0015 ft2/m2
S  0.39
Length of vaporization zone:
Ls = 16 – 7.90 = 8.1ft
No. of crosses:
12  8.1
N 1
4.25
N  1  22.87
Pressure drop:
fG s2 DS N  1
PS 2 
5.22  1010 DeS3
0.0015  (227076 .80) 2  22.87  1.77

PS 2 
5.22  1010  0.079  0.39  1
PS 2  0.94 psi

Total pressure drop:
Ptotal  Ps1  Ps 2

Ptotal  0.89  0.94
Ptotal  1.83 psi
58
Specification sheet
Vaporizer
Identification: Vaporizer Date: 5-June-2015
No. required: 1 By: Group A
Function: Phase change
Operation: Continuous
Tube side: Tubes: 3/4 in. OD, 16 BWG

Fluid handled: Hot 270 number of tubes each 16 ft long
Flow rate: 42032.86 lb/h Passes: 2
Temperature: 507.2ºF Pitch: 1 in square
Pressure drop: 1.06 psi
Shell side: Shell: 21.25 in dia.

Fluid handled: Cold Passes:1
Flow rate: 35423.98 lb/h Baffles spacing: 4.25 in
Temperature: 160 ºF
Pressure drop: 1.83psi
UD assumed: 270 Btu/h.ft2 oF UD calculated: 251Btu/h.ft2 oF
Uc calculated: 282 Btu/h.ft2 oF Calculated dirt factor (Rd):0.0000671Btu/h.ft2

o
F
59
5.2 Design of reactor:

350 °C
F = 16101.81 kg/h
IPA = 88 %
Water =12 %
F = 16101.81 kg/h
Acetone = 38.24 %
350 °C Hydrogen = 38.24 %
Water =19 %
Unreacted IPA= 4.2 %
5.2.1 Description of the process in the reactor:

The reaction occurring in the reactor is in vapor phase. So the isopropyl alcohol is first
vaporized and then passed from the reactor. The process is continuous. Since the
dehydrogenation of the isopropyl alcohol is the endothermic reaction, so heat has been
supplied to the reactor to maintain the temperature at 350 °C. For heating purpose the
molten salt is used. The molten salt is circulated through the small scale furnace where it
is heated and its temperature is raised above the 350 °C and this heated molten salt is
used to provide the heat to the reaction during the process. In order to heat the molten
salt in the furnace, natural gas is burned in the furnace in the limited amount and this
amount of heat is used to heat the molten salt which in turn provides the heat to the
reaction.
5.2.2 Selection of the type of reactor:

Choice of reactor (Batch, CSTR or PFR):
Selection of the reactor type for a given process is subjected to a number of
considerations:
 Temperature and pressure of the reaction.
 Need for removal or addition of the reactants and products.
 Required pattern of the product delivery.
 Catalyst use consideration such as requirement for solid catalyst particle and
contact with fluid reactants and products.
 Relative cost of the reactor.
60
Some guideline for the reactor selection is:

 For conversion up to 90%, the performance of five or more CSTRs connected in
series approaches to that of PFR.
 Batch reactors are best suited for small scale production, very slow reactions or
those requiring intensive monitoring and control. For large operations CSTR or
PER is used.
 CSTRs are used for slow liquid phase and slurry reactions. For gas phase
reactions PER is more preferable.
 For endothermic reactions the plug flow reactor is used. For exothermic reaction
that has a large temperature raise during the reaction, recycle reactors are the best
choice.
 For small Cp ⁄-∆Hr mixed flow reactor is used. For large Cp ⁄-∆Hr plug flow
reactor is best choice.
Since our reaction is the gaseous phase and endothermic reaction so the choice is the
tubular reactor.
Choice of the bed (Fixed, fluidized or moving):
Use of the catalyst requires modifications to basic reactor design to fixed bed reactors,
moving bed reactors or fluidized bed reactors.
Fixed bed reactors:
These are used in the heterogeneous catalyst reactions and pressure drop across the bed
is small. The design of the fixed bed reactor is very easy as compared to the moving bed
and fluidized bed reactors. Their size is also compact as compared to other fluidized bed
and moving bed reactors. The energy requirement is also small because no amount of
energy is needed as in fluidized bed and moving bed required to fluidize or move the
bed.
Fluidized bed reactors:
These are the reactors with a gas phase working fluid that requires gas flow around and
across the fine particles at a rate sufficient to fluidize the particles suspended within the
reactor. Since the catalyst bed has to be fluidized so the energy requirement in these
reactors is large. Pressure drop is also large as compared to the fixed bed reactors because
the pressure is dissipated to fluidize the bed. The volume of the reactor required is also
large as compared to fixed bed reactor, because the void spaces between the fluidized
beds occupy the more volume.
Moving bed reactor:
These units are fluid reactors used where the fluid contain solid particles that can be
separated from the suspension fluid. Mostly suitable for liquid phase reactions or where
the slurry travels through the reactor. Moving bed reactors are not preferred for the gas
phase reactions. In these reactors the pressure drop is the greater among all.
From above points we see that the suitable reactor for our process is fixed bed tubular
reactor, with the reaction occurring in the tubes and the heat exchanging material
flowing outside the tubes.
61
5.2.3 Design steps for the reactor:

Standard design steps for the reactor are given below:
 Collect together all the kinetic and thermodynamic data on the desired reaction
and the side reactions (if present). The kinetic data required for reactor design
will normally be obtained from laboratory or pilot plant studies. Values will be
needed for the rate of reaction over a range of operating conditions: pressure,
temperature, and flow-rate and catalyst concentration.
 Collect the physical property data required for the design.
 Identify the predominant rate-controlling mechanism: kinetic, mass or heat
transfer.
 Choose a suitable reactor type, based on experience with similar reactions, or
from the laboratory and pilot plant work.
 Make an initial selection of the reactor conditions to give the desired conversion
and yield.
 Size the reactor and estimate its performance. Exact analytical solutions of the
design relationships are rarely possible; semi empirical methods based on the
analysis of idealized reactors will normally have to be used.
 Select suitable materials of construction.
 Make a preliminary mechanical design for the reactor: the vessel design, heat-
transfer surfaces, internals and general arrangement.
 Cost the proposed design, capital and operating, and repeat steps 4 to 8, as
necessary, to optimize the design.
The design of the reactor must satisfy the following requirements:
Chemical factors:
The design must provide sufficient residence time for the desired reaction to proceed to
the required degree of conversion.
Mass transfer factors:
For example with heterogeneous reactions the reaction rate may be controlled by the rates
of diffusion of the reacting species; rather than the chemical kinetics.
Heat transfer factors:
Removal or addition of the heat of the reaction.
Safety factors:
The confinement of hazardous reactants and products, and the control of the reaction and
the process conditions.
62
Feed to the reactor:

Feed used for the preparation of the acetone is 88% weight solution of the isopropyl
alcohol. Here we are using the 88 weight percent solution of the isopropyl alcohol
because commercially isopropyl alcohol is available in two grades.
Anhydrous
88% by weight.
Due to which we are using the 88 weight percent solution of isopropyl alcohol.
5.2.4 Design calculations:

 Performance equation for the reactor:
The performance equation for the fixed bed tubular reactor is:
XA
W dXa
= ∫
FAo -rA
0
Where W is the weight of the catalyst, FAo is the flow rate of the isopropyl alcohol, −rA is
the rate of the reaction. The weight of the catalyst is found from this performance
equation.
Since the rate equation of reaction is
-rIPA = K CIPA
In the form of conversion the rate equation becomes
1 − XA
−rA = K CAo ( )
1 +∈A XA
Where
−Ea
K = K o exp [ ]
RT
m3 gas
K o = 3.51 × 105
m3 bulk catalyst
Mj Kj
E = 72.38 & 72380
Kmol Kmole
T = 350 C & 623 K

m3 atm
R = 0.082
kmol k
63
P = 2 bar &1.81 atm

CAo = YAo CT0
YAo = 0.68 mol fraction

p
CTo =
RT
1.81 atm.kmol.K kmol

CTo = 2
= 0.035 3
0.082 m atm × 623 K m
kmol
CAo = 0.68 × 0.035 = 0.0238
m3
∈ = 𝑌𝐴𝑜 𝜕 = 0.68 × 1 = 0.68
-72380
K = 3.51×105 exp [ ]
8.314 × 623
m3 gas
K = 0.2999 m3 bulk catalysts
1- XA
-rA =K CAo ( )
1+∈A XA
-rA =1.832 × 10-3
64
 Variation of inverse of rate law with conversion:

Table-5.1: Variation of inverse of rate law with conversion.
Conversion (X) Inverse of rate law (1/-ra)
0 125944.5
0.1 149454.2
0.2 178841.3
0.3 217145.8
0.4 267002.5
0.5 337531.4
0.6 443324.9
0.7 619647.3
0.8 972292.1
0.9 2030226.7
2500000
Inverse Of Rate Law (1/-ra)

2000000
1500000
Inverse of rate
law (1/-ra)
1000000
500000
0
0 0.2 0.4 0.6 0.8 1
Conversion (X)
Figure 5.1: Variation of inverse of rate law with conversion
65
Table-5.2: Variation of conversion with temperature.
Temperature (°C) Conversion (X) %
300 46.3
310 55.4
320 64.6
330 73.4
340 83.5
350 90
100
Conversion (X) %
80
60
Conversion (X)
%
40
20
0
300 310 320 330 340 350
Temperature (°C)
Figure 5.2: Variation of conversion with temperature
66
From graph area under the curve and by Simpson’s 1/3 rule
So
XA
dXA
∫ = 372473.58
-rA
0
 Weight of catalyst:
Weight of the catalyst = FAO × 372473.58
= 18623.67 kg
 Volume of catalyst:
Particle density of the catalyst = 8940 kg/m^3
Volume of the catalyst = Weight of catalyst/Density
= 2.08 m^3
Diameter of tube = 0.05 m
Diameter of particles = 0.003 m
Void fraction = 0.4
 No. of tubes:
From TEMA standards, the length of tube = L = 20 ft & 6.098 m
Volume of one tube = Π × D^2 × L/4
= 0.011 m^3
Number of tubes = Volume of catalyst/Volume of one tube
= 189 tubes
 Height of reactor:
Allowance of the reactor height is 20% - 50% of the shell height.
Shell height = 6.098 + (2 × 0.20 × 6.098) = 8.53 m
 Volume of reactor:
From D. Q. Kern, take the shell ID = 35 in & 0.88 m
Volume of reactor = Π × D^2 × L/4
= 5.66 m^3
 Space time:
Space time = Volume/Volumetric flow rate
= 5.66/0.300
= 18 min
67
 Pressure drop:
For the fixed bed reactor to operate economically the pressure
drop along the length of the reactor should be less than the 10% of the operating pressure.
The pressure drop along the length of the packed bed is calculated by using the Ergun
equation. The Ergun equation is:
∆P 150 μ G(1-∈)2 G2 (1- ∈)

= +1.75
L K.g.ρ D2 ∈3 K.g.ρ D ∈3
Where
∆P = Pressure drop along the length of reactor = ?
L= Length of reactor = 8.53 m
μ = Viscosity of the gaseous feed=0.000564 lb⁄ft.h
G = Mass velocity = 535.20 lb⁄ 2

ft .h
ρ = Feed density = 0.1215 lb⁄ 3
ft
D = Diameter of the particle = 3 mm = 0.00098 ft
∈ = φ = Porosity = 0.4
g = Gravitational constant
K = Conversion factor = 0.9
By putting all the values in the Ergun equation:
∆P = 0.20 bar
The operating pressure is 2 bar.
The pressure drop along the length of the reactor is less than the 10% of the operating
pressure. So the design is accepted.
68
Specification sheet
Reactor
ID number: R-1101 Date: 5-June-2015

Prepared By: Group A
Description: Fixed bed tubular reactor
Checked By:
No. required: 1
Process stream conditions
Inlet flows
Vapor feed 343.50 kmol/h Isopropyl Alcohol (88%), Water (12%)
Outlet flows
Vapor effluent 556.04 kmol/h Isopropyl Alcohol (0.04%), Water (0.19%), Acetone
(0.38%), Hydrogen (0.38%)
Operating conditions
Inlet Exit
Temperature (°C) 350 Temperature (°C) 350
Pressure (bar) 2 Pressure (bar) 1.8
Design data
Type Fixed Bed Tubular
Position Vertical
Material of construction Carbon steel
Volume (m3) 5.66
Tube diameter (m) 0.05
69
5.3 Furnace design:
350℃
410℃
Air ng
Design calculations:
 Average heat flux:
Assumed average heat flux = 10,000 Btu/h.ft2
∑∅
= 2  average flux
αAcp
∑∅
= 2  10,000
αAcp
∑∅
= 20,000 Btu/h.ft2
αAcp
 Overall exchange factor:

Assume Overall Exchange factor = f = 0.6
∑∅
= 33333.33 Btu/h.ft
αAcp
 Tube surface temperature:

Inlet temperature of fluid in the tube = 357 ℃
Outlet temperature of fluid from the take = 407 ℃
We can assume tube surface temp above leaning temperature = 430℃ & 806℉.
Evaluate TG from fig 19.14, from book of D.Q kern

TG = 1610 ℉ & 876 ℃
 Total heat duty:
70
Qnet = 3.596 × 106 kcal/h

∅
QF = η
3.596  10 6
QF= kcal/h
0.75
Kmol Btu
QF = 4.794  106 & 1.902  10 7
h h
Q
Fuel consumption = qF = lowering heatingF value of fuel
Methane is fuel and lower heating value of methane = 21500 Btu/lb
1.902  107
qF =
21500
lb
qF =884.654
h
25% excess air corresponding to 17.44 lb air/ lb fuel
Air required = qF × lb air/ lb fuel
= 884.654 × 17.44
=15428.313 lb/h
Entering temp of air = 357C & 674.6F & 1134.6 R
Enthalpy of entering air =HA = 4711.49 Btu/lb fuel
= 162.49 Btu/lb.
QA = HA  qA = 2506483.73 Btu/h
QW = 2% at QF
2.0
QW =  1.902  107
100
QW = 380400 Btu/lb
Amount at fuel consumed
884.654
QF =
16
QF = 55.29 moles
From equation:
71
CH4 + 2O2  CO2 + 2H2O

Oxygen Consumed = 55.29  2 = 110.58 moles
As oxygen is supplied in 20% excess so
Oxygen supplied = 110.58  1.2 = 132.696 moles
Oxygen in flue gas =132.696 – 110.58 = 11.6 moles
0.79
Nitrogen in flue gas = 132.696  =499.18 moles
0.21
CO2 in flue gases = 55.29 moles
H2O in flue gases = 2  55.29 = 110.58 moles
TG = 1610F or 2070R
From book of Himmelblau take fuel ratio.

qN2 = 499.18  1157 = 5775512.6 Btu/h
qO2 = 22.116  12100 = 267603.6 Btu/h
qH20 = 10.58  13100 = 1448598 Btu/h
qCO2 = 55.29  17900 = 989691 Btu/h
QG = q N2 + qO2 - qHW - qCO2
QG = 3604827.2 Btu/h
Now net heat load:
Q = QF + QA – QW – QG
Q = QNet – Qa
Q = 17541256.53 Btu/h
 Tube specifications:
Assume tube length = 30 ft
Diameter of tubes = 0.83 ft.
Centre to centre distance =1.6 ft
Surface area of tubes = As = DL=   0.0.83  30
= 78.186 ft2
Heat transferred per tube:
72
Qtube = area flux  surface area of tube

= 10,000  78.186
Qtube = 781860 Btu/h
Q ( Btu / h)
No at tubes =
Qtube
17541256 .53
=
781860
= 22 tubes
 Diameter of furnace:
2  R = No of tubes  C – C distance
1.6*1.6
=
2*3.14
Radius = 5.60 ft
Diameter = 11.2 ft
 Effectiveness factor:
C  C dis tan ce
=
O D at tubes
20
= =2
10
From Fig 19.11, book of D.Q. Kern
 = 0.87
 Cold surface plane area:
Acp = (no at tubes) (length at each tube) (C – C distance)
= 22  30  1.6
= 1055 ft2
 Total area of furnace:
AT =   11.2  30
AT = 1055.04 ft2
AR = AT - Acp
= 1055.04 – (0.87  1055)
73
=136.050 ft2
AF 136
  0.148
ACP 0.87  1055
 Mean beam length:

Using table 19.1, book of D.Q. kern
L = 2/3  d for (d d)
L = 2/3  11.2
L = 7.46 ft
 Emissivity of gas:
From Graph given in Nelson (18.16)
For 20% Excess air
 at H2O + CO2 = 0.178 atm
From reaction:
CH4 + 2O2  CO2 + 2H2O
 at CO2 = 1/3  = 1/3  0.178 = 0.059 atm
 at H2O = 2/3  = 2/3  0.178
 at H2O cap = 0.118 atm
CO2 using PP at CO2 = 0.0593 atm
TS = 806F TG = 1610F
qCO2 = 280 Btu/h.ft2 qCO2 = 1780 Btu/h. ft2
qCO2  L = 280  7.4 qCO2  L = 1780  7.4
qCO2  L = 2072 Btu/h.ft qCO2  L = 12728 Btu/h ft
H2O using pp at H2O = 0.118 atm.
74
TS = 806F TG = 1610F
qH2O = 380 Btu/h.ft2 qH2O = 1700 Btu/h ft2
qH2O  L = 380  7.4 qH2O  L = 1700  7.4
qH2O  L = 2812 Btu/h.ft qH2O  L = 12580 Btu/h.ft
From Fig 19.12 kern

% correction = 6.25 %
4
 T 
qb = 0.173 Eb  
 100 
Eb = 1
 1610  460 
4
qb at TS = 0.173  1   
 100 
= 31763.4 Btu/h. ft2
 q  QH 2O Ta  qCO 2  QH 2O TS   100  % cor 

EG =  CO 2  
 qb Ta  qb TS   100 
 11730  12280   1932  2622   100  6 

EG =   
 31763 .4  4444.44   100 
EG = 0.74  0.937
EG = 0.68
From Fig 19.15 kern
AF/Acp = 0.149
EG = 0.689
f = 0.62
Which is very close to true assumed value of f = 0.6
 17541256 .53
 
ACP f 0.87  1056  0.62

  31300 .24
ACP f
 Calculate actual TG:
75
From Fig 19.14,


= 31300.24
ACP f
Ts = 800F
TG = 1580F
(Assumed TG was 1610F which is not far away from 1580F. Hence we can consider
our calculation and assumptions correct).
76
Specification sheet
Equipment name Furnace
Operation Continuous
Material of construction Stainless steel
Inlet temperature 350 0C
Outlet temperature 410 0C
Total heat duty 17541256.5 Btu/h
NO. of tubes 22
Fuel Natural Gas
Heat Flux 10000 Btu/(h ft2)
Total surface area of furnace 1055 ft2
77
5.4 Design of cooler:

Water in= 127164.8 lb/h
t1= 77 °F
m IPA = 31173.12 lb/h
mH2O = 4250.86 lb/h CW in
m IPA = 31173.12 lb/h
mH2 = 935.19 lb/h mH2O = 4250.86 lb/h
m Acetone = 27120.5 lb/h mH2 = 935.19 lb/h
m Acetone = 27120.5 lb/h
T1 = 202.4°F
T2 = 177.8 °F
CW out
t2 = 113 °F
Water out = 127164.8 lb/h
5.4.1 Design calculations:

Process conditions required
Hot fluid: T1, T2, W, c, s, µ, k, Rd
Cold fluid: t1, t2, w, c, s, µ, k, Rd
For the exchanger the following data must be known
Shell side (mixture) Tube side (water)
ID =15.25 inches . Number and Length= 124, 15 ft.
Baffle Spacing (B) = 3.05 in. OD, BWG, Pitch=0.75 in, 16,1in square.
Passes =1 Passes=2
 Step-1:
Heat Balance:
Q = WC(T1 − T2) Q = wc(t2 − t1)
Btu Btu
Q = 8767772.5 Q = 8767772.5
h hr
78
 Step-2
True LMTD:
(T2−t1)−(T1−t2)
LMTD = (T2−t1) =308oF
ln
(T1−t2)
t2−t1 T1−T2
S = T1−t1 = 0.059 R= = 12.7
t2−t1
FT =0.94
∆t = LMTD × FT =289.5 F
 Step-3
Caloric Temperature Tc & tc:
Only for mixture find the caloric temperature difference is more
o
than 100 F.
Kc=0.87
Fc=0.18
Tc= 284.8oF
Trail:
Assume
Btu
UD = 90 (h)(ft2 )(F)
Q
A = UD∆T = 316 ft2
Tube specification:
At ¾ in OD and 16 BWG
Surface per lin ft = at = 0.1963 ft2
A
Number of tubes = N = L∗at = 107
Select number of tubes, shell ID and passes at ¾ in. OD tubes on 1 in. square pitch.
Corrected number of tubes = N = 124
Number of passes = n = 02
Shell ID = 15.25 in.
79
Corrected area and overall heat transfer coefficient, UD:

Area = A = N × L × at = 365 ft2
Q Btu
UD = A∆T = 77 (h)(ft2 )(F)
 Step-4:
Shell side: Tube side
Flow area: Flow area:
as = Ds×C×B/144 at = (Nt×at')/144 × n
as = 0.080 ft2 at= 0.130 ft2
 Step-5
Mass velocity: Mass velocity:
Gs = W/as Gt = w/at
Gs=442787.5 lb/h.ft2 Gt= 1872917.5 lb/h.ft2
Tc= 284.8 F Tav=154 F
µ = 0.387 lb/h.ft µ = 0.051 lb/h.ft
De = 0.079 ft
 Step-6
Reynolds number: Reynolds number:
Res= (De × Gs)/u , Ret= (D×Gs) /u
Res= 90388 Ret= 81554.8
 Step-7
jH factor jH factor
jH = 176.000 jH = 200
80
 Step-8
Prandtle number: Prandtle Number:
(C× u/K)(1/3) = 0.12 (C× u/K)(1/3)= 0.2
 Step-9
Heat transfer coefficient: Heat transfer coefficient:
ho= (jH× K)/(De) (C × u/K)(1/3) (θs) hi= (jH× K)/(De) (C × u/K)(1/3) (θt)
ho = 267.34 (Btu)/(h.ft2.oF) hi =1162 (Btu)/(h.ft2.oF)
θt & θs = Viscosity correction factor for the trail = 1
 Step-10
Correct hi:
ID
hio = hi×
OD
Btu
hio = 960.5
h. ft2 . F
 Step- 11
Overall clean coefficient:
hio ho (Btu)
Uc = hio+ho = 209 (h)(.ft2) (.F)
 Step- 12
Dirt factor:
Uc−Ud (h)(ft2 )(F)
Rd = = 0.006326
Uc Ud Btu
81
 Step- 13
Shell side: Tube side:
Pressure drop: Pressure drop:
fGs2 Ds(N+1) (f)(Gt2 )(L)(n)
∆Ps = 5.22×1010 De Sθs ∆Pt = 5.22×1020 (D)( S)(Qt)
∆Ps = 7.3 psi ∆Pt = 5 psi
82
Specification sheet
Cooler
Identification: Shell and tube heat exchanger Date: 5-June-2015

Function: Condense vapor.
Type: 1-2 horizontal heat exchanger
Btu
Heat duty: 8767772.5 Outside area 365 ft2
h
Tube side: Tubes: 3/4 in. OD. 16 BWG

Fluid handled: Cold 124 number of tubes each 16 ft
long
Flow rate: 243479.28 lb/h
Passes: 2
Temperature: 59 to 95℉
Pitch: 1 in square
Pressure drop: 5 psi
Shell side: Shell: 10 in dia.

Fluid handled: Hot Passes: 2
Flow rate: 35423.9 lb/h Baffles spacing: 2 in
Temperature: 662 to 202℉
Btu Btu
UD assumed: 90 UD calculated: 77 (h)(ft2 )(F)
(h)(ft2 )(F)
(Btu) Calculated dirt factor (Rd):

Uc calculated: 209
(h)(.ft2) (F) (h)(ft2 )(F)
0.006326 Btu
83
Specification sheet
Condenser
Identification: Shell and tube heat exchanger Date: 5-june-2015

Function: Condense vapors.
Type: 1-2 horizontal heat exchanger
Btu
Heat duty: 10843601 Outside area 954 ft2
h
Tube side: Tubes: 3/4 in. OD. 16 BWG

Fluid handled: Cold 324 number of tubes each 16 ft
long
Flow rate: 127164.8 lb/h
Passes: 2
Temperature: 82 ºF to 118℉
Pitch: 1 in square
Pressure drop: 0.335* psi
Shell side: Shell: 23.25 in dia.

Fluid handled: Hot Passes: 2
Flow rate: 63479 lb/hr Baffles Spacing: 4.65 in
Temperature: 202.4 to 177.8℉
Btu Btu
UD assumed: 100 UD calculated:90 (h)(ft2 )(F)
(h)(ft2 )(F)
(Btu) Calculated dirt factor (Rd):

Uc calculated: 125
(h)(.ft2) (F) (h)(ft2 )(F)
0.00311 Btu
84
5.5 Design of phase separator:
Acetone = 20.4%
T = 81 ℃ Hydrogen =76%
IPA = 0.6%
Water =2.910%
V = 3989.584 kg//h
T = 81℃
Acetone = 38.2% Phase Phase
Hydrogen = 38.2% Separat Separator
IPA = 4.2% or
Water =19.3% Acetone = 56%
F =16098.48 kg//h Hydrogen = 0%
IPA = 7.8%
T = 45℃ Water =35.8%
L = 12109.58 kg//h
Design calculations:
 Vapor density:
PM
Vapor density = ρ = RT
1.5×50 kg
ρ = 0.082×354 = 2.58 m3
 Volumetric flow rate of gas:

kg
Mass flow rate of the gas= 3989.572 m3
3989.572 m3
Gas volumetric flow rate= = 1546.34
2.58 h
Gas volumetric flow rate= 0.429 Kg/s

kg
Density of liquid = 857 m3
 Terminal velocity:
ρL-ρV 1/2
Terminal velocity = Ut = [ ]
ρV
Ut = 1.27 m/s
85
 Surge velocity:
Surge velocity = Us = 0.15× Ut
Us = 0.15× 1.27
Us = 0.190 m/s
 Diameter of vessel:
4×0.429
Diameter of vessel = Dv = √3.14×0.190
Dv = 1.695 m & 5.54 ft

 Volume hold in vessel:
kg
Liquid mass flow rate = m = 12067.584 m
Liquid volumetric flow rate = 12067.58/857 = 0.0039 m3/s

Allow 10 minute hold up
Volume hold in vessel = liquid volumetric flow / time
Volume hold in vessel = 0.0039×1200
Volume hold in vessel = 2.34 m3
 Liquid depth:
Liquid depth required = volume hold up/vessel cross section area
2.34
Liquid depth required = (pi )
(1.69)2
4
Liquid depth required =1.04 m
86
Specification sheet
Phase Separator
Type Vertical
Functions Separating vapor
Operation Continuous
Operating pressure 1.5 bar
Operating temperature 81℃
Gas flow rate 3989.584 kg//h
Liquid flow rate 12109.58 kg//h
Diameter of vessel 1.695 m
Length of vessel 3.37 m
Volume of vessel 2.34 m^3
Material of construction Carbon steel
87
5.6 Design of scrubber:
5.6.1 Designing steps of scrubber:

 Calculation of diameter of column:
Flow rate of entering gases = G =3989.5 Kg/h
Flow rate of entering solvent=L= 25542.6 Kg/h
Temperature of entering gas= Tg = 81 oC = 354 K
Temperature of entering solvent = TL = 30 oC = 298 K
Pressure of entering gases = P = 1.4 atm
Average molecular weight of entering gases = 34 Kg
Density of gas mixture = ρg = PM /RTg
= (1.4×34) /(0.08205×354)
= 1.63Kg/m3
88
Density of liquid solvent at 30oC = ρL = 1011Kg/m3

Viscosity of liquid solvent at 20 oC = µL =1.8 cp
Viscosity of gaseous mixture at 81 oC = µg = 0.150 cp
Now,
Abscissa of fig 11.44
L g
= 0.27
G L
For pressure drop 42 mm of H2O /m of packing

K4 = 1.68
Packing factor for 3-inch ceramic intalox - saddles = Fp = 22
G* = [k4× ρg × (ρL-ρg) / 13.1×Fp× (µL /ρL) 0.1] ½
G*= [1.68×1.63× (1011-1.63) /13.1×22× (1.8×10-3 /1011)0.1]1/2
G*=6.60 Kg/m2-sec.
Flow rate of gas entering = G = 3989.5 /3600
= 1.108 Kg/s.
As,
Area = A = G / G* = 0.167 m2
Diameter of column = D = 4[A] ½
[3.14] ½
D = 2.12 m
 Calculation of height of transfer units:

Equation for calculation of effective interfacial area is given as.
aw   
0.75
 Lw 
0.1
 Lw 2 a 
0.05
 Lw 2 
0.2

 1  exp  1.45 c     2    
 g   a
a 
 l   a L   L   L L  

89
Where
aw = effective interfacial area of packing per unit volume m2/m3
Lw = liquid mass velocity kg/m2s
a = actual area of packing per unit volume m2/m3
σc = critical surface tension for particular packing material
σL = liquid surface tension N/m
a = 92 m2/m3
Lw = 1.63 kg/m2s
σc = 61 x 10-3 N/m
σL = 70 x 10-3 N/m
µL=1.8 CP
ρL =1011Kg /m3
aw  0.75
 61   10.88
0.1 2 0.05
  10.88  92   10.88 2  
0.2
 1  exp  1.45   3 
    
 70   92 1.8 10   1011  9.8   1011  70 10  92  
3

2
92
aw = 66.2 m2/m3
 Calculation of liquid film mass transfer coefficient:
1 2 1

    L 3   
ad 
3 2
K L  L   0.0051 w   L 
0.4
 L g   aw  L    L DL 
p
KL = liquid film coefficient m/s

dp = packing size =50 x 10-3 m
DL = diffusivity of liquid = 1.14 x 10-9 m2/s
Then, by substituting the values,
KL = 2.28 x 10-4 m/s
90
 Calculation of gas film mass transfer coefficient:
1
0.7
V   g 3
 ad p 2
K G RTg
 K5  w  
aDg  a g    g Dg 
   
Where
KG = Gas film coefficient, kmol/m2s.bar
VW = Gas mass velocity = 428.396/(3600x0.0178)=6.68 Kg m2/s
K5= 5.23 (For packing size above 15mm)
Dg = Diffusivity of gas = 1.81 x 10-5 m2/s
Then, by substituting the values,
KG =1.20 x 10-4 kmol/m2s.bar
Now,
Gm
HG 
KG awP
Where,
HG = Gas-film transfer unit height
Gm = 6.68/34 = 0.196 Kmol/m2.s
Then,
HG = 0.39/(1.07 x 10-2 × 53.5 ×2.5)
= 0.43 m (for ceramic random packing, it is almost 0.4)
Lm
H 
L K L awCt
And ,
HL= Liquid-film transfer unit height
Lm= 10.88/18 = 0.60 Kmol/m2.s
Ct = Concentration of solvent = 1011/18 = 56.16 Kmol/m3
HL = 0.60/(2.28 × 10-4 × 66.2 ×56.16)
= 0.70 m
91
 Calculation of height of transfer units:
mGm
H oG  H G   HL
Lm
HG = 0.40 m
HL = 0.28 m
So,
Height of transfer units = HOG = 0.43 + 0.32 × 0.70
HOG = 0.65 m ( range is 0.6 to 1m)
 Equation for equilibrium curve:

Let
Y1= Mole fraction of acetone in entering gas stream = 0.204
Y2 = Mole fraction of acetone in leaving gas stream = 0.038
Y1/Y2 = 0.204/0.038 = 5.368
As
Gm (y1 – y2) = Lm(x1 – x2)
y1 – y2 = (Lm/Gm)( x1 – x2)
The above equation is in the form y = mX + 0
From figure 11.40, we can find out the NOG using Y1/Y2 & mGm/Lm. Where ‘m’ is
slope of equilibrium line.
Colburn has suggested that the economic range for mGm/Lm lies from 0.7 to 0.8. For
our system,
M = 0.72
Gm/Lm = 3989.5/25542.6 = 0.14
mGm/Lm = 0.10
Area under the curve= NOG = 7.8
92
 Calculation of height of tower:

Total height of packing = Z = NOG × HOG
Z = 7.8 × 0.65 = 5 m
Allowances for liquid distribution = 1m
Allowances for liquid Re-distribution =1m
Total height of tower = 5 + 1 + 1
Zt = 7 m
Total height of tower = 7 m
 Calculations of operating velocity:

From fig 11.44
L g = 0.04
G L
Operating velocity of gas

G2 ×Fp×µL0.1 / ρg (ρL - ρg)gc = 0.046
G =9.81 m/sec
 Calculation of flooding velocity:
L
g
= 0.04
G 
 L  g 

 
Operating velocity at flooding for dumped packing,
G2 ×Fp×µL0.1 / ρg (ρL - ρg)gc = 0 .13 (From Ludwig, 2nd vol)

G = 17.15 m/sec
Operating velocity as % of flooding velocity = (9.81/17.15) ×100
= 57% (Operating velocity must be 50-90% of flooding velocity)
93
 Calculation of wetting rate:
Wetting rate = Liquid volumetric flow rate per unit cross-sectional area
Specific area of packing per unit volume
Liquid volumetric flow rate/Unit cross-sectional area = 3989.5/(3600×1011×0.167)

= 6.56×10-2 m3/m2-s
Specific area of packing = 92 m2/m3
Wetting rate = 7.13×10-4 m3s-1/m2
 Calculation of pressure drop at flooding:
Pressure drop at flooding is given by relation.

ΔPflooding = 0.115Fp 0.7
Where,
ΔPflooding= pressure drop at flooding.
Fp =packing factor for 3-inch ceramic intalox saddles = 22
ΔPflooding = 0.115(22)0.7
= 1 in.H2O/ft of packing (For 3-in packing size,it should be 0.7
to 1.5 in.H2O/ft of packing)
ΔPflooding = 0.8kPa/m of packing
 Calculation of total pressure drop:

From figure 22.6, MCcab & Smith (5th Ed.)
Gx y
Gy  x   y  = 0.04
Here, Gx = L (lb/s.ft2)
Gy = G (lb/s.ft2)
94
 =  (lb/ft3)
y g
 = L (lb/ft3)
x
Also,
G2 ×Fp×µL0.1 / ρg (ρL - ρg)gc = 0.069
Then ,
ΔP = 0.6 in.H2O/ft of packing
ΔP =1.9 in. H2O/m of packing
ΔP = 47.5 mm H2O/m of packing (Recommended pressure drop for
absorber is 15 to 50 mmH2O/m of packing, topic 11.14.4, Coulson & Richardson)
Total pressure drop = 47.5 x 5= 237.5 mmH2O/m of packing
Total pressure drop = 2.32 kPa/m of packing.
95
Specification sheet
Identification:
Item: Packed Absorption Column
Item No: A-104
No. required: 01
Function: To remove hydrogen from mixture of gases
Entering gas Exit gas Liquid entering Liquid leaving

Kg/h Kg/h Kg/h Kg/h
3989.5 428.396 25542.6 29103.8
Design data:
No. of transfer units = 7.8
Height of transfer units = 0.65 m
Height of packing section = 5 m
Total height of column = 7m
Diameter = 2.12m
Pressure drop = 2.32kPa/m of packing
Internals:
Size and type = 66 mm Intalox saddles
Material of packing: Ceramic
Packing arrangement: Dumped
Type of packing support: Simple grid & perforated support
96
5.7 Design of distillation column:

In industry it is common practice to separate a liquid mixture by distilling the
components, which have lower boiling points when they are in pure condition from those
having higher boiling points. This process is accomplished by partial vaporization and
subsequent condensation.
5.7.1 Distillation:
“Process in which a liquid or vapor mixture of two or more substances is separated into
its component fractions of desired purity, by the application and removal of heat”.
The column may be trayed or packed. The column consist of two section, the
rectification (or refining) section above the feed, the striping section below the feed. Heat
is supplied to the reboiler at the bottom of the column and removed in the condenser at
the top of the column. the feed enters at some intermediate plate in the column.
Distillate is removed from the top of the column, the purity being determined by the
number of trays in the column and the quality of column in the condensate returned to
the column, i.e. reflux ratio, R=L/D.
5.7.2 Types of distillation columns:

There are many types of distillation columns, each designed to perform specific types of
separations, and each design differs in terms of complexity.
 Batch columns
 Continuous columns
5.7.3 Choice between plate and packed column:

Vapor liquid mass transfer operation may be carried either in plate or packed column.
These two types of operation are quite different. The relative merits of plate over packed
column are as follows:
 Plate column are designed to handle wide range of liquid flow rates without
flooding.
 If a system contains solid contents; it will be handled in plate column, because
solid will accumulate in the voids, coating the packing materials and making it
ineffective.
 Dispersion difficulties are handled in plate column when flow rate of liquid are
low as compared to gases.
 For large column heights, weight of the packed column is more than plate column.
 If periodic cleaning is required, man holes will be provided for cleaning. In
packed columns packing must be removed before cleaning.
 For non-foaming systems the plate column is preferred.
97
 Design information for plate column is more readily available and more reliable
than that for packed column.
 Inter stage cooling can be provided to remove heat of reaction or solution in plate
column.
 When temperature change is involved, packing may be damaged.
Our mixture which is to be processed is “Water, Isopropyl alcohol, Acetone”. I’ve

selected plate column because:
 System is non-foaming.
 Temperature variation is high i.e. 90C.
 Non corrosive
5.7.4 Selection of tray type:

Most frequently used trays in industrial distillation columns are
 Bubble cap tray

 Sieve tray
 Valve tray
Table-5.3: Selection criteria of trays:
Parameter Sieve tray Valve tray Bubble cap tray

Capacity High High to very high Moderately high
Efficiency High High Moderately high
Entrainment Moderate Moderate High
Pressure drop Moderate Moderate High
Cost Low 20% higher than 2-3 times higher than
sieve tray sieve tray
Maintenance Low Moderate High
Fouling Low Low to moderate High
Effect of Low Moderate High
corrosion
I have selected sieve plate because:
 They are lighter in weight and less expensive. It is easier and cheaper to install.
 Pressure drop is low as compared to bubble cap trays.
 Peak efficiency is generally high.
 Maintenance cost is reduced due to the ease of cleaning.
98
5.7.5 Main components of distillation columns:

Column internals such as trays/plates and or packing which are used to enhance
component separations.
 A re boiler to provide the necessary vaporization for the distillation process. The
liquid removed from the re boiler is known as the bottoms product or simply,
bottoms.
 A condenser to cool and condense the vapor leaving the top of the column. The
condensed liquid that is removed from the system is known as the distillate or top
product.
 A reflux drums to hold the condensed vapor from the top of the column so that
liquid (reflux) can be recycled back to the column. The condensed liquid is stored
in a holding vessel known as the reflux drum. Some of this liquid is recycled back
to the top of the column and this is called the reflux.
99
5.7.6 Design steps:
Qreleased = 5.223 × 106 KJ/h
Water = 83449 Kg/h

Feed = 41213.450 kg/h Reflux drum
Top Product
Acetone = 29.89 %
Acetone = 99.9 %
IPA =3.43%
IPA = 0.1 %
Water =66.66%
Water =0 %
T = 45 ̊C D =11527.8 kg/h
B.P = 93 ̊C
D.P = 104 ̊C
Kj
Qsupplied = 6.596 × 107
h
T = 112 ̊C
 Volatility calculations:
Feed temperature = B.P = 93 ̊C
Operating pressure =1.3 bar
For volatility calculations, first step is to determine bubble point and dew point of feed,
top product and bottom product.
For bubble point and dew point calculations, we need K-values of all components.
To calculate K-values at given temperature, vapor pressure data of all feed components
is taken from literature and K-values are calculated using relation
Ki = Pi/ P
Where Pi = Vapor pressure of component i.
P = Operating pressure of column
100
For bubble point calculations, assume a temperature, calculate K-values and the
temperature at which
∑yi= ∑(Ki*xi) =1
is bubble point. Same methodology used for dew point calculations and relation to be
used is
∑xi=∑(yi/Ki)=1
Adopting this procedure bubble and dew points of feed, top product, bottom product were
calculated and they comes out to be
Feed bubble point= 93 ̊C
Feed dew point= 104 ̊C
Top product dew point=69 ̊C
Bottom product bubble point=112 ̊C
From feed temperatures it can be visualized that feed is saturated liquid entering at its
bubble point.
Relative volatility (α) of each component is calculated using K-value that component and
that of heavy key.
α =Ki / Kj
Where
i=light key
j=heavy key
Adopting this procedure, relative volatility of each of components in feed, top product
and bottom product is computed at their respective temperatures.
Average volatility is calculated using top, feed and bottom volatilities using relation
αavg = (αfeed*αtop*αbottom)1/3
101
Table-5.4: Relative volatility of computed component.
Component Feed R.V Bottom R.V Top R.V Avg. R.V
Acetone (LK) 3.739 2.96 5.338 3.841

IPA (HK) 1.000 1.00 1.000 1.000
Water (HHK) 0.953 0.91 1.027 0.962
Avg. R.V 3.841
 Minimum number of theoretical stages (Nmin):
Component XF XD XB
Acetone (LK) 0.299 0.990 0.001
IPA (HK) 0.034 0.010 0.0437
Water 0.667 0.00 0.9272
aLK
a LK,HK = = 3.81
aHK
   
log  XXCB XC
D XB B 

N min 
log  α BC ave
Nmin  6
 Calculation of minimum reflux ratio (Rmin):
The minimum reflux ratio can be calculated using the follow two
equations proposed by Underwood.
n
αi xi,F
α
i 1  Ø
 1 q q=1 for saturated feed
i
102
Using eq. of min. reflux ratio

n
αi xi,D
Rmin +1= ∑
αi -Ø
i=1
1<∅<3.8, so ∅=2
R min = 1.119
Minimum Reflux ratio= Rmin = 1.119
 Actual reflux ratio:

The rule of thumb is:
R= (1.2 ------- 1.5) Rmin
R = 1.3 Rmin
R actual =1.51
 Number of ideal stages:

Gilliland related the number of equilibrium stages and the
minimum reflux ratio and the no. of equilibrium stages with a plot that was transformed
by Eduljee into the relation.
N  Nmin   
 0.75 1   R  R min
0.566
N 1 
R  1 
  
From which the theoretical no. of stages to be,
N= 12 stages
 Calculation of actual number of stages:

Column Efficiency:
Average temperature of column = 90.5oC
Feed viscosity at average temperature =avg = 0.21 mPa.s
(Relative volatility of key component) ×avg = 3.71 ×0.21 = 0.783
Column efficiency can be computed using relation Using O’Connel correlation
Eo =51-32.5×log (∝avg ×µavg )
And column efficiency comes out to be=54%
103
Actual number of stages= ideal stages /column efficiency

Actual number of stages=24
 Location of feed plate:
The location of feed plate can be determined using Kirbride relation
  
2

 N
log  D



NB   

 D 
x
 0.206log  B  HK 



xLK  
xLK B

 xHK D  

No. of plates above feed plate = 12
No. of plates below feed plate = 12
Feed will enter at 12th plate from bottom.
 Determination of the column diameter:
Top tray material balance:

Reflux ratio = 1.5
D = 11526 kg/h
Ln = R × D = 17289 kg/h
Vn = Ln + D =28815.7
Bottom tray material balance:

F = 41213.4 kg/h
Q=1
L’= L + F × q = 58502.4 kg/h
V’ = V + F (q-1) = 28815.7 kg/h
T = 90.5C
ρV = 2.04 Kg/m3
ρL = 165.85 Kg/m3
Qv= 0.2270 m3/sec
QL=0.0289 m3/sec
104
 Flow parameter:
0.5
 Ln  ρ v 
FLV    
 Vn  ρ L 
FLV = Liquid vapor factor = 0.276
 Capacity parameter:
Assumed tray spacing = 18 in. = 0.45m
Fig (9.1) of , value of souders-brown coefficient
Csb(20) = 0.069 m/s
Figure 9.1: Correlation of flooding velocities for sieve trays.
105
0.5
 ρ  ρV 
Now Unf = C sb  L  = 0.274 m/s
 ρV 
Flooding velocity based on net area = 0.274 m/s
80-85% of flooding velocity is mostly used as vapor velocity for design calculations.
Choosing 80% of flooding velocity as design velocity.
Vapor velocity based on net area =Un* = 0.219 m/s
 Tower diameter:
Down comer area = Ad = 0.12AT

Net area = An = AT – Ad = 0.88 AT
Net area = volumetric flow rate of vapors/vapor velocity based on net area
An QV
AT = = =1.034 m2
0.88 0.88Un*
π
AT = D2 = 1.175 m2
4
D = 1.32 m
 Area calculations:
Down comer area = 0.12AT = 0.1410 m2

Active area of column = Tower area - 2× Down comer area
= 0.905m2
Hole area = 10% of column area
= 0.1187 m2
Hole diameter = 0.00477 m
 Calculation of height of column
Number of trays = 24
Tray spacing = 0.45 m
Height = No. of trays×tray spacing+0.9+Ls+0.25D
Where 0.9m= height given above top tray to minimize entrainment
106
Ls = Height in bottom of column for liquid surge capacity and for reboiler return
0.25D = For manholes, hand holes and gas liquid separation
Ls = 0.06×number of trays+2
Ls = 3.41 m
Height of column=15 m
Height of column /diameter =15/1.23 =12
Which is in allowable range (5 to 20)
 Tray hydraulics:
No. of holes per plate:
Hole diameter=0.00477 m
 (dh)2
Area of one hole= =1.79e-5
4
Hole area=0.11 m2
No. of holes per plate=6100
 Flooding check:
Vapor velocity=volumetric flow rate of vapors/net area
QV QV
Un = = = 0.245 m/s
An 0.88AT
 Un 
Now F =  100 = (0.219/0.2450.31)×80
 Uf 
= 83%
 Entrainment:
As FLV = 0.276 and F = 83%
From Figure 9.2, we calculate
 = 0.075
 = Fractional Entrainment factor
107
Entrainment will be

e ( L)
1 
Entrainment of liquid =1400 kg/h
 Tray pressure drop:

Pressure drop/tray= dry tray drop + wet tray drop
Assumptions:
Tray thickness(stainless steel 0.078 inches (0.0019m)

plates)
Weir length 77 % of column diameter
Weir height 2 inches
Hole diameter 0.188 inches
 Dry tray pressure drop

Hole area/active area = 0.131
Tray thickness/hole diameter = 0.414
Using graph
Discharge co-efficient for vapor flow (Cvo) = 0.75
Figure 9.2: Discharge coefficient, Sieve Plate.
108
Hole velocity (Uh) = vapor flow rate/hole area = 1.91 m/s
ρv Uh 2
hh  0.186 ( )
ρl Cvo
Dry tray drop=0.0702 m of liquid
 Wet tray drop:

Wet tray drop(hl) = β(hw+how)
where
hw = Weir height = 0.051m
how = Liquid height over weir
β = Aeration factor
 Liquid height over weir:

Weir length (lw) = 0.77× Column diameter
= 0.77 × 1.23
= 0.9471 m
Liquid flow rate ( q΄)=0.028 m^3/s
Liquid height over weir is
h  0.48( q' )2 / 3
ow
l w
how = 0.0655 m of liquid
 Aeration factor:
Kinetic energy parameter (Fva) is calculated from
F  q' (ρ )1/2
va v
A a
Fva = 0.74
From graph, for Fva = 0.74
Aeration factor = (β) = 0.67
109
Wet tray drop = (hl) = β (hw + how)

Wet tray drop = 0.090 m of liquid
 Pressure drop:
Tray pressure drop = Dry tray drop + Wet tray drop
ht = hh + hl
ht = 0.160 m of liquid
Tray pressure drop(ΔP)=ρl*g*ht = 55 Pa
Pressure drop/tray = 0.0806 psia
( Which is in allowable range)
 Weeping:
how = 0.065548013
hw = 0.0508
hlo = hw + how
hlo = 0.116 m of liquid
From graph 15.5,it can be seen that for hole area/active area ratio of 0.131, operation is
well above weeping point
110
Specification sheet
Identification
Item Acetone distillation column
No. required 1
Tray type Sieve tray
Function
Separation of acetone and IPA and water
Operation Continuous Tray thickness 2 mm
Operating pressure 1.3 bar Hole diameter 4.7mm
Number of trays 24 Weir height 50mm
Reflux ratio 1.51 Weir length 0.94 m

2
Tray spacing 0.45m Active area 0.90 m
Height of column 15 m % flooding 83
Diameter of column 1.23m Entrainment 1400 kg/kg of vapour
Pressure drop per tray 0.055 kPa Active holes/plate 6100
111
Specification sheet
Identification
Item IPA distillation column
No. required 1
Tray type Sieve tray
Function
Separation of IPA from Water
Operation Continuous Tray thickness 1.9mm
Operating pressure 1.6 bar Hole diameter 4.7mm
Number of trays 28 Weir height 50 mm
Reflux ratio 3.30 Weir length 0.95 m
2
Tray spacing 0.45m Active area 1.19 m
Height of column 16 m % flooding 80
Diameter of column 1.4 m Entrainment 636 kg/kg of vapour
Pressure drop per tray 0.048 kPa Active holes/plate 8300
112
5.8 Pump calculation:

IPA feed pump:
Inlet pressure = Pa=1 bar & 92113.63Pa
Outlet pressure = Pb=2 bar & 184227.27Pa
Density of water =1000×0.12 = 120kg⁄m3
Density of IPA =786 kg/m3 ×0.88 = 691.68kg⁄m3
ρ mixture = 811.68kg⁄m3
Ha Pa
Pa = =
g ρg
92113.63∗9.8
Ha = 811.68∗9.8
m2
Ha = 113.48
s2
Pb
Hb = ρ mixture
184227.27
Hb = 811.68
m2
Hb = 226.97
s2
Head developed = ∆H = Hb - Ha
∆H = 226.97 − 113.48
m2
∆H = 113.49
s2
Mass flow rate = 161.81kg⁄h
M = 4.472 kg⁄s
Power = ∆H. m = 4.472 × 113.49
Power =∆H. m = 507.52 J⁄s
Power =∆H. m = 507.52 Watt
Efficiency = 𝓃 = 0.68%
507.52
Power = 0.68
Power= 746.35 Watt

Power=1 hp
113
Net Positive Suction Head:

1 Pa − Pv
NPSH = ( − hfs) − Za
g d
Friction losses = hfs = 0
Height + Za = 0
Pa= 1bar = 92113.63 Pa
Vapor pressure:
IPA at 32.18℃= 0.091 bar
Water at 32.81 ℃ = 0.047 bar
P´IPA = 8382 × .88 = 7376.45 Pa
P´water = 4329 × .12 = 519.52 Pa
P´solution = 7376.45 + 519.52 = 7895.97 Pa
92113.63 − 7895.97
NPSH =
9.8 × 811.68
NPSH availible = 10.55 m
114
Specification sheet:
Pump type Single stage centrifugal pump
Inlet pressure 1 bar
Outlet pressure 2 bar
Pressure developed 1 bar
Efficiency 68%
Fluid handle Mixture of IPA & water
Fluid density 811.68 kg/m3
Power required 0.746 KW
NPSH 10.55 m
115
Chapter 6 Mechanical Design of Reactor
6.1 Design Pressure:

Operating pressure = 2 bar
Design pressure = 15% of operating pressure
Design pressure = 2 ×0.15+2
Design pressure = 0.3+2
Design pressure = 2.3 bar
6.1.1 Design temperature:

Operating temperature = 350 °C
Design temperature = 15% of operating temperature
Design temperature =350 × 0.15 +350
Design temperature = 52.5 +350
Design temperature = 402.5 °C
6.2 Thickness of the reactor:

An estimate of the thickness of the shell is obtained from the diameter of the shell. The
wall thickness of any vessel should not be less than the values given below the values
include a corrosion allowance of 2 mm.
Table-6.1: Minimum wall thickness.
Vessel Diameter (m) Minimum thickness (mm)

1 5
1-2 7
2-2.5 9
2.5-3 10
3-3.5 12
Since the diameter of the vessel is 1.708 m, so from the above table the thickness of the
shell is 7 mm.
PiDi
Thickness of the reactor shell = e = 2Jf- Pi
Pi =2.3 bar and 0.23 N/mm2

J=1 (for no joints in the head)
N
f = Stress factor = 80 (for carbon steel)
mm2
Di = 1708 mm
116
0.23 ×1708
e=
(2×1×80)- 0.23
e = 2.25 +2
e = 4.25 mm
6.3 Head selection and design:

The ends of a cylindrical vessel are closed by heads of various shapes. The principal types
used are:
 Flat plates and formed flat heads.

 Hemispherical head.
 Ellipsoidal head.
 Torispherical head.
Table 6.2: Comparison of different head design.
Flat head Torispherical head Ellipsoidal head Hemispherical head

Applicable to low Used up to the Above 15 bars Used for very high
pressure. operating pressure ellipsoidal head is pressures
of 15 bar used
Cheapest from all Above 10 bars Economical within Capital cost is high
types their cost should pressure limits
be compared with
that of an
equivalent
ellipsoidal head
So the right choice of head is torispherical head.
6.3.1 Thickness of head:
Thickness of head is calculated by:
P i RC CS
e=
2Jf+ Pi (Cs - 0.2)
1 RC
CS = (3+ √ )
4 RK
Cs = 1.77
117
R c = Crown radius = Diameter of shell = 1.708 m

R k = Knuckle radius = 0.06 R C = 0.102m
J = 1 (for no joints in the head)
f = Stress factor = 80 (for carbon steel) From the table 13.2 of Richardson &
Coulson Vol. 6.
Now putting all the values in the thickness of head is:
P i RC CS
e=
2Jf+ Pi (Cs - 0.2)
e = 4.35 mm
6.4 Vessel Supports:

The method used to support a vessel will depend on the size, shape, and weight of the
vessel; the design temperature and pressure and the vessel location and arrangement.
6.4.1 Types of supports:
 Saddle support (for horizontal vessels).

 Brackets support (for vertical vessels).
 Skirt support (for vertical vessels, particularly where the length is high and
effect of wind is prominent).
For the desired reactor, I used “Bracket supports”.
Bracket support
118
6.5 Weight of shell:
Wv=240 ×Cv ×Dm×(Hv+0.8× Dm)×t

W = Total weight of shell
Cv = 1.08
Dm = Mean diameter = (Di+t) = 1.708 + 0.0042 = 1.712m
Hv = Height of vessel = 8.53m
T = Thickness = 0.0042 m
Wv = 240 × 1.08 × 1.712 × (8.53 + 0.80 × 1.712) × 4.25
Wv = 18670.043 N
6.6 Stress calculations:
Longitudinal stress:
PiDi
σn = 2t
1708
σn = 0.23 ×
2(4.25)
N
σn = 46.21
mm2
Circumferential stress:
PiDi
σn = 4t
N
σn = 23.10
mm2
Dead weight stress:

W
σw = π(Di+t)t
N
σw = 0.022
m2
Wind loading:
Fw = Pw × Dmean
Take dynamic wind pressure as 1280N/m2 -3
Mean diameter include insulation = 1.708 + 2(4.25 + 75)×10
Mean diameter = 1.866 m
By putting values
N
Fw = 2389.12
m
119
Bending moment:
Fw
Mx = × H2
2
Mx = 86917.26 Nm
6.7 Weight of insulation:

We use mineral water as an insulation medium of 75mm thickness.
Volume of insulation.
V = π × H × di × thickness of insulation
V = 3.43 m3
Density of mineral is 130 kg/m3

Weight = Density × Volume × g
Weight = 130 × 3.43 × 9.8
Weight = 4.369 KN
Double this value allow for fitting
Weight = 8.738 KN.
120
Chapter 7 Instrumentation and Control
Chapter 7 Instrumentation and Control
7.1 Introduction:
Measurement is a fundamental requisite to process control whether that control is
affected automatically, semi automatically, or manually. The quality of control
obtainable also bears a relationship to the accuracy, reproducibility and reliability of the
measurement method which are employed. Therefore, selection of the most effective
means for measurement is an important first step in the design and formulation of any
process control system.
Various types of measuring instruments are given in tabular form. These instruments are
used for measuring and thus controlling of temperature, pressure, flow, level, and
composition.
7.2 Process instrumentation:

No chemical plant can be operated unless it is adequately instrumented. The
monitoring of flows, pressures, temperature and levels is necessary in almost every
process in order that plant operator can see that all part of plant functioning as required.
Additionally, it may be necessary to record and display many other quantities which are
more specific to the particular process in question.
In many instances sensors forms an essential part of control system or strategy for a
process. This may be quite complex and rely upon the performance and characteristics
of a substantial number of different sensors.
7.2.1 Measurement of temperature:

Measurement and control of temperature are possibly the most common operations in
process control. The basic principles of temperature measurement are:
 Expansion of substance with temperature, which produces a change in length,

volume,
pressure in its simplest form this is the common mercury-in-glass and alcohol
thermometer.
 Change in electric resistance with temperature used in resistance thermometers
(RTD) and thermostats.
 Change in contact potential between dissimilar metals with temperature
thermocouples.
 Change in radiant energy with temperature, optical and radiation pyrometers.
7.2.2 Measurement of pressure:

For measurement of pressure, all pressure transducers are concerned with measurement
of static pressure e.g. pressure of the fluid at rest. The most common of pressure
transducer is DP cell which is used in conjunction with a sensing device such as an orifice
meter, any mechanism of outputted. Pneumatic, electrical or mechanical can be coupled
with it for signal transmission. Usually a proportional integral control is employed since
response of pressure to inlet feed is not very sluggish.
49
Chapter 7 Instrumentation And Control
7.2.3 Measurement of flow:

The measurement of flow is an essential part of almost every industrial process, and many
techniques have been evolved for it. Measurement of flow usually employs the same
principal ass the measurement of pressure i.e. sensing device coupled with a DP cell.
For special applications other flow meters may be employed e.g. for process no external
disturbance in the fluid stream is required for magnetic flow meters.
7.2.4 Measurement of concentration:

Knowledge of composition of a process stream is often of major importance. Such
information may be necessary to determine whether the particular product has the
required specification or whether composition of a particular stream is changing.
Frequently, variation in either will require some kind of control action to maintained
plant operational strangely of plant property of material is usually employed for the
measurement of concentration e. g. absorption of electromagnetic waves, refractive
index, pH, density or prudential absorption of components as in chromatography.
7.3 Control mechanism:

The Controllers resets the offer signal and produces an output signal proportional to
some function of the error. The output signal of the controller is the activating force
positioning of the final control element.
7.3.1 Process control:

Control in one form or in another is an essential part of any chemical engineering
operation. In all processes, there rises the necessity of keeping flows, pressures,
temperatures, compositions, etc. within certain limits for reasons of safety or
specifications. It is self-evident that automatic control is highly desirable, as manual
operation would necessitate continuous monitoring of the controlled variable by a human
operator and the efficiency of observation of the operator would inevitable fall off with
time. Furthermore, fluctuations in the controlled variable may be too rapid and frequent
for manual adjustment to suffice.
7.3.2 Components of a control system:

Following are the main components of a control system:
Process:
Any operation or series of operations that produce a desired final result in a process.
Measuring means:
As all parts of control system, measuring element is perhaps the most important. If
measurements are not made properly the remainder of the system cannot operate
satisfactorily, also the measured variable is chosen to represent the desired
conditions in the process.
122
Controller:
The controller is the mechanism that responds to any error detecting mechanism.
The output of the controller is predetermined function of the error.
Final Control Element:

The final control element receives the signal from the controller and by some
predetermined relationship change energy input to the process.
7.4 Types of control:

Many different types of controls are used in industry depending upon requirements
and specific needs. They range from very simple control to very complex system, in
general they may be categorized into two major categories as follows:
 Feedback control.
 Feed forward control.
7.4.1 Feedback control:

It is our general behavior that we leant from experience. A feedback control, as the name
implies, is also based on same principal. If any input to a system is changed it will cause
changes in the system termed as “disturbances”. These disturbances are noted down and
corrected action is taken on the input to undo the effect that change.
Advantages:
 It does not require the identification and measurement of disturbance.

 Effective for all disturbances.
 Insensitive to modeling errors
 It can provide zero steady state offset.
Disadvantages:
 It waits until the effect of disturbance has been felt by the system.
 Unsatisfactorily for slow processes or with significant dead time.
 It may create instability in the closed loop response.
7.4.2 Feed forward control:

In everyday experience we pride on being able to plan ahead. No deriver of automobile
waits for his vehicle to leave the road before manipulating the steering wheel. Rather, he
anticipated the effect of curbed road by instituting the corrective action before
controlled variable is affected. When this idea is formally applied to control system
the loop that is generated is called feed forward in recognition of the fact that the
manipulating variable is responsive to a disturbance rather than to controlled variable.
123
Advantages:
 It acts before the effect of disturbance has been felt by system.

 It is good for slow systems or systems with significant dead time.
 It does not introduce the instability in control system.
Disadvantages:
 It requires the identification of all possible disturbances and their direct

measurement.
 Cannot cope with unmeasured disturbances.
 Sensitive to process parameter variation.
 It cannot eliminate steady state offset.
 It requires good knowledge of process model.
In order to design a control system to operate not only automatically but efficiently, it is
frequently necessary to obtain both steady state and dynamic manner in which
this information is obtained is dependent largely upon the process being controlled
and control strategy to be implied.
124
7.5 Control scheme of distillation column:
Feed Backward Control:
CW in
CW out Reflux Drum

LT
LC
Reflux Distillate
Feed
LT
Steam
Reboiler
LC
Condensate
Bottom Product
Figure 7.1: Control scheme of distillation column
125
7.5.1 Reflux drum level control:
Reason of control:
Liquid in the liquid drum must be at specific level. Increasing liquid level affects the
column operating pressure and cause changing in the distillate properties and even
composition. The drum level in the top section is controlled by changing the distillate
flow rate using valve.
Action of control:
If the drum level is higher than the set value, decrease the distillate flow rate and if it is
lower than the set point then increase the distillate flow.
Table-7.1: Elements of control scheme of reflux drum of distillation column:
Process Heating
Controller Automatic (PID)
Controller variable Level
Measuring Elements Float
Regulating element Valve
Manipulated element Cooling water flow rate
Load variable Feed flow rate or feed temperature,

changing in the ratio of gas liquid,
valve characteristics
Set point 85%

7.5.2 Column base level control:
Reason of control:
The column base level on the bottom is controlled by changing the bottom flow rate
using valve.
Action of control:
If the reboiler liquid is higher than the set point decrease the bottom flow rate and if it
is lower than the set point then increase the bottom.
126
Table-7.2: Elements of control scheme for reboiler liquid level control:
Process Heating
Controller Automatic (PID)
Controller variable Column base level
Measuring Elements Float
Regulating element Valve
Manipulated element Steam flow rate
Load variable Feed flow rate or feed temperature,

changing in the ratio of gas liquid,
valve characteristics
127
Chapter 8 HAZOP Study
Chapter 8 HAZOP Study
8.1 Introduction:
A HAZOP survey is one of the most common and widely accepted methods of systematic
qualitative hazard analysis. It is used for both new or existing facilities and can be applied
to a whole plant, a production unit, or a piece of equipment, It uses as its database the
usual sort of plant and process information and relies on the judgment of engineering and
safety experts in the areas with which they are most familiar. The end result is therefore
reliable in terms of engineering and operational expectations, but it is not quantitative
and may not consider the consequences of complex sequences of human errors.
8.2 Objectives:
The objectives of a HAZOP study can be summarized as follows:
 To identify the potential risks.

 To identify and study features of the design that influence the probability of a
hazardous incident occurring.
 To familiarize the study team with the design information available.
 To ensure that a systematic study is made of the areas of significant hazard
potential.
8.3 Keywords used in HAZOP study:

Keywords are used to focus the attention of the team upon deviations and their possible
causes. These keywords are divided into two sub-sets:
 Primary keywords which focus attention upon a particular aspect of the design
intent or an associated process condition or parameter.
 Secondary keywords which, when combined with a primary keyword, suggest
possible deviations.
8.3.1 Primary keywords:

These reflect both the process design intent and operational aspects of the plant being
studied. Typical process oriented words might be as follows. The list below is purely
illustrative, as the words employed in a review will depend upon the plant being studied.
128
Table -8.1: Primary keywords
Pressure Temperature
Flow Level
Separate (settle, filter, Composition

centrifuge)
React Mix
Reduce (grind, crush, etc.) Absorb
Corrode Erode
8.3.2 Secondary keywords:

Secondary keywords when applied in conjunction with a Primary Keyword, these
suggest potential deviations or problems. They tend to be a standard set as listed below:
Table-8.2: HAZOP guide words and meanings.
Guide Words Meaning

No Negation of design intent
Less Quantitative decrease
More Quantitative increase
Part of Qualitative decrease
As well as Qualitative Increase
Reverse Logical opposite of the intent
Other than Complete substitution
8.4 How to conduct a HAZOP study:

HAZOP study is conducted in following steps:
Specify the purpose, objective and scope of the study:

The purpose may be the analysis of a new plant or a review of the risk of unexisting
unit. Given the purpose and the circumstances of the study, the objectives listed above
can more specific.
129
Select the HAZOP study team:

The team who will conduct the HAZOP study should consist of personnel with a good
understanding of the process and plant to be reviewed. The group should ideally contain
about six members, with perhaps an absolute upper limit being set at nine. In a study in
which both contractor and client are participating, it is desirable to maintain a balance
between the two in terms of team membership so that neither side feels out numbered.
Make a preparatory work:

It is most important that, before a study commences, work that can be conveniently
done before hand is carried out. This is not only essential in some respects for the
proper structuring of the study and the team, but will also greatly increase the
efficiency of the HAZOP and thus retain the interest and enthusiasm of the participants.
This preparatory work will be the responsibility of the Chairman, and the
requirements can be summarized as follows:
 Assemble the data.

 Understand the subject.
 Subdivide the plant and plan the sequence.
 Mark-up the drawings.
 Devise a list of appropriate keywords.
 Prepare node headings and an agenda.
 Prepare a timetable.
 Select the team.
130
Case Study:
HAZOP study of heat exchanger E-403:
Using relevant guide work, perform HAZOP study on heat exchanger E-403.
CW in
CW out
Figure 8.2: HAZOP study of heat exchanger E-403
131
Table-8.3: HAZOP for heat exchanger
Guide word Deviation Causes Consequences Action
None No cooling water Failed of inlet Process fluid Install temperature

flow cooling water temperature is indicator before and
valve to open. not revised after the process
accordingly. fluid line.
More More cooling water Failed of inlet Output of Install temperature

flow cooling water process fluid indicator before and
valve to close. temperature after the process
to low fluid line.
Less Less cooling water Pipe leakage Process fluid Install of flow meter
temperature is
too low
Reverse Reverse process Failed of process Product off Install check valve
fluid flow fluid inlet valve set
More of More Pressure on Failed of process Bursting of Install high pressure

the tube side fluid valve tube alarm
132
Chapter 9 Cost Estimation
9.1 Cost of purchased equipment:
Cost of reactor:
 Height of reactor = 8.53 m

 Capacity = 5.66 m3
 For carbon steel;
 Cost in 2002 = $ 98000
 Cost in 2015 = Cost in 2002 × Cost index in 2015/Cost index in 2002
 Cost in 2015 = 98000 × 570.6/395.6
 Cost in 2015 = $ 141351.87
Cost of furnace:
 Heat duty = 5128.47 KW

 Cost in 2002 = $ 540,000
 Cost in 2015 = Cost in 2002 ×Cost index in 2015/Cost index in 2002
 Cost in 2015 = 540,000 × 570.6/395.6
 Cost in 2015 = $ 778877.65
Cost of cooler:
 Shell and tube heat exchanger

 Fixed tube sheet

Area = 33.93 m2
 Bare cost in 2004 = $ 50000
 Purchase cost = Bare cost × Type reactor × Pressure factor
 Purchase cost = 50000 × 0.8 × 1
 Purchase cost in 2004 = $ 40000
 Cost in 2015 = 40000 × 570.6/ 444.2
 Cost in 2015 = $ 51382.26
Cost of trim cooler:

 For carbon steel.

Area = 88.67 m2
 Bare cost in 2004 = $ 72000
 Purchase cost = 72000 × 0.8 × 1
128
 Cost in 2015 = Cost in 2004 ×Cost index in 2015/Cost index in 2004

 Cost in 2015 = 57600 × 570.6/ 444.2
 Cost in 2015 = $ 73990.45
Cost of waste water cooler:


Area = 9.48 m2
 Bare cost in 2004 = $ 8000
 Purchase cost = 20000 × 0.8 × 1
 Cost in 2015 = 16000 × 570.6/ 444.2
 Cost in 2015 = $ 20552.90
Cost of vaporizer:


Area = 98.69 m2
 Bare cost in 2004 = $ 83000
 Purchase cost = 83000 × 0.8 × 1
 Cost in 2015 = 66400 × 570.6/ 444.2
 Cost in 2015 = $ 85294.552
Cost of separator:
 Height of vessel = 3.37m

 Diameter = 1.68m
 Carbon steel
 Bare cost = $ 33000
 Purchased cost = 33000 × 1 × 1
 Purchased cost in 2004 = $ 33000
 Cost in 2015 = 33000 × 570.6/444.2
 Cost in 2015 = $ 42390.36
134
Cost of scrubber:
 Column height = 7m
 Packing = 66mm saddles ceramics
 Material of column = Carbon steel
 Packing height = 5m
 Bare cost = $ 92000
 Cost of packing = Volume × 520
 Volume = Area × Height
 Volume = 3.52 × 5
 Volume = 17.6m3
 Cost of packing = 17.6 × 520
 Cost of packing = $ 16177.81
 Cost of column including packing = 92000 + 16177.81
 Cost of column including packing in 2004 = $ 108177.81
 Cost in 2015 = 108177.81 × 570.6/444.2
 Cost in 2015 = $ 138960.50
Cost of distillation column (Acetone):
 Height of column = 11m

 Material of vessel = Carbon steel
 Material of plate = Stainless steel
 Number of plates = 16
 Plate = Sieve
 Plate diameter = 1.27m
 Bare cost = $ 72000
 Cost of plates = 510 × 1.7 = 867 × 16 = $ 13872
 Cost of column including plate = 72000 + 138722
 Cost of column including plate = $ 85872
 Cost in 2015 = 85872 × 570.6/444.2
 Cost in 2015 = $ 110307.43
Cost of IPA column:
 Height of column = 12m

 Diameter =1.74m
 Plate = Sieve
 Plate diameter = 1.74m
 No. of plate = 20
 Material of column = Carbon steel
 Material of plate = Stainless steel
 Bare cost = $ 90000
135
 Purchased cost = 90000 × 1.0 × 1.0

 Purchased cost = $ 90000
 Cost of plate = 800 × 1.7
 Cost of plate = 1360 × 20
 Cost of plate = $ 27200
 Cost of column including plate = 90000 + 27200
 Cost of column including plate in 2004 = $ 117200
 Cost of column in 2015 = 117200 × 570.6/444.2
 Cost of column in 2015 = $ 150550
IPA feed pump:
 Power = 0.746 KW
 Cost = Cast steel
 Cost in 2002 = $ 5090
 Cost in 2015 = 5090 × 570.6/395.6
 Cast in 2015 = $ 7341.64
IPA column pump:
 Power = 0.208 KW
 Material = Cast steel
 Cost in 2002 = $ 4960
 Cost in 2015 = 4960 × 570.6/395.6
 Cost in 2015 = $ 7154.13
Feed drum:

Capacity = 20 m3
 Ce = Csn , where C = 2400, n =0.6, s = 20
 Ce = $ 14482 in 2004
 Cost in 2015 = 14482 × 570.6/444.2
 Cost in 2015 = $ 18602.94
Total purchased equipment cost:
Total purchased equipment cost = 141351.87 + 778877.65 + 51382.26 + 73990.45 +

20552.90 + 85294.552 + 42390.36 + 138960.50 + 110307.43 + 150550 + 7341.64 +
7154.13 + 93014.7 = $ 1701168.44
Total physical cost of equipment:
 Physical cost of equipment = PCE = 1701168.44 $

 Total physical plant cost = 1701168.44 × 3.40
 Total physical plant cost = $ 5783972.703
136
Fixed capital cost:
 Fixed capital cost = PPC × 1.45

 Fixed capital cost = $ 8386760.419
Working capital cost:
 Working capital cost = 20% of fixed capital cost

 Working capital cost = $ 1677352.084
Total investment cost:
 Total investment cost = Working capital cost + Fixed capital cost

 Total investment cost = $ 107064112.5
9.2 Annual operating cost:
Annual operating cost = Fixed operating cost + Variable operating cost + Plant overhead
cost.
9.2.1 Fixed operating cost:
Maintenance:
Maintenance = 10% of fixed capital cost

Maintenance = 838676.04 $/yr
Operating cost of labor:
Plant capacity = 273972.60 kg/day

Employee (h/day) = 39
Number of unit = 12
Employee hours = 12 × 39 × 360 = 168480 employee h/yr
Present Wages = 43 $/h
Operating labor cost = 168480 h/yr × 43 $/h = 7244640 $/yr
Laboratory cost:
Laboratory cost = 20 % of labor cost

= 1448928 $/yr
Supervision cost:
Supervision cost = 20 % labor cost

= 1448928 $/yr
137
Plant overhead:
Plant overhead = 50 % of labor cost

= 3622320 $/yr
Capital charges:
Capital charges = 10 % of fixed capital cost

= 838676.04 $/yr
Insurance:
Insurance = 1 % of fixed capital cost

= 83867.60 $/yr
Local taxes:
Local taxes = 2 % of fixed capital Cost

= 167735.20 $/yr
Royalties:
Royalties = 1 % of Fixed capital cost

= 83867.60 $/yr
Total fixed operating cost:
Total fixed operating cost = 15777638.49 $/ year
9.2.2 Variable operating cost:
Raw material:
Feed = 14169.6 Kg/h

Cost of IPA = 7.74 $/kg
Cost of raw material = 14169×7.74×8640
Cost of raw material = 947532038.4 $/year
Miscellaneous material:
Miscellaneous material = 10% of maintenance cost

= 83867.60 $/yr
Utilities:
Process water:
Process water = 1943.316 kg/h

138
= 15990.58 $/ year
Cooling Water:
Cooling Water = 10000 Kg/h

= 2057.14 $/year
Power:
Power = 720 MJ/day

= 4114.28 $/year
Steam:
Steam = 350 kg/h

= 33600 $/ year
Total variable operating cost:
Total variable operating cost = 947671668 $/yr
9.2.3 Plant overhead:

20 % of direct production cost
Direct cost:
Direct cost = Fixed operating cost + Variable operating cost

Direct cost = 15777638.49 + 947671668
Direct cost = 963449306.5 $/year
Plant overhead:
Plant overhead = 20% of direct production cost

Plant overhead = 0.2 × 963449306.5
Plant overhead = 192689861.3 $/year
Annual production cost:
Annual production cost = 1156139168 $/year
9.3 Net profit:
Production cost:
Production cost = Annual production cost/Annual production rate

Production cost = 11.56 $/kg
139
Total income:
Selling price of acetone (2015) = 15.18 $/kg

Total income = Selling price × Plant capacity × No. of days
Total income = 15.18 × 273972.60 × 360
Total income = 1497205464 $/yr
Gross income:
Gross income = Total income – Annual production cost

Gross income = 341066296 $/yr
Net profit:
Taxes = 50%
Net profit = Gross income × (1-Taxes)
Net profit = 170533148 $/yr
9.4 Rate of return:
% Rate of return = (Net profit - Total investment cost / Total investment

c cost) × 100
% Rate of return = (170533148-107064112.5/107064112.5)×100
%Rate of return = 26 %
9.5 Payback period:
Payback period = 1/0.26

Payback period = 3.84 years
140
Chapter 10 Acetone Environmental Impacts
The production methods of acetone and the chemical itself both directly impact the
environment. The plants that produce acetone create by-products which, in turn, affect
the environment; as well, the chemical can be released into the ecosystem at the end of
its lifecycle as a consumer product, thus also affecting the environment.
10.1 Acetone plants:

Aqueous streams containing significant amounts of organics arise from the various
waste operations and dumps at phenol-acetone plants. Insoluble material is recovered
from the wastewaters by decantation. Phenol and acetone (0.5-3 wt% each) are the most
abundant organic compounds remaining in the water after decantation and both are
listed as hazardous substances in the U.S. Federal Water Pollution Control Act.
A small amount of acetone is regenerated from waste solids and the rest must be
disposed of using one of three methods: underground injection, burial in a sanitary
landfill and incineration. All of these methods require the construction of treatment
sites, and thus can be considered an indirect impact of acetone production.
10.2 Acetone as a product:

After the acetone has been produced, it is used mainly as a solvent and intermediate in
chemical production. A major source of acetone atmospheric emissions occur from
consumer products including nail polish removers, some paint removers, etc. It is also
released in the form of exhaust from automobile, diesel and turbine engines. As well,
acetone is released into the natural aquatic environment in wastewater effluents from a
wide range of manufacturing processes and industries, such as paper, plastic,
pharmaceuticals, etc, and also energy-related industries, such as coal-gasification and
oil shale processing. Other human sources of acetone release into soil include disposal
of agricultural and food waste, household septic tank effluents, chemical waste disposal
sites and leaching from industrial and municipal landfills. Acetone released to the
atmosphere is degraded by a combination of photolysis and reaction with hydroxyl
radicals. The average half-life for acetone in the atmosphere is approximately 30 days.
Acetone in soil and water is readily biodegradable, and it is a volatile compound that
will evaporate from dry surfaces. Since it is miscible in water, it can leach readily in
most types of soil and biodegradation can occurs fast enough to reduce the effects of
leaching.
Atmospheric emissions occur from consumer products including nail polish removers,
particle board, carpet backing, some paint removers, and liquid/paste waxes or polishes.
Certain detergents/cleansers, adhesives, automobile carburetor and choke cleaners also
contain acetone.
141
Acetone is released into surface water in wastewater effluents from a wide range of
manufacturing processes and industries, such as paper, plastic, pharmaceuticals,
specialty cleaning and polishing products, paint and allied products, gum and wood
chemicals, cyclic intermediates, industrial organic chemicals, gypsum products,
paperboard products, and energy-related industries, such as coal-gasification and oil
shale processing.
Sources of acetone release into soil include disposal of agricultural and food waste,
animal waste, atmospheric wet deposition, household septic tank effluents and chemical
waste disposal sites.
As a result of all the above factors listed which combine to reduce the overall effect of
acetone on the environment, it is considered one of the least toxic industrial solvents
manufactured.
10.3 Sources of human and environmental exposure:

Acetone is commonly found in air, water, soil and biological samples, and these
background levels can be from both human-made and natural sources. Acetone occurs
naturally in trees, plants, forest fires and volcanic gases. When animals and humans
catabolize body fat, acetone is exhaled and metabolized. Human-made sources include
tobacco smoke, combustive engine exhaust and waste incineration. The exchange of
carbonyl compounds (including acetone) between air and natural waters is governed by
the appropriate partition coefficients, in addition to production and loss processes in
both media.
 Natural occurrence:
Acetone occurs as a metabolic component in blood, urine and human breath.
Because endogenous acetone formation is so closely linked with the utilization of
stored fats as a source of energy, background levels can fluctuate depending on an
individual's health, nutrition, and level of activity. The acetone level in the human
body at any instant is reflective of acetoacetate production and ketogenesis. It
occurs naturally as a biodegradation product of sewage, solid wastes and alcohols
and as an oxidation product of humic substances. Acetone has been detected in a
variety of plants and foods, including onions, grapes, cauliflower, tomatoes,
morning glories, wild mustard, milk, beans, peas, cheese and chicken breast.
Natural emissions from a variety of tree species contain acetone vapor and another
source is direct emission from the ocean.
142
 Anthropogenic sources:
There are many anthropogenic sources of acetone, with various levels a
concentrations that cover a broad range. Human sources of emissions to the aquatic
environment include wastewater discharges from many industries and leaching
from industrial and municipal landfills. A major source of emission to the air is
from evaporation of acetone solvent from coating products such as paints, cleaners,
varnishes and inks. Acetone is an emission product from the combustion of wood,
refuse and plastics), and is emitted in exhaust from automobile, diesel and turbine
engines.
Other important anthropogenic sources of acetone in the air are chemical manufacture,
tobacco smoke, wood burning and pulping), polyethylene burning, refuse combustion,
petroleum production, and certain landfill sites. Acetone is formed in the atmosphere
from the photochemical oxidation of propane and possibly from propylene oxide and
epichlorohydrin.
10.4 Environmental levels and human exposure:

Exposure to acetone results from both natural and anthropogenic sources. Acetone also
occurs as a metabolic component in blood, urine and human breath. It occurs as a
biodegradation product of sewage, solid wastes and alcohols, and as an oxidation
product of humic substances. Acetone has been detected in a variety of plants and foods
including onions, grapes, cauliflower, tomatoes, morning glory, wild mustard, milk,
beans, peas, cheese and chicken breast. Natural emissions from a variety of tree species
contain acetone vapor. Human sources of emissions to the aquatic environment include
waste-water discharges from many industries and leaching from industrial and
municipal landfills. A major source of human emission to air is evaporation of acetone
solvent from coating products such as paints, cleaners, varnishes and inks. Acetone is
an emission product from the combustion of wood, refuse and plastics. It is also emitted
in exhaust from automobile, diesel and turbine engines. Concentrations of acetone
monitored in the atmosphere range from 0.5 to 125.4 µg/m3 (0.2-52.9 ppb).
10.4.1 Effects on humans:

Acetone is relatively less toxic than many other industrial
solvents; however, at high concentrations, acetone vapor can cause CNS depression,
cardio respiratory failure and death. Acute exposures of humans to atmospheric
concentrations as high as approx. 4750 mg/m3(approx. 2000 ppm) have been reported
to produce either no gross toxic effects or minor transient effects, such as eye irritation.
More severe transient effects (including vomiting and fainting) were reported for
workers exposed to acetone vapor concentrations >25 500mg/m3 (>12 000 ppm) for
approx. 4 h. Acute exposures to acetone have also been reported to alter performance
in neurobehavioral tests in humans at 595 mg/m3 (250 ppm). Females exposed to
atmospheric concentrations of 2370 mg/m3 (1000 ppm) were reported to suffer
menstrual irregularities.
143
10.5 Evaluation of human health risks and effects on the

environment:
 Evaluation of human health effects:

Acetone is of a low order of acute toxicity. However a significant number of poisonings
have occurred in humans following accidental or intentional misuse.
Acetone can produce neurobehavioral and other changes, including headache,

dizziness, confusion and, at high vapor concentrations, CNS depression and narcosis.
Exposures to acetone vapor will cause irritation of eyes, nose and throat. Continuous
exposure to vapor can lead to adaptation to the odour.
Liquid acetone is an eye irritant and repeated exposure of skin will cause defatting,
drying and cracking. It is considered that acetone is neither a skin nor a respiratory tract
sensitizer.
Acetone is formed endogenously from fatty acid oxidation and is uniformly distributed
throughout the body among non-adipose tissues. It is rapidly cleared from the body by
metabolism and excretion, mainly through the lungs. Acetone induces the hepatic
mixed-function oxidase enzymes that bring about its own metabolism, and so the body
has a homeostatic mechanism that has evolved to maintain acetone levels in the body
at a "baseline" level. Induction of hepatic mixed-function oxidase enzymes can
potentiate (and in some instances antagonise) the effects of other chemicals. People at
most risk to potentiation include diabetics, alcoholics and those undergoing prolonged
fasting. In common with other chemicals, metabolism of acetone may be reduced in
neonates, the elderly and in hepatic diseases.
In one study on human volunteers, increases in leucocyte count were reported.
However, this has not been found in other studies, in an inhalation study, human female
volunteers reported menstrual irregularities (delayed menstruation).
No long-term experimental studies have been conducted. The relevance to humans
of the liver, reproductive and developmental effects observed in animal studies is not
known, and these end-points have not been sufficiently examined in humans.
The majority of genotoxicity assays on acetone were negative; therefore, acetone can
be considered to present no potential genotoxic hazard to humans.
It should be noted that the perception of "irritation" from acetone vapor by humans may
be at a concentration in air as low as 23.7 mg/m3 (100 ppm), which is at or near the
odour threshold.
 Evaluation of effects on the environment:

Acetone is of low toxicity to both aquatic and terrestrial organisms. It
is readily biodegraded in the environment and does not bioaccumulate or magnify
through the food chain. Even if acetone is spilt in water, it is unlikely to have a major
or lasting effect on the ecosystem. Owing to evaporation and dispersal, spills on land
are likewise not expected to have any major or lasting effects on terrestrial organisms.
144
10.6 Further research:

Productive effects need to be examined in animals and/or in humans. Clarification of
the dose-response relationship is required with special reference to male reproductive
effects at doses where abnormal sperm are found and to determine if there are
complications during menstruation, pregnancy and childbirth, as existing data are not
conclusive.
 Longer-term studies are required to determine whether the kidney effects are
attributable to acetone or are exacerbating an existing condition. If they are
acetone-related, the mechanism should be determined.
 Clarification of the potentiation and antagonism mechanisms in humans is

needed.
 Clarification of the mechanisms of potential immune toxic effects is required.
145
Bibliography
 Gael D. Ulrich P. T. Vasudevan “A Guide to Chemical Engineering Process Design

and Economics” 2nd ed, Process publishing, 1993
 Coulson and Richardson's Chemical Engineering Volume 6 - Chemical Engineering
Design (2nd Edition)
 Elements of Chemical Reaction Engineering, H. Scott Fogler, 4th Edition
 Chemical engineering design by Coulson and Richardson’s volume 6, 4th edition
 Plant design and economics for chemical engineers by Timmerhaus 5th edition
 . Rules of Thumb for Chemical Engineers by Carl R. Branan
 Applied Process Design for Chemical and Petrochemical Plants, Volume 2, By
Ernest E. Ludwig
 Process Heat Transfer by D.Q Kern
 American Institute of Chemical Engineers, Design Institute for Physical Property
Data, (DIPPR File), University Park, Pa., 1989. For other listings of properties, see
Beilsteins Handbuch der Organischen Chemie, Springer-Verlag, Berlin, Vol. 1 and
supplement; and J. A. Riddick, W. B. Bunger, and T. K. Sakano, "Organic Solvents,
Physical Properties, and Methods of Purification," in Techniques of Organic
Chemistry, Vol. 2, John Wiley & Sons, Inc., New York, 1986.
 R. C. Weast and J. G. Grasselli, eds., Handbook of Data on Organic Compounds,
2nd ed., Vol. 6, CRC Press, Inc., Boca Raton, Fla., Compound no. 21433, p. 3731.
 Fire Hazard Properties of Flammable Liquids, Gases, and Volatile Solids, Report
325M-1984, National Fire Codes, Vol. 8, National Fire Protection Association,
Batterymarch Park, Quincy, Mass.
 R. A. Smiley, "Nitriles" in M. Grayson, ed., Kirk-Othmer Encyclopedia of
Chemical Technology, 3rd ed., Vol. 15, Wiley-Interscience, New York, 1981, p.
901.
 U.S. Pat. 2,827,494 (Mar. 18, 1958), J. H. Brown, Jr., and N. B. Lorette (to The
Dow Chemical Company); Chem. Abstr. 52, 14655i (1958). U.S. Pat. 2,827,495
(March 18, 1958), G. C. Bond and L. A. Klar (to The Dow Chemical Company);
Chem. Abstr. 52, 14656a (1958). N. B. Lorette, W. L. Howard, and J. H. Brown,
Jr., J. Org. Chem. 24, 1731 (1959); Chem. Abstr. 55, 12275g (1961).
 Distillation Control: An Engineering Perspective By Cecil L. Smith
 Pradeep B. Deshpande, “Distillation Dynamics and Control” Creative Publishers
Inc. New York.
 Henry Z. Kister, “Distillation Design”, Mcgraw Hill Inc.
 Carl Branan, “Rules of Thumb for Chemical Engineers” ,Gulf Professional
Publishing
 Unit operation of chemical engineering by Warren Lee McCabe, Julian Cleveland
Smith, Peter Harriott 5th edition.
146
Important Website Links
 www.che.cemr.wvu.edu/publications/projects/acetone/acetone-a.PDF
 http://www.owlnet.rice.edu/~ceng403/gr1998/acetone.html
 http://www.scribd.com/doc/30134032/Isopropyl-Alcohol
 www.annualreviews.org/doi/pdf/.../annurev.matsci.35.100303.12073
 www.jbrwww.che.wisc.edu/home/jbraw/chemreacfun/.../slides-masswrxn.p
147

Production of Acetone From Isopropyl Alcohol

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Production of Acetone From Isopropyl Alcohol

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Production of Acetone from Isopropyl Alcohol

Mr. Waqas Ahmad

Muhammad Umar Mushtaq UW-11-Ch.E-BSc-010

Department of Chemical Engineering

This report is submitted to the department of chemical engineering, Wah Engineering

Department of Chemical Engineering

A special thanks goes to my team members in this project.

The main purpose of this project was production of acetone by dehydrogenation of

Table-1: Physical and chemical properties. ..................................................................... 3

MW = Molecular weight [kg/kmol]

1.1 History of acetone:

Production of acetone by dehydrogenation of isopropyl alcohol began in the early 1920s

1.2 Physical and chemical properties:

Table-1: Physical and chemical properties.

Property Water Acetone Isopropyl Alcohol Hydrogen

Freezing point (°C) 0 -95 -88.5 - 259.2

Boling point (°C) 100 56.2 82.2 -252.8

Critical temperature 647.3 508.1 508.3 33.2

Critical pressure 220.5 47 47.6 13

Critical volume 0.056 0.209 0.220 0.065

Liquid density 998 790 786 71

Heat of vaporization 40683 29140 39858 904

Standard enthalpy of -242.0 20.43 -272.60 0

Standard Gibbs -228.77 62.76 -173.5 0

1.3 Production and shipment of acetone:

The Department of Transportation (DOT) hazard classification for acetone is flammable

1.4 World acetone production:

Production Canada Mexico Western Europe Japan

Capacity (year end), 10^3 t 44 94 988 324

Percentage of capacity from

Other (propylene and cymene) - - 5 30

Production, 10^3 t 41 47 867 260

Consumption,10^3 t 23 47 877 247

Solvent applications 15 28 337 -

Production ratio 0.93 0.5 0.88 0.8

ACH = Acetone Cyanohydrin; MMA = Methyl Methacrylate.

1.4.1 World capacity, production, and consumption:

Countries Capacity Production (1987) Imports (1987) Consumption (1987)

United States 1345 950 118 908

Western Europe 1062 867 - 877

Japan 324 260 31 247

Other 1046 833 439 777

Total 3960 2998 607 2879

1.5 Uses of acetone:

Direct solvent use:

Chapter 2 Literature Review

2.1 Methods for preparation of acetone:

2.1.1 Cumene process for phenol and acetone:

2.1.2 By the direct oxidation of propylene using air:

2CH3 - CH = CH2 + O2 → 2CH3 - CO- CH3

2.1.3 By the dehydrogenation of isopropyl alcohol:

2.2 Process selection:

Cumene process Propylene oxidation process Isopropyl alcohol

Purity of acetone is low. Purity is high. Purity is high.

--- Propylene used should be Aqueous solution of the

Conversion to acetone is low. Conversion to acetone is low. Conversion to acetone is high.

Worldwide production method. Not used worldwide. Worldwide production method.

Unconverted benzene present Not a dangerous compound Not a dangerous compound

2.3 Acetone production process:

2CH3 -CHOH-CH3 (v) → (CH3 )2 CH-O-CH(CH3 )2 (aq) + H2 O(l)

At the higher temperature (>350 °C), dehydration reaction is expected to be significant

CH3 -CHOH-CH3 (v) → CH2 =CH-CH3 (v) + H2 O(v)

2.4 Selection of catalyst: