Table of Contents

Chapter # 1: Introduction ........................................................................................................... 1

1.1 Introduction ...................................................................................................................... 2
1.2 Project Background .......................................................................................................... 2
1.3 Project objective............................................................................................................... 2
1.4 Application of Oxirane .................................................................................................... 3
1.5 Physical and thermodynamic Properties .......................................................................... 5
1.6 Handling of oxirane ......................................................................................................... 6
1.7 References: ....................................................................................................................... 6
Chapter # 2: Market Analysis and capacity selection ................................................................ 7
2.1 Market Analysis and capacity selection ........................................................................... 8
2.2 Worlds wide production ................................................................................................... 8
2.3 World Wide Consumption ............................................................................................... 8
2.4 Capacity Selection………………………………………………………………………9
2.5 Site-Location .................................................................................................................. 10
2.6 References……………………………………………………………………………..10
Chapter # 3: Literature review and process selection .............................................................. 11
3.1 Methods of production ................................................................................................... 12
3.2 Chlorohydrin process ..................................................................................................... 13
3.2.1 Disadvantages ......................................................................................................... 13
3.3 Direct oxidation process ................................................................................................ 13
3.3.1 General process flow diagrams for Oxidation Process ........................................... 15
3.4 Air Vs Oxygen Process Differences and Economics ..................................................... 15
3.5 Process comparison ........................................................................................................ 16
3.6 Process description......................................................................................................... 16
3.6.1 Static Mixer............................................................................................................. 16
3.6.2 Reactor Feed Heater ................................................................................................ 17
3.6.3 Reactor .................................................................................................................... 17
3.6.4 Cooler...................................................................................................................... 17
3.6.5 Absorber column ..................................................................................................... 17
3.6.6 Distillation column.................................................................................................. 18
3.6.7 Process flow Diagram ............................................................................................. 18
3.7 References: ..................................................................................................................... 18
Chapter # 4: Material Balance ................................................................................................. 19

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Production of 100 MTPD of Oxirane.
 4.1 Mixer .............................................................................................................................. 20
4.1.1 Assumption: ............................................................................................................ 20
4.1.2 General Mass Balance............................................................................................. 20
4.2 Reactor: .......................................................................................................................... 21
4.2.1Assumption and Equations ...................................................................................... 21
4.2.2 General Mass balance Equation for Chemical Reaction......................................... 21
4.2.3 Component Mass Balance....................................................................................... 21
4.3 Absorption tower ........................................................................................................... 22
4.3.1 Assumption: ............................................................................................................ 22
4.3.2 General overall Mass Balance: ............................................................................... 22
4.3.3 Component Mass balance: ...................................................................................... 23
4.4 Distillation column......................................................................................................... 24
4.4.1 Assumption and Equations ..................................................................................... 24
4.4.2 General Mass Balance............................................................................................. 24
4.4.3 Component Mass Balance....................................................................................... 24
4.4.5 Overall Material Balance in Distillation Column ................................................... 25
References: ............................................................................................................................... 26
Chapter # 5: Energy Balance ................................................................................................... 27
5.1 Introduction .................................................................................................................... 27
5.1.1 First law of thermodynamics .................................................................................. 27
5.1.2 Energy ..................................................................................................................... 28
5.1.3 Kinetic Energy ........................................................................................................ 28
5.1.4 Potential Energy ...................................................................................................... 28
5.1.5 Internal Energy........................................................................................................ 28
5.2 Mixer:............................................................................................................................. 29
5.3 Heat Exchanger: ............................................................................................................. 31
5.4 Reactor: .......................................................................................................................... 32
5.5 Heat Exchanger (102) .................................................................................................... 33
5.6 Absorber ......................................................................................................................... 34
5.7 Distillation...................................................................................................................... 37
5.7.1 Condenser Duty: ......................................................................................................... 37
5.7.2 Re-Boiler duty:........................................................................................................ 39
5.8 Refernces: ...................................................................................................................... 39
Chapter # 6: Equipment Design ............................................................................................... 41
6.1 Reactor Design ............................................................................................................... 41
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Production of 100 MTPD of Oxirane.
 6.1.1 Reactor Selection Criteria ....................................................................................... 41
6.1.2 Design Calculations ................................................................................................ 48
6.1.3 Mechanical Design of Reactor ................................................................................ 55
6.1.4 Specification Sheet of Reactor (R-101) .................................................................. 57
6.2 Heat exchanger design ................................................................................................... 58
6.2.1 Selection Criteria .................................................................................................... 58
6.2.2 Shell and tube heat exchanger................................................................................. 59
6.2.3 Design Steps of Heat Exchanger............................................................................. 59
6.2.4 Calculation of heat exchanger ................................................................................. 59
Heat duty .......................................................................................................................... 59
6.2.5 Pressure drop calculation ........................................................................................ 62
Shell side .......................................................................................................................... 62
6.2.6 Specification sheet ................................................................................................. 62
6.3 Absorber design ............................................................................................................. 63
Absorption............................................................................................................................ 63
6.3.1 Types of Absorption ............................................................................................... 64
6.3.2 Selection of Absorbent ............................................................................................ 64
6.3.3 Properties of An Ideal Absorber ............................................................................. 64
6.3.4 Types of Column..................................................................................................... 64
6.3.5 Selection of column ................................................................................................ 65
6.3.6 Selection of Column Internals ................................................................................ 66
6.3.7 Principal requirement of a tower packing ............................................................... 66
6.3.8 Selection of packing ................................................................................................ 67
6.3.9 Design steps ............................................................................................................ 67
Calculation: ...................................................................................................................... 68
6.3.10 Absorber Specification Sheet ................................................................................ 93
6.4 Distillation...................................................................................................................... 94
6.4 .1What is distillation? ................................................................................................ 94
6.4.2 Why choose distillation? ......................................................................................... 94
6.4.3 Advantages of Distillation ...................................................................................... 94
6.4.4 Material balance ...................................................................................................... 95
6.4.5 Design Steps............................................................................................................ 95
6.4.7 Comparison of column internals ............................................................................. 96
6.4.8 Feed Condition ........................................................................................................ 96
6.4.9 Distillation Top Temperature Calculations:............................................................ 97
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Production of 100 MTPD of Oxirane.
 6.4.10 Distillation Bottom Temperature Calculations ..................................................... 97
6.4.11 Relative Volatilities: ............................................................................................. 97
6.4.12 Minimum Number of Plates: ................................................................................ 98
6.4.13 Minimum Reflux:.................................................................................................. 98
6.4.14 Actual Reflux ........................................................................................................ 98
6.4.15 Actual number of stages........................................................................................ 98
6.4.16 Feed Position ......................................................................................................... 99
6.4.17 Vapour & Liquid flow Rate in Distillation Column ............................................. 99
6.4.18 Diameter of distillation column ............................................................................ 99
6.4.19 Standard Diameter .............................................................................................. 103
6.4.20 Weir length: ........................................................................................................ 103
6.4.21 Weeping: ............................................................................................................. 104
6.4.22 Actual minimum vapors velocity ........................................................................ 105
6.4.23 Pressure Drop: ..................................................................................................... 106
[Link] Plate pressure drop ........................................................................................... 107
6.4.24 Down comer liquid backup ................................................................................. 107
6.4.25 Residence Time:.................................................................................................. 107
6.4.26 Entrainment: ........................................................................................................ 108
6.4.27 Perforated Area: .................................................................................................. 108
6.4.28 Height of Distillation column: ............................................................................ 110
6.4.29 L/D Ratio: ........................................................................................................... 110
6.4.30 Specification Sheet: ............................................................................................ 110
6.5 References: ................................................................................................................... 111
Chapter # 7: Cost Estimation ................................................................................................. 113
Cost Estimation .................................................................................................................. 113
7.1 Introduction .................................................................... Error! Bookmark not defined.
7.2 Capital Investment ......................................................... Error! Bookmark not defined.
7.3 Working Capital Investment ........................................................................................ 114
7.4 Fixed-Capital Investment ............................................................................................. 115
7.5 Methods for Estimating Capital Investment ................................................................ 115
7.6 Total Equipment Cost (TEC) ......................................... Error! Bookmark not defined.
7.6.1 Cost Estimation of Reactor ................................................................................... 111
7.6.2 Cost Estimation of Absorber ................................................................................. 111
7.6.3 Cost Estimation of Heat Exchanger ...................................................................... 112
7.6.5 Cost Estimation of Compressor ............................................................................ 113
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Production of 100 MTPD of Oxirane.
 7.6.6 Distillation Tower T-101 ...................................................................................... 113
7.6.7Mixing Vessel V-101 ............................................................................................. 114
7.7 Direct cost .................................................................................................................... 115
7.8 Indirect cost .................................................................................................................. 115
7.9 Working Capital Investment ........................................................................................ 116
7.9.1Total product cost .................................................................................................. 116
7.9.3 Raw material cost .................................................................................................. 116
7.10 Rate of return ............................................................................................................. 117
7.11 Payback period ........................................................................................................... 117
Chapter # 8: Piping & instrumentation diagram .................................................................... 118
8.1 P & ID: ......................................................................................................................... 119
8.2 Instrument: ................................................................................................................... 119
8.3 Advantages of use of Instruments: ............................................................................... 119
8.4 Instrumentation around Distillation Column: .............................................................. 119
8.5 Composition Control: .................................................................................................. 119
8.6 Control of Process Parameters: .................................................................................... 120
8.7 Control Loop around Distillation Column: .................................................................. 120
8.8 Description: .................................................................................................................. 121
8.9 Temperature Control: ................................................................................................... 122
8.10 Level Control: ............................................................................................................ 122
8.11References: .................................................................................................................. 123
Chapter # 9: HAZOP and EIA Study..................................................................................... 124
9.1 HAZOP Study .............................................................................................................. 125
9.2 The HAZOP Study Process ..................................................................................... 126
9.4 Objective of Carrying out a HAZOP Study ............................................................. 126
9.5 HAZOP Guide Words and Meaning ...................................................................... 127
HAZOP Guide Words and Meaning .............................................................................. 127
9.6 HAZOP Study Flowchart ......................................................................................... 128
9.7 HAZOP Study of Reactor ........................................................................................ 129
9.8Environmental Impact assessment (EIA)...................................................................... 130
9.8.1 Introduction ............................................................................................................... 130
9.8.2 History....................................................................................................................... 130
9.8.3Scope and objectives of EIA ...................................................................................... 131
9.8.4Identification of impact .............................................................................................. 131
9.8.5Hazard Summary ....................................................................................................... 132
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Production of 100 MTPD of Oxirane.
 9.8.6 Sources and Potential Exposure ................................................................................ 132
9.8.7 Assessing Personal Exposure.................................................................................... 132
9.8.8Health Hazard Information ........................................................................................ 132
Chapter # 10: Process Modeling and Simulation ................................................................... 135
10.1 Process Simulation ..................................................................................................... 136
10.2 Simulation software ................................................................................................... 136
10.3 Definition of the problem........................................................................................... 136
10.4 Comparison between Equation of state and Activity coefficient model .................... 136
10.5 Reactor Simulation..................................................................................................... 137
10.5.1 Add components ................................................................................................. 137
10.5.2 Apply Fluid Package ........................................................................................... 138
10.5.3 Add reaction set .................................................................................................. 138
10.5.4 Simulation environment ...................................................................................... 139
10.5.5 Work Sheet.......................................................................................................... 139

List of Figures
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Production of 100 MTPD of Oxirane.
Figure 1. 1 Structural formula of Oxirane. ................................................................................ 2
Figure 1. 2 Industrial usage of Oxirane ..................................................................................... 3
Figure 2. 1 Global Production of Oxirane. ................................................................................ 8
Figure 2. 2 Consumers of Oxirane ............................................................................................. 9
Figure 2. 3 increment demand of Oxirane per year ................................................................... 9
Figure 3. 1 General process Flow diagram .............................................................................. 15
Figure 3. 2 Process flow diagram ............................................................................................ 18
Figure 4. 1 Schematic diagram of Mixer ................................................................................. 20
Figure 4. 2 Schematic diagram of Reactor............................................................................... 22
Figure 4. 3 Schematic diagram of Absorber ............................................................................ 23
Figure 4. 4 Schematic diagram of Distillation Column ........................................................... 25
Figure 4. 5 Overall Material balance on Distillation Column ................................................. 25
Figure 5. 1 Schematic diagram of Mixer ................................................................................. 29
Figure 5. 2 Schematic diagram of Heat Exchanger ................................................................. 31
Figure 5. 3 Schematic diagram of Reactor............................................................................... 32
Figure 5. 4 Energy Balance steps on Reactor .......................................................................... 33
Figure 5. 5 Schematic diagram of Heat Exchanger ................................................................. 34
Figure 5. 6 Schematic diagram of Absorber. ........................................................................... 35
Figure 6. 1 Different scheme for filling of catalyst ................................................................. 45
Figure 6. 2 Function Of catalyst .............................................................................................. 46
Figure 6. 3 Configuration of Tubular reactor........................................................................... 47
Figure 6. 4 Relationship between conversion and rate of reaction. ......................................... 50
Figure 6. 4 Schematic Diagram of Absorber ........................................................................... 63
Figure 6. 5 Column size range ................................................................................................. 66
Figure 6. 6 Flv Factor. ............................................................................................................... 69
Figure 6. 7 NOG value ............................................................................................................... 70
Fig 6. 8 Schematic diagram of distillation column. ................................................................. 95
Fig 6. 9 Flooding velocity for sieve plates. ............................................................................ 101
Fig 6. 10 Weep-Point Correlation. ......................................................................................... 105
Fig 6. 11 Discharge coefficient for sieve plate. ..................................................................... 106
Fig 6. 12 Entrainment correlation for sieve plate .................................................................. 108
Fig 6. 13 Relation between angle subtended by chord. ......................................................... 109
Fig 6. 14 Relation between hole area and pitch. ...................... Error! Bookmark not defined.

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Production of 100 MTPD of Oxirane.
Figure 8. 1 Piping and Instrumentation diagram of Distillation Column. ............................. 120
Figure 9. 1 Assessment of HAZOP........................................................................................ 128
Figure 10. 1 Components Addition in software ..................................................................... 137
Figure 10. 2 Applying Fluid package .................................................................................... 138
Figure 10. 4 Simulation Environment .................................................................................... 139
Figure 10. 5 Results Worksheet ............................................................................................. 139

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Production of 100 MTPD of Oxirane.
 List of Tables
Table 1. 1Industrial Derived compounds from Oxirane ............................................................ 4
Table 1. 2Physical and thermodynamic character of Oxirane ................................................... 5
Table 3. 1 Capacity of united state thousand ton per year ....................................................... 12
Table 3. 2 Comparison between different processes ............................................................... 16
Table 4. 1 Mixer Material Balance .......................................................................................... 21
Table 4. 2 Reactor Material Balance........................................................................................ 22
Table 4. 3 Absorber Material Balance. .................................................................................... 23
Table 4. 4 Distillation Column Material Balance. ................................................................... 25
Table 4. 5 Distillation Column Overall Balance. ..................................................................... 25
Table 5. 1 Fresh ethylene inlet condition ................................................................................. 29
Table 5. 2 Fresh oxygen inlet condition................................................................................... 30
Table 5. 3 recycle inlet specifications. ..................................................................................... 30
Table 5. 4 Stream outlet from mixer specifications ................................................................. 30
Table 5. 5 Heat Exchanger inlet stream specifications ............................................................ 31
Table 5. 6 Heat Exchanger inlet stream specifications ............................................................ 34
Table 5. 7 Absorber inlet stream specifications. ...................................................................... 35
Table 5. 8 Water inlet in Absorber specification ..................................................................... 35
Table 5. 9 Top stream from Absorber components composition............................................. 36
Table 5. 10 Bottom product in the absorber composition ........................................................ 36
Table 5. 11 Components entering Condenser. ......................................................................... 37
Table 5. 12 Sensible heat of components in Condenser. ......................................................... 38
Table 5. 13 Latent heat of components in Condenser. ............................................................. 38
Table 5. 14 Components entering in Re-Boiler. ...................................................................... 39
Table 6. 1 Comparison between Continuous and Batch process. ............................................ 42
Table 6. 2 overview of CSTR and PFR .................................................................................. 43
Table 6. 3 Characteristics of Fixed and Fluidized bed............................................................. 44
Tabe 6. 4 characteristics of Catalyst (Ag/Al2O3) ..................................................................... 46
Table 6. 5 Selection of head on the basis of operating pressure .............................................. 56
Table 6. 6 Specification sheet .................................................................................................. 57
Table 6. 7 Selection criteria for Heat Exchanger ..................................................................... 58
Table 6. 8 Selection of the type of Heat Exchanger ................................................................ 59
Table 6. 9 Specification Sheet for Heat Exchanger ................................................................. 62

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Production of 100 MTPD of Oxirane.
Table 6. 10 Type selection of Absorber ................................................................................... 64
Table 6. 11 Difference between Plate and Packed column ...... Error! Bookmark not defined.
Table 6. 12 Mass flow rates for feed top and bottom streams. ................................................ 95
Table 6. 13 Comparison between Sieve, Valve and Bubble-Cap trays. .................................. 96
Table 6. 14 Feed Bubble and due temperature calculations .................................................... 96
Table 6. 15 Distillation top section temperature calculation ................................................... 97
Table 6. 16 Distillation bottom section temperature calculation ............................................. 97
Table 6. 17 Top section composition and Vapour mass flow rates. ...................................... 100
Table 6. 18 Top section composition and Liquid mass flow rates......................................... 100
Table 6. 19 Bottom section composition and Vapour mass flow rates .................................. 101
Table 6. 20 Bottom section composition and Liquid mass flow rates ................................... 102
Table 6. 21 Specification Sheet of Absorber ........................................................................... 93
Table 6. 22 Specification Sheet of Distillation Column ........................................................ 110
Table 7. 1 Equipment Cost..................................................................................................... 114
Table 8. 1 Temperature Controller Details ............................................................................ 122
Table 8. 2 Level Controller Details........................................................................................ 122
Table 8. 3 Composition Controller Details ........................................................................... 122
Table 9. 1 HAZOP guide words ............................................................................................ 127
Table 9. 2 HAZOP Analysis of reactor. ................................................................................. 129
Table 10. 1 Suitable Model Selection .................................................................................... 136

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Production of 100 MTPD of Oxirane.
 Chapter # 1
Introduction

1|Page
Production of 100 MTPD of Oxirane.
1.1 Introduction

Oxirane, is the simplest cyclic ether and is very reactive. Its highly strained ring with a COC angle of
only 61.62o can be opened easily. Thus, it is one of the most versatile chemical intermediates and has a
widespread use in the pharmaceutical and chemical industry having structural formula,

Figure 1. 1 Structural formula of Oxirane.

Ethylene oxide (EO) was first discovered by Wurtz in 1859 by liquid phase oxidation using potassium
hydroxide to eliminate hydrochloric acid from ethylene chlorohydrin. Oxirane is a flammable,
colorless gas, highly reactive chemical and can react specially in the presence of a catalyst with
compounds such as water, alcohols, ammonia, amines, and organic [Link] is the simplest of
the cyclic ethers, is a colorless gas at room temperature and normal pressure.

1.2 Project Background

The final year design project team has been assigned to design a Oxirane production plant using
Ep-Oxidation of Ethylene having production capacity of 100 metric tons per day. The team
needs to incorporate safety aspects, site selection, conceptual design, Material Balance, Energy
balance and preliminary economic evaluation in the early design of the plant.

1.3 Project objective

The objective of this project is to develop a Oxirane (Ethylene Oxide) production plant.

The objectives of this design project include the following:

 To apply appropriate design codes in a detailed design work.

 To present a piping and instrumentation diagram (P&ID) and control strategy packages.
 To integrate chemical engineering skills and knowledge in a detailed design of a
chemical plant.

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Production of 100 MTPD of Oxirane.
  To perform detailed economic evaluation of the proposed chemical plant.
 To generate cost effective process options while maintaining operability, safety and
environment friendliness of the design.
 Making the necessary decisions, judgments and assumptions in design problems.
 Performing the instrumentation and control study.
 Performing the process design of the major process units.
 Performing the mechanical design of the major process units.
 Performing the economic evaluation including capital cost estimation and
manufacturing cost estimation.
 Considering the environmental and safety issues related to the plant. Material safety
data sheet (MSDS) for all the chemicals involved must be part of the safety and
environmental discussion.
 Preparing the group and individual reports as per standard format and conducting the
oral presentations.

1.4 Application of Oxirane

Oxirane is the intermediate compound and a give a base to the chemical industry the main
application of Oxirane is in the production of polymeric materials and a solvent for example
glycols and ethoxylates given below,

Ethoxylates, 13%
Di-tri ethylene glycol
7%

Ethanol amine, 6%

Ethylene glycol
ether, 4%

polyols, 3%
Ethylene glycol
Polythene glycol, 65%
2%

Ethylene glycol Polythene glycol

Figure 1. 2 Industrial usage of Oxirane

3|Page
Production of 100 MTPD of Oxirane.
As ethylene oxide is an intermediate compound so its direct Applications are less but the
derived compounds from ethylene oxides are used in different areas of chemical , polymer and
as well as in domestic purpose. Some important usage of derived chemicals from Ethylene
oxides are given in the following table.

Table 1. 1Industrial Derived compounds from Oxirane

Abbreviation Product Name Uses

MEG Mono ethylene glycols  Antifreeze

 Foil and bottles
 Polyester fibers
 Terephthalate

DEG Di Ethylene Glycols  Softeners(glue, paper)

 Plasticizers
 Gas dryer
 Deicing of air craft and runway

TEG Tri ethylene glycols  Moisture retaining agents

 Solvents

PEG Poly ethylene glycols  Cosmetics

 Pharmaceutical
 Lubricants
 Paints and drugs
 Plasticizers

EA Ethanol amines  Textile finishing

 Soaps
 Detergents
 Gas purification

EGE Ethylene glycol ether  Brake fluids

 Refinery

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Production of 100 MTPD of Oxirane.
  Purification of Natural gas

EC Ethylene carbonate  As a solvents

1.5 Physical and thermodynamic Properties

Table 1. 2Physical and thermodynamic character of Oxirane

Properties Oxirane ( C2H4O )

Melting point at 101.3 kPa -112.5 ℃

Boiling point at 101.3 kPa 10.8 ℃

Critical temperature 195.8 ℃

Critical pressure 7.2 MPa

Critical density 314 kg/m3

Heat of combustion at STP 29 kJ/kg

Ignition temperature in air 429 ℃

Decomposition Temperature of vapor at 571 ℃

101.325kpa

Heat of fusion 117.86 kJ/kg

Heat of solution in water at 25 ℃ 142.7 kJ/kg

Entropy of vapors at 25 ℃ and 101.3 kPa 5.495 [Link]-1.K-1

Oxirane At 101.3 kPa and 25 ℃ Gas

Oxirane At 101.3 kPa and 8 ℃ Liquid

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Production of 100 MTPD of Oxirane.
1.6 Handling of oxirane

Due to the reactivity of ethylene oxide even in absence of other chemicals, the handling of pure
ethylene oxide and the use of it are potentially dangerous, despite its toxic effects. There had
been numerous incidents in the past with great damage caused by the explosion or
decomposition of ethylene oxide or its vapor. Sometimes small leaks led to severe explosions.
In 1987, a catastrophic explosion of an ethylene oxide purification column occurred due to a
leak of a manhole flange, ethylene oxide got in contact with mineral wool used as insulating
material. The following exothermic isomerization, disproportionation and decomposition of
ethylene oxide and reactions with moisture caused an external hot spot, which heated the
column up to temperatures above the auto ignition temperature of ethylene oxide, resulting in
an ignition / explosion of the complete column. The column itself was completely destroyed
and severe structural damage to the surrounding installations within a radius of several hundred
meters had to be noted.

In another incident, small amounts of ethylene oxide exhibited an extraordinarily high

destructive potential. Due to a leakage of two blocked discharge valves, about 300 g of ethylene
oxide got into the head of a high speed pump, which was normally idle and used as reserve
pump. A fault within the electrical installation caused the blocked pump to start and due to
internal friction, the pump heated up to ethylene oxide decomposition temperature within a few
minutes. The resulting explosion caused twelve 3/4" stainless steel bolts to fail and the motor
of the pump, having a weight of approx 1/2 ton was catapulted over a distance of 20 meters
Therefore, ethylene oxide is a dangerous and poisonous chemical and its production,
purification and transport should be handled with extreme care in order to avoid ignition.

1.7 References:
 Partial Oxidation of Ethene to Ethylene Oxide in Microchannel Reactors (11 December 2009)
Technische Universit¨ at Chemnitz, Fakult¨ at fur Naturwissenschaften.
 MSDS of ethylene oxide and ethylene oxide product stewardship manual -3rd edition American
chemistry council
 Wiley-VCH.(24 August 2011).Ullmans encyclopedia of industrial chemistry. Europe: Ullman
 .[Link] oxide.(Ethylene oxide production Global CCS
institute 2016)
 Oxidation of ethylene to ethylene oxide by SHEN-WU WAN Yale University, New haven,
Conn
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Production of 100 MTPD of Oxirane.
 Chapter # 2
Market Analysis and capacity selection

7|Page
Production of 100 MTPD of Oxirane.
2.1 Market Analysis and capacity selection
It is the age of plastics and whole world is moving rapidly toward plastic economy. There are
plastics and polymeric products everywhere. Almost everything of our daily use contains
plastics or any other polymeric product.

2.2 Worlds wide production

Worldwide production of oxirane is classified as the Dow chemicals are the largest production
group for providing the Oxirane that is 16% of the worldwide production likewise the second
group is SABIC

Dow Chemicals
16% SABIC
Shell Chemicals
11% BASF
China Petrochemicals
38% 6%
Formosa Plastics
6% Ineos
5% SPDC
5% Reliance
3% Honan Petrochemicals
3% 3% 4%

Figure 2. 1 Global Production of Oxirane.

2.3 World Wide Consumption

The main consumer of oxirane is china and in Middle East Countries. The total global ethylene
oxide capacity in2012, 25% is in Middle East, 16% is in China and 12% is in the United States.
The rest of Asia accounts for 25% of the world’s capacity. These regions cover 79% of the

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Production of 100 MTPD of Oxirane.
 Figure 2. 2 Consumers of Oxirane

Of the total production. In 2012 the major ethylene oxide end products were monoethylene
glycol (MEG), Diethylene glycol (DEG), and triethylene glycols (TEG) they are 75% of total
consumption.
2.4 Capacity Selection

Based upon the production rate it is correct to say that demand of oxirane (ethylene oxide) is
in increasing on yearly basis as the current increasing demand of Oxirane is about 450 tons per
day. The production rate of oxirane in 2016 was 34.5 Million Ton per year and to next year in

2.5

1.5
Increment

0.5

0
2018 2019 2020 2021 2022 2023
increament 1.4835 1.63669 1.683 1.8308 1.9092 1.9913
Year
Figure 2. 3 increment demand of Oxirane per year

9|Page
Production of 100 MTPD of Oxirane.
2017 it reaches to 35.98 Million ton per year with the increment rate of 4.3% per year. Hence
we conclude that higher that demand might cause a pressure on the economics. Hence we have
selected the production capacity of oxirane for our project plant to be almost 2% of the
upcoming requirement that is 100 metric tons per day for meet the increasing demand for
Oxirane.

2.5 Site-Location
The proposed project is the production of Oxirane by Ep-Oxidation of ethylene. As we know
Karachi is the industrial & port city by erection and commissioning of this plant. The
economy of the city in particular and Pakistan in general will be increased and positive
impacts on the employment and increase the business opportunities. We suggest the Karachi
city is suitable for the plant of Oxirane as the transport of imported machinery via sea port
and regular provision of raw material and product will be cost effective. Karachi is a hub of
polymer industry so finding buyers for our product will be easy. .

2.6 References:

 [Link] oxide production Global CCS

institute 2016)
 Global and China Ethylene Oxide (EO) IndustryReport, 2017-2021.
 Ethylene oxide-Chemical Engineering and economics handbook (CEH) (October 2018)
[Link]

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Production of 100 MTPD of Oxirane.
 Chapter # 3
Literature review and process selection

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Production of 100 MTPD of Oxirane.
General
Ethylene oxide was first prepared in 1859 by Wurtz using potassium hydroxide solution to
eliminate hydrochloric acid from ethylene chlorohydrin. This led to an industrial production of
EO (Ethylene Oxide) which began in 1914. The direct catalytic oxidation of ethylene,
discovered in 1931 by Leffort, was gradually replaced by the chlorohydrin process. Today EO
is produced. By direct oxidation of ethylene with air or oxygen. It is these two basic types of
processes which have been significant in the commercial manufacturing of ethylene oxide
The chlorohydrin process is the oldest and has by the early 1960s rapidly being phased out and
is no longer in use. An overview of transition from chlorohydrin process to direct oxidation
process is shown in table (Number). The direct oxidation process is more economical and has
been important.

Table 3. 1 Capacity of united state thousand ton per year

Year Chlorohydrin Oxidation Total

1935 27 0 27

1940 44 5 49

1950 146 68 214

1960 252 696 948

1970 175 1750 1925

1980 0 2726 2726

Ethylene oxide is a product that is consumed all over the world. The Middle East, China and
United States stands for the majority of the market.

3.1 Methods of production

Industrial production of ethylene oxide started in 1925 using the following process with time

 Chlorohydrin process
 Direct oxidation

12 | P a g e
Production of 100 MTPD of Oxirane.
3.2 Chlorohydrin process
One of the two fundamental reactions that are involved in the production of ethylene oxide by
the chlorohydrin process is the reaction of ethylene with hypochlorous acid to form
chlorohydrin:

C2H4 + HOCl →HOCH2 CH2Cl

The second reaction is that of the chlorohydrin with a base, usually calcium hydroxide, to form
ethylene oxide.

HOCH2CH2Cl + ½ Ca(OH)2 → CH2CH2O + ½ CaCl2 + 2 H2O

The chlorohydrin process is carried out in packed towers at 27-43°C and 2-3 atm pressure at a
yield of 85-90%. To avoid formation of byproducts (ethylene dichloride, dichlorodiethyle ether
etc.) the concentration of chlorohydrin in the chlorohydration reaction solution is maintained
below 7 wt. %. The second step of the process, dehydrochlorination, is accomplished by adding
10 wt. % aqueous slurry of lime to the chlorohydrin solution. The mixture is then heated to just
less than 100°C in the hydrolyzer, a cylindrical vessel with a reflux condenser operating at
essentially atmospheric pressure. As the chlorohydrin reacts with the dissolved lime ethylene
oxide, byproducts and some water is formed.

3.2.1 Disadvantages

The main reason why chlorohydrin process is no longer in use is the economical factor. It is 3-
4 times more expensive to produce ethylene oxide by chlorohydrin process than by direct
oxidation process. Another disadvantage of the chlorohydrin process is the problem of treating
the large waste stream containing calcium chloride and amounts of chlorinated hydrocarbons
and glycols

3.3 Direct oxidation process

The direct vapor-phase oxidation of ethylene to ethylene oxide over a silver catalyst at 220-
300°C and 10-30 bar pressure produces few bi-products other than carbon dioxide and water.
The important reactions that occur are: Ethylene is oxidized with oxygen over a silver
alumina catalyst to form ethylene oxide.

CH2=CH2 + ½ O2 → CH2-CH2O (ΔH = -106.7 kJ/mol)

13 | P a g e
Production of 100 MTPD of Oxirane.
Ethylene is totally oxidized to form carbon dioxide and water.

C2H4 + 3 O2 → 2 CO2 + 2H2O (ΔH = -1323 kJ/mol)

Ethylene oxide is further oxidized to form carbon dioxide and water.

CH2CH2O +5/2 O2→ 2CO2 + 2H2O (ΔH = -1323 kJ/mol)

Assumption is made that the 3rd reaction does not take place and not affect the volume of
reactor so to prevent further oxidation of ethylene oxide, the ethylene conversion of the
commercial process is typically between 10-20% resulting in a recirculated gas loop.

Direct oxidation processes a few ppm of ethyl chloride (2.5-3.0 ppm) or vinyl chloride (4-6
ppm) is added to the gaseous feed to inhibit the complete oxidation reaction and increase
selectivity to ethylene oxide. Although small traces of bi-products, usually less than 0.1 % of
acetaldehyde and even smaller amount of formaldehyde are also produced.

CH2CH2O → CH3-CHO (Acetaldehyde)

CH2=CH2 + O2 → 2CH2O (Formaldehyde)

The direct oxidation (EO) process can be divided into air- and oxygen based processes.

 Direct oxidation with air

 Direct oxidation with oxygen

14 | P a g e
Production of 100 MTPD of Oxirane.
3.3.1 General process flow diagrams for Oxidation Process

Figure 3. 1 General process Flow diagram

3.4 Air Vs Oxygen Process Differences and Economics

The differences for all air and oxygen based plants with the same capacity and same type of
catalyst are that the oxygen based process yields a higher selectivity and requires less catalyst.
The air based process has a higher initial building cost but most of the small to medium plants
has a lower run cost. The oxygen based processes need a carbon dioxide removal section, more
stainless steel and some expensive instrumentation. For the air based process to achieve the
same selectivity it requires more catalyst, more reactors, a multi-stage compressor, air
purification unit, and a vent gas treating system and two to three reactor train in series. In spite
additional equipment for the air based process the selectivity is less than for an oxygen based
process. In 1970 the average selectivity for an air based process is 65-75% and for the oxygen
based process around 70-80%.

15 | P a g e
Production of 100 MTPD of Oxirane.
3.5 Process comparison

Table 3. 2 Comparison between different processes

Process Description Manufacturing Processes

Chlorohydrin Air based Oxygen based

Temperature 27-45 ℃ 220-277℃ 200-225℃

Pressure 2-3 bar 1-30 bar 1-22 bar

Selectivity N/A 80 % 90 %

Conversion 85-90 % 20-65 % 15 %

Economics High Moderate Low

On the basis of selectivity of oxirane and economics the Oxygen based process is selected.

3.6 Process description

The comparison shows that there are some advantages and disadvantages in both oxidation
processes but the major ream back of air oxidation process is its continuous addition and
removal of Nitrogen that requires extra separation units as well as disposal of catalyst also
make this process more disadvantageous and requires 2-3 reactor. Moreover, air purification
column is required which increase the initial as well as operating cost of plant. These are some
major drawbacks which makes the Oxygen base process more suitable for the production of
Oxirane .Now a day’s major portion of world production of Oxirane is based on Oxygen base
process.

3.6.1 Static Mixer

Fresh oxygen and ethylene feed streams (stream-1 & 2) is mixed with recycled stream (stream-
9) from the absorber column in the mixer. The resulting stream (stream-3) is then processed
further containing 20.12 mass% of Oxygen, 1.46 mass% of methane, 78.4 mass% ethylene and
0.00075 mass % of oxirane.

16 | P a g e
Production of 100 MTPD of Oxirane.
3.6.2 Reactor Feed Heater

Gaseous feed stream (stream-3) is then passed through heat exchanger which heat it up to the
required reaction condition temperature 224℃ and outlet stream (stream-4).

3.6.3 Reactor

After achieving reaction conditions in the heat exchanger, the reactant stream (stream-4) enters
the reactor at 224℃ .The reactor is isothermal shell and tube packed bed reactor, packed with
solid Silver catalyst supported on Alumina. The reactant enters the reactor on the tube side and
exothermic vapor phase reaction takes place. Heat of reaction is removed by introducing boiler
feed water (bfw) on the shell side of reactor in a counter current manner at 25℃ at 2 bar and
flows out at 80℃ .

Reactor gives 15 mol% conversion of ethylene with product molar selectivity of 90% of
ethylene oxide (Oxirane) and 10 % of CO2.

Oxirane production reaction:

C2H4 + 0.5O2 → C2H4O

C2H4 + 3O2 → 2H2O + 2CO2

3.6.4 Cooler

The reactor outlet stream containing 15.5 mol% oxygen,2.6 mol% methane 0.18 mol%
Carbon dioxide 76.4 mol% ethylene and 4.95mol% of oxirane and 0.18 mol% of water leaves
the reactor at 224℃ is cool down in cooler for absorption of oxirane in water. The
temperature 224℃ of stream -5 is cool down to 68℃ (stream-6)

3.6.5 Absorber column

Stream 6 at 68℃ is entered in a absorber from the bottom side and water at 25℃ in 20 %
excess is showered from top through sprinkles to absorb the ethylene oxide (oxirane). The
Ethylene oxide is completely absorb in water and due to heat of solution the temperature of
stream-10 increase. While the remaining gases are leave the absorber from top, compressed at
23 bar and recycled into mixer for next cycle.

17 | P a g e
Production of 100 MTPD of Oxirane.
3.6.6 Distillation column
Stream-10 is next move for the process of flash after flashing the Stream-11 is 5 bar
136.177℃ is entered in distillation column where ethylene oxide (oxirane) and carbon
dioxide is separated in top and minute amount of oxirane and water is collected down the
distillation column in reboiler.

3.6.7 Process flow Diagram

Figure 3. 2 Process flow diagram

3.7 References:
 Partial Oxidation of Ethene to Ethylene Oxide in Microchannel Reactors (11 December 2009)
Technische Universit¨ at Chemnitz, Fakult¨ at fur Naturwissenschaften
 Wiley-VCH.(24 August 2011).Ullmanns encyclopedia of industrial [Link]:Ullman
 Richard Turton.(2012). Analysis Synthesis and Design of Chemical Process. Europe : Prentic
Hall.
 Felder, R. M. and R. W. Rousseau, Elementary Principles of Chemical Processes (3rd
ed.),Wiley, New York, 2000.
 Perry, R. H. and D. Green, eds., Perry’s Chemical Engineering Handbook (7th ed.),
McGrawHill, New York, 1997.

18 | P a g e
Production of 100 MTPD of Oxirane.
 Chapter # 4
Material Balance

19 | P a g e
Production of 100 MTPD of Oxirane.
4.1 Mixer
4.1.1 Assumption:
 Max pressure Drop ∆P = 1 bar

4.1.2 General Mass Balance

Input − Output + Generation − Consumption = Accumulation

At steady State
0 0 0

Input − Output + Generation − Consumption = Accumulation

Mass in (kg) = Mass out (kg)

S1 + S2 + SRecycle = S4

Total Mass in = 2705 + 1683 + 51372

Methane

Ethylene

Oxirane

C Oxygen Methane

Ethylene
Oxirane A D Oxirane
Mixer Oxygen

Oxygen

Figure 4. 1 Schematic diagram of Mixer

20 | P a g e
Production of 100 MTPD of Oxirane.
Table 4. 1 Mixer Material Balance

Component Inlet (kg/hr) Outlet (kg/hr)

A B C D

Oxygen - 1683 9538.50 11221.76

Methane 2705.22 - 818.04 818.04

Ethylene - - 41015.74 43720.97

Oxirane - - 0.4171 0.4171

Total 2705.22 1683 51372.71 55761.19

4.2 Reactor:
4.2.1Assumption and Equations
Assumption:

 Process is isothermal

4.2.2 General Mass balance Equation for Chemical Reaction

Input − Output + Generation − Consumption = Accumulation

For steady state:

Input − Output + Generation − Consumption = 0

ϑℇ1
f=−
ni L.R

f = Fractional conversion

ℇ1 = Extant of first reaction

ϑ = Stoichiometric coefficient

4.2.3 Component Mass Balance

No of final moles = initial moles + stoichiometric coefficient *(extent of reaction)

𝐧𝒇 = 𝐧𝒊 + ℇ𝛝

21 | P a g e
Production of 100 MTPD of Oxirane.
 Outlet

Inlet

Figure 4. 2 Schematic diagram of Reactor

Table 4. 2 Reactor Material Balance

Component Inlet (kg/hr) Outlet (kg/hr)

Oxygen 11221.76 9538.498

Methane 818.04 818.04

Ethylene 43720.0974 41015.7464

Oxirane 0.4171 4171.49

Water - 63.1799

Carbon dioxide - 154.3439

Total 55761 55761

4.3 Absorption tower

4.3.1 Assumption:
 Oxirane is 99.99 % soluble in Water for given conditions.

 20 % excess water is used.

4.3.2 General overall Mass Balance:

At steady state
22 | P a g e
Production of 100 MTPD of Oxirane.
 𝐿𝑖 + 𝑉𝑖 = 𝐿𝑜 + 𝑉𝑜

4.3.3 Component Mass balance:

𝑋𝑖 . 𝐿𝑖𝑛 + 𝑌𝑖 . 𝑉𝑖𝑛 = 𝑋𝑖 . 𝐿𝑜 + 𝑌𝑖 . 𝑉𝑜

𝐿𝑖 = liquid Absorbent in

𝑉𝑖 = Gaseous mixture in

𝐿𝑜 = liquid solution out

𝑉𝑜 = Gaseous Mixture Out

Oxygen

C Methane

Carbon dioxide

Oxirane

Water B

Oxygen

Methane

Carbon dioxide A Carbon dioxide

Ethylene Oxirane

Oxirane D Water

Water Figure 4. 3 Schematic diagram of Absorber

Table 4. 3 Absorber Material Balance.

Component Inlet (kg/hr) Outlet (kg/hr)

23 | P a g e
Production of 100 MTPD of Oxirane.
 A B C D

Oxygen 9538.49 - 9538.49

Methane 818.04 - 818.04

Carbon dioxide 154.34 - - 154.34

Ethylene 41015.75 - 41015.74645

Oxirane 4171.49 - 0.000230298 4171.07

Water 63.18 37528.30 0 37592.06

Total 93290 93290

4.4 Distillation column

4.4.1 Assumption and Equations
Assumption for distillation are

 Oxirane is recovered 99.95 % in Top product

 Constant Pressure

4.4.2 General Mass Balance

𝐹 =𝐷+𝑊

4.4.3 Component Mass Balance

𝐹. 𝑋f= D. 𝑋𝑑 + W. X𝑤

Top product Carbon dioxide

Oxirane

24 | P a g e
Production of 100 MTPD of Oxirane.
 Water

Carbon dioxide

Oxirane Feed

Water

Oxirane

Bottom Product Water

Figure 4. 4 Schematic diagram of Distillation Column

Table 4. 4 Distillation Column Material Balance.

Components Feed (kg/hr) Top Product (kg/hr) Bottom Product

(kg/hr)

Carbon dioxide 154.34 154.34 -

Ethylene Oxide 4171.07 4168.98 2

Water 37592.06 18.79 73573

Total 41917.44 4342 37573

4.4.5 Overall Material Balance in Distillation Column

A B
Overall material balance

Figure 4. 5 Overall Material balance on Distillation Column

Table 4. 5 Distillation Column Overall Balance.

Inlet A (kg/hr) Outlet B (kg/hr)

Component Mass In Component Mass Out

25 | P a g e
Production of 100 MTPD of Oxirane.
 Ethylene 2705.23 Oxirane 4171.04
Oxygen 1683.25 Carbon dioxide 154.34
Water 37528.89 Water 37592.06
Total 41917.37 Total 41917.44

References:
 Kirk-Othmer. (1967). Encyclopedia of Chemical Technology. Volume 2. Chicago:
Interscience Publishers.
 Turton, R. (2012). Analysis Synthesis and Design of Chemical Processes. Prentice
Hall.
 Wiley-VCH. (24 August 2011). Ullmanms Encyclopedia of Industrial Chemistry.
Europe: Ulmann.

26 | P a g e
Production of 100 MTPD of Oxirane.
 Chapter # 5
Energy Balance

5.1 Introduction
5.1.1 First law of thermodynamics
“The First Law of Thermodynamics is a statement of energy conservation. Although energy
cannot be created or destroyed, it can be converted from one form to another.”

For example, internal energy stored in molecular bonds can be converted into kinetic energy,
potential energy can be converted to kinetic or to internal energy, etc. Energy can also be
27 | P a g e
Production of 100 MTPD of Oxirane.
transferred from one point to another, or from one body to a second [Link] general energy
balance for a process can be expressed as

Accumulation of Energy in System = Energy input to System – Energy Output from System

5.1.2 Energy
“Energy is the ability to do work.”

Energy comes in different forms:

 Heat (thermal)
 Light (radiant)
 Motion (kinetic)
 Electrical
 Chemical
 Nuclear energy
 Gravitational

Energy is often categorized as:

 Kinetic Energy
 Potential Energy
 Internal Energy

5.1.3 Kinetic Energy

A system’s kinetic energy is associated with directed motion (e.g. translation, rotation) of the
system. Translation refers to straight line motion. The kinetic energy Ek of a moving object of
mass “m” and travelling with speed “v” is given by,

1
𝐸𝑘 = 𝑚𝑣 2
2

5.1.4 Potential Energy

“Potential energy of a system is due to the position of the system in a potential field.”

This energy can be calculated as

𝐸 = 𝑚𝑔ℎ

Where “m” is the mass of object, “g” is the gravitational acceleration and “h” is the
height of the object from the reference position.

5.1.5 Internal Energy

All the energy associated with a system that does not fall under the above definitions
of kinetic or potential energy is internal energy. More specifically, internal energy is the energy
28 | P a g e
Production of 100 MTPD of Oxirane.
due to all molecular, atomic, and subatomic motions and [Link] internal energy will
be represented by the symbol U.

5.2 Mixer:

Oxirane, Ethylene, Oxygen, Methane

Oxirane T= 52.3 ℃

T= 25 ℃ P=22 bar

P=22 bar

Oxirane, Ethylene, Oxygen, Methane

T= 52.3 ℃
P=22 bar
Oxygen
T= 25 ℃
P=22 bar

Figure 5. 1 Schematic diagram of Mixer

As,

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ (𝑇 − 𝑇𝑟𝑒𝑓 )

Reference Temperature = Tref= 25 ℃

For Ethylene in feed

Table 5. 1 Fresh ethylene inlet condition

Component Cp (kJ/kg.K) Composition

Ethylene 1.53 1

∆𝑇 = (25 − 25) = 0

So,

29 | P a g e
Production of 100 MTPD of Oxirane.
 𝑄=0

For oxygen in feed

Table 5. 2 Fresh oxygen inlet condition.

Component Cp (kJ/kg.K) Composition

Oxygen 1.11 1

∆𝑇 = (25 − 25) = 0

So, 𝑄=0

For recycle stream

Table 5. 3 recycle inlet specifications.

Component Cp (kJ/kg.K) Mass composition

Ethylene 1.58 0.7984

Oxygen 1.14 0.185673

Oxirane 1.13 0.00000812

Methane 2.26 0. .015923

∑𝑥𝑖. 𝐶𝑝𝑖 = 1.51014 𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 51373.7128 ∗ 1.51014 ∗ (325.4 − 298)𝑘
hr 𝑘𝑔. 𝐾

𝑄 = 2125684.51kJ/hr

𝑄 = 590.468 kw

For outlet stream:

Table 5. 4 Stream outlet from mixer specifications

Component Cp (kJ/kg.K) Compostion

30 | P a g e
Production of 100 MTPD of Oxirane.
 Ethylene 1.58 0.784075

Oxygen 1.14 0.2012347

Oxirane 1.13 0.00000748

Methane 2.26 0. .014670

∑𝑥𝑖. 𝐶𝑝𝑖 = 1.51014 𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 55761.1937 ∗ 1.51014 ∗ (323.43 − 298)𝑘
hr 𝑘𝑔. 𝐾

𝑄 = 2125684.51kJ/hr

𝑄 = 590.468 kW

5.3 Heat Exchanger:

Ethylene Ethylene
Oxirane T=50.4℃ T=224℃ Oxirane
Oxygen Oxygen
P=22.1bar P=22.1bar
Methane Methane

Figure 5. 2 Schematic diagram of Heat Exchanger

Table 5. 5 Heat Exchanger inlet stream specifications

Components Cp (kJ/kg.K) Composition

Ethylene 1.94 0.784

Oxirane 1.46 0.00000748

Oxygen 1.43 0.020124

Methane 2.58 0.0146704

Duty of heat exchanger:

31 | P a g e
Production of 100 MTPD of Oxirane.
 ∑𝑥𝑖. 𝐶𝑝𝑖 = 1.58𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 55761.1937 ∗ 1.584 ∗ (497 − 323.43)𝐾
hr 𝑘𝑔. 𝐾

𝑄 = 1.53 ∗ 107 kJ/hr

𝑄 = 4263 kW

5.4 Reactor:

Ethylene Ethylene
Oxirane Oxirane
Oxygen Oxygen
Water T=224℃ T=224℃ Water
CO2 CO2
P= P= 22 bar P= 22 bar
Methane Methane

Figure 5. 3 Schematic diagram of Reactor

Energy balance on reactor:

Reactants Products
At 497 K At 224 K
K

Reactants Products
At 298 K At 298 K32 | P a g e
Production of 100 MTPD of Oxirane.
 Figure 5. 4 Energy Balance steps on Reactor

Reaction 1: C2H4+0.5O2 → C2H4O2

Reaction 2 C2H4+3O2 → 2CO2+ 2H2O

For Reaction 1, reactants from 497 K to 298 K.

𝑄 = (𝑛 ∗ 𝐶𝑝 ∗ ∆𝑇)𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠 + (𝑛 ∗ 𝐶𝑝 ∗ ∆𝑇)𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠 + ℎ𝑒𝑎𝑡 𝑜𝑓 𝑟𝑒𝑎𝑐𝑡𝑖𝑜𝑛

𝑘𝐽 𝑘𝑗
𝑄 = 1 𝑘𝑚𝑜𝑙 ∗ 44.3 ∗ (25 − 224)𝐾 + 0.5 𝑘𝑚𝑜𝑙 ∗ 36.4 ∗ (25 − 224)𝐾
𝑘𝑚𝑜𝑙. 𝐾 𝑘𝑚𝑜𝑙. 𝐾
𝑘𝐽 𝑘𝐽
+ 1𝑘𝑚𝑜𝑙 ∗ 49.9 ∗ (224 − 25) − (106 ∗ 350.702𝑘𝑚𝑜𝑙)
𝑘𝑚𝑜𝑙. 𝐾 𝑘𝑚𝑜𝑙

𝑄 = −1427.01𝑘𝑊

For Reaction 2, reactants from 497 K to 298 K.

𝑄 = (𝑛 ∗ 𝐶𝑝 ∗ ∆𝑇)𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠 + (𝑛 ∗ 𝐶𝑝 ∗ ∆𝑇)𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠 + ℎ𝑒𝑎𝑡 𝑜𝑓 𝑟𝑒𝑎𝑐𝑡𝑖𝑜𝑛

𝑘𝐽 𝑘𝑗
𝑄 = 1 𝑘𝑚𝑜𝑙 ∗ 44.3 ∗ (25 − 224)𝐾 + 3 𝑘𝑚𝑜𝑙 ∗ 36.4 ∗ (25 − 224)𝐾
𝑘𝑚𝑜𝑙. 𝐾 𝑘𝑚𝑜𝑙. 𝐾
𝑘𝐽 𝑘𝐽
+ 2𝑘𝑚𝑜𝑙 ∗ 37.9 ∗ (224 − 25) + 2𝑘𝑚𝑜𝑙 ∗ 33.6
𝑘𝑚𝑜𝑙. 𝐾 𝑘𝑚𝑜𝑙. 𝐾
𝑘𝐽
∗ (224 − 25) − (1323 ∗ 350.702𝑘𝑚𝑜𝑙)
𝑚𝑜𝑙

𝑄 = −1932.42 𝑘𝑊

Total heat 𝑄 = (−1427.01𝑘𝑊) + (−1932.42𝑘𝑊)

𝑄 = −3359.43𝑘𝑊

5.5 Heat Exchanger (102)

Ethylene Ethylene
Oxirane Oxirane
Oxygen Oxygen
T=224℃ T=68℃
Water Water
P=22bar P= 21.5 bar
CO2 CO2
Methane Methane 33 | P a g e
Production of 100 MTPD of Oxirane.
 Figure 5. 5 Schematic diagram of Heat Exchanger

Table 5. 6 Heat Exchanger inlet stream specifications

Components Cp (kJ/kg.K) Composition

Ethylene 1.94 0.73556

Oxirane 1.46 0.0748098

Oxygen 1.43 0.171059

Water 1.91 0.00133

CO2 0.961 0.0027679

Methane 2.58 0.01467

Duty of heat exchanger

∑𝑥𝑖. 𝐶𝑝𝑖 = 1.85 𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 55761.3 ∗ 1.85 ∗ (341 − 497)𝐾
hr 𝑘𝑔. 𝐾

𝑄 = −1.61 ∗ 107 kJ/hr

𝑄 = −4467.71 kW

5.6 Absorber
P=21 Ethylene
3
T=45 ℃ Oxygen
Methane
Water P=22 bar
2 Oxirane
T= 25 ℃

Ethylene
Oxirane P=21.5 bar
1
Oxygen Oxirane
T=68 ℃ T=59.17 ℃
Water 4 CO2
34 | P a g e
CO2 Production of 100 MTPD of Oxirane. Water
Methane
 P=21 bar

T=℃

Figure 5. 6 Schematic diagram of Absorber.

For Stream 1

Table 5. 7 Absorber inlet stream specifications.

Components Cp (kJ/kg.K) Composition

Oxygen 1.16 0.102

Methane 2.28 0.00877

CO2 0.87 0.00165

Ethylene 1.61 0.440

Oxirane 1.16 0.0447

Water 1.87 0.403

∑𝑥𝑖. 𝐶𝑝𝑖 = 1.65 𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 9.33 ∗ 104 ∗ 1.65 ∗ (341 − 298)𝐾
hr 𝑘𝑔. 𝐾

𝑄 = 6.63 ∗ 104 kJ/hr

𝑄 = 1.842 kW

For Stream 2:

Table 5. 8 Water inlet in Absorber specification

Component Cp (kJ/kg.K) Composition

Water 1.19 1

35 | P a g e
Production of 100 MTPD of Oxirane.
 ∆𝑇 = 𝑇 − 𝑇𝑟𝑒𝑓 = (25 − 25) = 0

So, 𝑄 = 𝑚𝐶𝑝 ∆𝑇 = 0

For Stream 3:

Table 5. 9 Top stream from Absorber components composition.

Component Cp (kJ/kg.K) Composition

Oxygen 1.16 0.18567

Methane 2.28 0.01592

Ethylene 1.61 0.79840

Oxirane 1.16 4.48293E-09

∑𝑥𝑖. 𝐶𝑝𝑖 = 1.5 𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 51372.2849 ∗ 1.5 ∗ (318 − 298)𝐾
hr 𝑘𝑔. 𝐾

𝑄 = 1538981.002kJ/hr

𝑄 = 427.49471840kW

For Stream 4

Table 5. 10 Bottom product in the absorber composition

Component Cp (kJ/kg.K) Composition

CO2 7.8555 0.00368

Oxirane 2.05 0.09951

Water 4.176 0.89681

∑𝑥𝑖. 𝐶𝑝𝑖 = 3.98 𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

36 | P a g e
Production of 100 MTPD of Oxirane.
 kg 𝑘𝐽
𝑄 = 41917.4868 ∗ 3.98 ∗ (332.17 − 298)𝐾
hr 𝑘𝑔. 𝐾

𝑄 = 5698286.277 kJ/hr

𝑄 = 1582.8573kW

Heat of Solution

𝑄 = −142.7 𝑘𝐽/𝑘𝑔

𝑄 = −595212.2877 𝑘𝐽/ℎ𝑟

𝑄 = −165.3376 𝑘𝑊

Total Energy 𝐸𝑛𝑒𝑟𝑔𝑦 𝐼𝑛 = 𝐸𝑛𝑒𝑟𝑔𝑦 𝑂𝑢𝑡

𝑆𝑡𝑟𝑒𝑎𝑚 1 + 𝑆𝑡𝑟𝑒𝑎𝑚 2 + 𝐻𝑒𝑎𝑡 𝑜𝑓 𝑠𝑜𝑙𝑢𝑡𝑖𝑜𝑛 = 𝑆𝑡𝑟𝑒𝑎𝑚 3 + 𝑆𝑡𝑟𝑒𝑎𝑚 4

2010 𝑘𝑊 = 2010 𝑘𝑊

5.7 Distillation
5.7.1 Condenser Duty:
Table 5. 11 Components entering Condenser.

Component Cp (kJ/kg.K) Composition

CO2 0.885 0.03555

Oxirane 1.21 0.96012

Water 1.88 0.00433

Sensible heat of Vapours:

∑𝑥𝑖. 𝐶𝑝𝑖 = 1.2013 𝑘𝐽/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 868.43 ∗ 1.2013 ∗ (−9.75)𝐾
hr 𝑘𝑔. 𝐾

𝑄 = −10172.044 kJ/hr

𝑄 = −2.8255 kW

37 | P a g e
Production of 100 MTPD of Oxirane.
Sensible heat of Liquid:

Table 5. 12 Sensible heat of components in Condenser.

Component Cp (kJ/kg.K) Composition

CO2 0.869 0.03555

Oxirane 1.15 0.96012

Water 1.87 0.00433

∑𝑥𝑖. 𝐶𝑝𝑖 = 1.1431 𝑘𝑗/𝑘𝑔.K

𝑄 = 𝑚 ∗ 𝐶𝑝 ∗ ∆𝑇

kg 𝑘𝐽
𝑄 = 868.43 ∗ 1.1431 ∗ (−21.85)𝐾
hr 𝑘𝑔. 𝐾

𝑄 = −21691 kJ/hr

𝑄 = −6.0253 kW

Latent Heat released:

Table 5. 13 Latent heat of components in Condenser.

Component 𝜆(kJ/kg) Composition

CO2 463.346 0.03555

Oxirane 793.433 0.96012

Water 2888.346 0.00433

∑𝑥𝑖. 𝜆𝑖 = 790.77 𝑘𝐽/𝑘𝑔.

𝑄 =𝑚∗𝜆

38 | P a g e
Production of 100 MTPD of Oxirane.
 kg kJ
𝑄 = 868.43 ∗ 790.77
hr kg

𝑄 = 686726.8338 kJ/hr

𝑄 = −190.7575kW

Total Heat released:

𝑄 = −199.608kW

5.7.2 Re-Boiler duty:

Table 5. 14 Components entering in Re-Boiler.

Component Cp (kJ/kg.K) Composition

Oxirane 793.433 5.551E-05

Water 2888.819 0.99995

∑𝑥𝑖. 𝜆𝑖 = 2888.7026 𝑘𝐽/𝑘𝑔.K

𝑄 =𝑚∗𝜆

kg 𝑘𝐽
𝑄 = 7517.07 ∗ 2888.7026
hr 𝑘𝑔

𝑄 = 21708802.25 kJ/hr

𝑄 = 6030.233 kW

5.8 Refernces:
 Levenspile, O. (1998). Chemical Reaction Engineering. Europe: Wiley
 Luben, W.L. (2009). Economic optimization of Oxirane production, Chemical
Engineering Communications.\

39 | P a g e
Production of 100 MTPD of Oxirane.
 40 | P a g e
Production of 100 MTPD of Oxirane.
 Chapter # 6
Equipment Design

Equipment Design
6.1 Reactor Design
Reactor is the heart of a chemical process industries. Reactor is the vessel where the main
chemical reaction takes place. Following the reactor are the preliminary treatment and raw
material preparation steps whereas followed by the reactor are product enrichment and
purification steps. The main objective in this chapter is to determine what type and size of the
reactor and mode of operation would be the best to get the desired yield and purity of required
product Oxirane.

6.1.1 Reactor Selection Criteria

Selection of the appropriate reactor for the process is as important as the accurate temperature
and pressure conditions for carrying out the reaction. Selection of the reactor depends on the
following factors;

 Mode of Operation (batch, semi batch or continuous)

 Type of Flow reactor
 Catalyst Bed (Fixed bed or fluidized bed)
 Reaction Phase (Homogeneous or heterogeneous catalysis)
41 | P a g e
Production of 100 MTPD of Oxirane.
Mode of Operation

In a batch reactor, the reacting contents are fed into a vessel all at a time and then removed
after some time. This is a closed system w.r.t mass i.e. no mass can cross the boundaries of the
vessel during the reaction residence time. If certain reagents are fed into the vessel while it is
processing a part of them, the reactor is termed as semi-batch. A continuous reactor is one that
permits the input and output of reagents during process.

A comparison of batch and continuous process is shown below;

Table 6. 1 Comparison between Continuous and Batch process.

Parameters Continuous Reactor Batch Reactor

Residence time Low High
Operating cost Low High
Rate of production High Low
Work force Low High
Ease of automation Easy difficult
Down time Low High
Equipment cost High Low

For the same production, the size of batch reactor is much larger as compared to a continuous
reactor. As the production capacity of the plant has been selected to be 100 metric tons per
day, continuous mode of operation is selected for the reactor.

Type of Flow reactor

On the basis of interaction of the reagents in the reactor, the reactors are classified as;

 Continuous Stirred Tank Reactor (CSTR)

 Plug Flow Reactor (PFR)

A CSTR is equipped with an impeller. One or more reagents, which may be solid or fluid are
fed into the reactor. The impeller agitates the reaction mixture at a given RPM to ensure
homogeneous mixing throughout. Contrary to CSTR, the reactants move in tubes without any
axial mixing in a PFR. The tubing is divided into small segments, each segment termed as a
plug. A brief comparison of PFR and CSTR is shown below:

42 | P a g e
Production of 100 MTPD of Oxirane.
Table 6. 2 overview of CSTR and PFR

Parameters CSTR PFR

Composition Uniform Varies along the length of the Reactor

Mixing Axial Perpendicular to the direction of flow

Agitation Required Prohibited

Temperature Uniform Varies along the length

Reactor Volume More Less (for the same degree of conversion)

Reaction phase (Gas- Rare Suitable

solid)

Reaction Phase

Since, the production of oxirane is a gas phase reaction, CSTR cannot be used. To choose the
appropriate reactor, PFR is studied further. Before going into the detail of reactor, the reaction
characteristics should be known i.e. whether the reaction is catalytic or non-catalytic. And if
the reaction is catalytic, it is homogeneous or heterogeneous.

Literature survey reveals that production of oxirane is a gas phase and takes place in the
presence of silver supported Alpha-Alumina catalyst (Ag/ α-Al2O3). Catalyst properties would
be discussed in detail later on in this chapter. Catalysis can be of two types;

 Homogeneous Catalysis
 Heterogeneous Catalysis

Homogeneous catalysis involves the reactants and catalyst in the same phase. The product
produced after reaction are also in the same phase. In other words, the whole reaction mixture

43 | P a g e
Production of 100 MTPD of Oxirane.
is in the same phase. In contrary to this, when the reactants and products differ in phase from
the catalyst, the reaction is said to be heterogeneous catalysis.

Catalyst Bed

Industrially, there are two practices by which heterogeneous catalysis is carried out. The
catalyst bed can either be packed bed or fluidized bed. Reactors in which the solid catalyst
particles remain static at their position relative to other particles are the fixed bed particles.
Whereas the reactors in which the particles are suspended in the fluid, solely due to upward
pressure of fluid are termed as fluidized bed reactors.

Table 6. 3 Characteristics of Fixed and Fluidized bed

Parameters Fixed Bed Fluidized Bed

Contact Phases Solid-Liquid or Solid-Gas Solid-Gas
Residence Time Less (leading to plug flow) High (leading to good mixing)
Pressure Drop Low High
Catalyst Loss No loss Possible
Catalyst Handling No difficulty Technical Difficulties
Max Operating Pressure High operating pressures 10-12 MPa
Operating Cost Low High
Supporting Equipment Not required Required
Keeping in view all the selection parameters, discussed above, the reactor selected for the
production of Oxirane is fixed bed, heterogeneous catalytic plug flow reactor. The major plus
points of the selected reactor can be summarized as follows;

 Small residence time

 Ease of operation
 Efficient heat transfer/removal
 High operating pressure

Catalytic Packed Bed Reactor

Heterogeneous catalytic packed bed reactors are a vital pillar of most chemical process
industries. Whether their importance is standardized by the sale value of the finished product
or the processing capacity, they stand out as the heart and soul of the industrial economy.

44 | P a g e
Production of 100 MTPD of Oxirane.
A simplest packed bed catalytic reactor consists of a cylindrical vessel in which the catalyst
bed is present. As the reactants flow through the catalyst bed, they are converted into products.
Common chemical processes that employee fixed bed reactors are production of sulfuric acid
by the catalytic oxidation of SO2 to SO3 and production of nitric acid by the oxidation of NH3.
The catalyst bed can be employed in the reactor vessel in one of the following ways;

 Single packed bed

 Multiple horizontal bed supported on trays arranged in a vertical stack
 Multiple parallel packed tubes in a single shell
 Packed bed on the shell side

Figure 6. 1 Different scheme for filling of catalyst

The main idea behind the use of multiple catalyst sections is to maintain adequate temperature
control within the system. Other factors encouraging the use of multiple beds include pressure
drop or adequate fluid distribution. In addition to the shell and tube configuration, some of
possibilities for heat transfer to or from fixed bed reactors include the use of internal heat
exchangers, annular cooling spaces or cooling thimbles. Cooling thimble is the circulation of a
portion of the reacting gases through an external heat exchanger. The figure below shows the
packed bed reactor configurations mentioned above. Catalytic packed bed reactors have a
number of advantages relative to other reactor types. The major stands out feature is the
simplicity in operation that leads to relatively low operating and maintenance [Link] does not
call for a large number of auxiliary equipment and is particularly appropriate for use in small

45 | P a g e
Production of 100 MTPD of Oxirane.
commercial units when investments of large sums for control, catalyst handling and supporting
facilities would be economically prohibitive.

Catalyst

A catalyst is a substance that lowers the activation energy of a chemical reaction. It does not
initiate a reaction, but provides an alternative path, which has high rate of reaction and lower
activation energy, at the same reaction conditions. A catalyst, in most cases, does not take part
in a chemical reaction.

Figure 6. 2 Function Of catalyst

Tabe 6. 4 characteristics of Catalyst (Ag/Al2O3)

Properties Values

Catalyst particle dia (dp) 0.003 m (3 mm)

Bed void fraction (Ԑ) 0.4

Catalyst density (𝜌cat) 1250 kg/m3

Coolant

The production of oxirane is exothermic in nature, while during the production of oxirane two
reactions take place one reaction is primary reaction in which oxirane form and other is the
side reaction in which ethylene reacts with excess oxygen to completely oxidized to give CO2
and water. As the optimum condition for oxirane production is 224 ºC but as reaction proceeds

46 | P a g e
Production of 100 MTPD of Oxirane.
the temperature of reactor increases which leads the formation of by-product. So, to control the
temperature of reactor there must supply of a coolant that will maintain temperature of reactor.
For this purpose, the selected coolant is Boiler Feed Water, which enter into reactor at 25 ºC
(2 bar) and will leave at 80 ºC will absorb the heat of reaction.

Selected Reactor

The reactor selected for the production of oxirane is Multi-tubular Fixed bed, Heterogeneous
Catalytic Plug Flow Reactor.

Design Parameters

The objective is to design a Multi-tubular Fixed bed, Heterogeneous Catalytic Plug Flow
Reactor. The material and energy balance of the reactor, calculated in the previous sections,
is summarized in the below
Reactants inlet feed rate = F = 1960.39 kmol/hr = 0.5441 mol/s

Feed rate of oxygen = FO2 = 350.702 kmol/hr = 0.0974mol/s

Mole Fraction of oxygen in feed = yo2 = 0.1788

Mole Fraction of ethylene in feed = yEt = 0.635

Operating pressure = P = 2200 kPa

Operating temperature = T = 497 K

Figure 6. 3 Configuration of Tubular reactor

Design Assumptions
47 | P a g e
Production of 100 MTPD of Oxirane.
Primary Reaction:
497 K ΔH r1
ͦ = -106 kJ/mol
C2H4 (g) + 0.5 O2 (g) C2H4O (g)
2200 kPa Ea1 = 2384 kcal/kmol
Secondary Reaction:
497 K ΔH r2
ͦ = -1323 kJ/mol
C2H4 (g) + 3O2 (g) 2CO2 (g) + 2H2O (g)
2200 kPa Ea2 = 10322 kcal/kmol

 The Kinetic study of these reactions shows that if we maintain constant temperature in
reactor then, the rate of formation of by product is negligible, hence primary reaction is the
slowest reaction and therefore the rate determining reaction
 The reactor is modeled as a packed bed multi-tubular plug flow reactor at steady state

6.1.2 Design Calculations

Reaction Zone Design
General Design Steps

 Specify conversion
 Calculate reactor volume using the performance equation
 Calculate the volume of the catalyst
 Calculate the weight of catalyst required
 Calculate total number of tubes
 Calculate Residence time
 Calculate inside and outside Heat transfer coefficient
 Calculate shell diameter
 Calculate Pressure drop across packed bed
 Calculate pressure drop on shell side

Step-1 (Specify Conversion)

Rate of Oxirane formation reaction is given by:
𝐸
0.653 𝐸𝑥𝑝 ( 𝑎 )∗𝑃
𝑅𝑇
r = ,
1
𝐸
1+[0.0098 𝐸𝑥𝑝( 𝑎 )∗𝑃]
𝑅𝑇

Where,

 r1 = rate of reaction (kmol/m3. s)

48 | P a g e
Production of 100 MTPD of Oxirane.
  Ea = activation Energy = -2384 kcal/kmol
 S = selectivity of oxirane = 90 %
 R = 1.99 [Link]-1
 T = operating temperature =224 ℃
 XA = 15 %
 The reaction temperature is 497 K so, conversion of ethylene is 15% (XA1 = 0.135 )

Step-2 (Calculation for Volume of reactor required)

𝑃𝑉 = 𝑛𝑅𝑇

𝑃 = 𝐶𝐴 𝑅𝑇 (nA /V = CA )

(1 − 𝑋𝐴)𝐶𝐴𝑜
𝐶𝐴 =
1 + 𝜖𝑋𝐴1

(1 − 𝑋𝐴 )𝐶𝐴𝑜 𝑅𝑇
P=
1 + 𝜀𝐴 𝑋𝐴

So rate of expression is modifies to as

𝐸 (1−𝑋𝐴 )𝐶𝐴𝑜 𝑅𝑇
0.653 𝐸𝑥𝑝 ( 𝑎 )∗
𝑅𝑇 1+𝜀𝐴 𝑋𝐴
r1 = ,
𝐸 (1−𝑋𝐴 )𝐶𝐴𝑜𝑅𝑇
1+[0.0098 𝐸𝑥𝑝 ( 𝑎 )∗ ]
𝑅𝑇 1+𝜀𝐴 𝑋𝐴

nf−ni 1− 1.5
ԐA = = = -0.33
ni 1.5

49 | P a g e
Production of 100 MTPD of Oxirane.
 yo2P 0.1788×22
CAo = = = 0.09656 kmol/m3
TR 0.082×497

0.135 𝑑xA
∫0 −𝑟𝐴
= Area of graph = base × average height

1285.775
1285.774
1285.773
1285.772
1285.771
-1/rA

1285.77
1285.769
1285.768
1285.767
1285.766
0 0.02 0.04 0.06 0.08 0.1 0.12 0.14 0.16
Xa

Figure 6. 4 Relationship between conversion and rate of reaction.

By using of 5 point rule:

𝑥𝐴 =0.135
𝑑𝑋𝐴
∫ = (𝑋𝐴 ∗ 𝑆1 ) ∗ [𝑓′ + 4𝑓′′ + 2𝑓′′′ + 4𝑓′′′′ + 𝑓′′′′′]
−𝑟𝐴1
0
= 174.25 x 3 . 𝑠/𝑘𝑚𝑜𝑙

Performance Equation of plug flow reactor

𝑋𝐴
𝑉 𝑑𝑋𝐴
= ∫
𝐹𝐴𝑜 − 𝑟𝐴
0

V = 174 [Link]-1 * 0.0974 kmol.m-3

V = 16.97 m3 ≈ 17 m3

For catalyst filling the free space given in volume is 10 %

V1 = 1.1 * 17 = 18.7 m3

VT ≈ 19 m3

Step-3 (Calculate Volume of Catalyst)

50 | P a g e
Production of 100 MTPD of Oxirane.
Vcat = Vr * (1-ε )

Vcat = 19 m3 * (1-0.4)

Vcat = 11.4 m3

Step-4 (Calculate mass of Catalyst)

𝑀𝑎𝑠𝑠 𝑜𝑓 𝑐𝑎𝑡𝑎𝑙𝑦𝑠𝑡 = 𝐷𝑒𝑛𝑠𝑖𝑡𝑦 𝑜𝑓 𝑐𝑎𝑡𝑎𝑙𝑦𝑠𝑡 ∗ 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑐𝑎𝑡𝑎𝑙𝑦𝑠𝑡

𝜌 =1250 kg/m3

Vcat = 11.4 m3

Mass Catalyst = 1250 kg/m3 * 11.4 m3

Mass of Catalyst = 14250 kg

Step-5 (Calculate Number of Tubes)

Tube layout selection based on

Di L
 ≥ 10 & ≥ 100
Dp Dp

Assumed dimension of tubes

 Di = 4.23 in = 0.1075 m
𝑃𝑟𝑖
 Tube wall thickness= 𝑆𝐸𝑗−0.6𝑃 + 𝐶𝑐

P= Operating pressure (kPa) = 1.1(operating Pressure) = 3300 kPa

ri = inside radius(m) = 0.0537 m
S= Max allowable strength (kPa) for S.S 316 = 54950 kPa
Cc= Corrosion Allowance = 2 mm
Tw = 0.1334 in
BWG = 10
 Do = 4.5 in = 0.1143 m
 Length of tube = LT =1.86 m

πDi2L1
[Link] = = 0.01688 m3
4

𝑉𝑟𝑒𝑎𝑐𝑡𝑜𝑟
𝑁𝑇 = = 1125
[Link]

51 | P a g e
Production of 100 MTPD of Oxirane.
Step-6 (Calculate Residence Time)

Mass flow of Feed = 55761.2 kg/hr

Density of feed Gas = 15.97 kg/m3

Volumetric feed rate = 0.9699 m3/s

Vreactor
𝜏 = Residence time =
Vfeed

19
= 0.90699 = 19.58 sec

𝜏 = 20 sec

Step-7 (Tube Side Heat Transfer Coefficient)

Area available for Heat transfer = Aav = 𝜋∗𝐷𝑜∗𝐿𝑡∗𝑁𝑡 = 750.22 m2

𝜋𝐷𝑖 2
Flow Area of 1 tube = A = = 0.00907 m2
4

Mass velocity per unit area = Gt = 55761.2 / (0.00907∗1125) = 1.516 kg/m2.s

𝑘 𝐷𝑝 𝐺𝑡 0.9
ℎ𝑖 = [ 0.813 ∗ exp (−6 ∗ ) ∗ (𝐷𝑝 . ) ]
𝐷𝑡 𝐷𝑇 µ

K (Average thermal Conductivity) = 0.0483 W/m.K

µ (Average Viscosity) = 0.000025 Pa.s

hi = 33.42 W/m2 . K

Step-8 (Shell Side Heat Transfer Coefficient)

Cooling Medium: Water

Inlet temperature = 25 ºC Outlet Temperature = 80 ºC Pressure =2 atm

𝑄
Mass flow rate = m = 𝐶𝑝∆𝑇 = 14.6 kg/s

For triangular tube pitch = Pt = 1.25 * Do =0.1429 m

1.1
De = Equivalent Dia = 𝐷𝑜 (𝑃𝑡 2 − 0.907𝐷𝑜 2 )= 0.0824 m
52 | P a g e
Production of 100 MTPD of Oxirane.
 𝑁𝑇 1/𝑛1
Db = Dia of tube Bundle = 𝐷𝑏 = 𝐷𝑜 [ 𝐾1 ] = 4.08 m

(K1= 0.319, n1 = 2.142)

Clearance = Cl = 0.02m (R. Sinnot Fig. 12.12)

Ds= Dia of shell = Db + Cl = 4.136 m

Bs= Baffle spacing = 0.4*Ds = 1.65 m

𝐿
No of baffles = 𝐵 − 1 ≈ 1
𝑠

[(𝑃𝑇 −𝐷𝑜 )∗𝐷𝑠 ∗𝐵𝑠 ]

Flow Area = As = = 1.37 m2
𝑃𝑇

Mass Velocity = Gs= 10.67 kg/m2.s

De∗G𝑠
Reynolds No. = Re = = 1636.58 µ= 0.00053 Pa.s
µ

(Jh = 0.02 for 25% cut baffles)

C𝑝 ∗µ
Prandtle No. = Pr = = 3.511 k = 0.639 W/m*K
k

Viscosity at wall temperature = 𝜇𝑤 = 0.00012 Pa.s

k µ
h𝑜 = ((Jℎ ∗ NRe ∗ 𝑃𝑟 0.33 ) ( )^0.14)
De µ𝑤

ho = 829.95 W/m2 . K

Step-9 (Overall heat transfer coefficient)

D
1 1 1 D𝑜 ln ( D𝑜 ) D 1 D𝑜 1
𝑖 𝑜
= + + + ∗ + ∗
U𝑜 h𝑜 h𝑂𝐷 2kW D𝑖 h𝑖 D D𝑖 h𝑖

For S.S-316 Kw = 16.2 W/m*K

For water Rd = 0.0002

For light organic gases Rd = 0.0005

Uo= 29.18 W/m2 . K

53 | P a g e
Production of 100 MTPD of Oxirane.
 ∆𝑇2 −∆𝑇1
LMTD = ∆𝑇2 = 170 ºC
ln( )
∆𝑇1

Q
Area Required = Ar = U ∆T = 676.94 m2
𝑙𝑚

Area Available > Area Required

(A𝑎𝑣 −A𝑟𝑞 )
Excess Area = ∗ 100% =11%
A𝑟𝑞

Excess Area must be > 10% (McGraw Hill pg 736)

So assumed I.D was correct.

Length of reactor = 1.2*(Length of tube) (McGraw Hill pg 736)

Length of shell = 2.232 m

Step-10 (Calculate Pressure Drop across Packed Bed)

Assumptions

 All particles of same sizes

 No rough surface present
 All particles are spherical
 Internal porosity of particles is neglected

Pressure drop can be calculated by using Ergun’s equation

∆𝑃 𝐺(1 − 𝜀) 150 (1 − 𝜀)𝜇

= [ + 1.75𝐺]
𝐿 𝜌𝜀 3 𝐷𝑝 𝑑𝑝

 ρ = 15.97 kg/m3
 G = 0.09494 m/s
 𝜇 = 2.5×10-5 Pa s
 𝜺 = 0.4
 L = 1.86 m
∆𝑷 = 1.88 kPa = 0.27 psia

Pressure drop is reasonable so design is satisfactory.

Step-11 (Calculate Pressure Drop Across shell side)

Pressure drop can be calculated by using

Ds L ρ 2 μs −0.14 54 | P a g e
∆Ps = 8 ∗ f ∗ ( ) ∗ ( ) ∗ ( v ) ∗ ( )
ProductionDeof 100BMTPD
s 2 of Oxirane.
μw
  Us 0.0106 m/s
 F = 0.03
 𝜌 = 1000 kg/m3
 𝜇 = 0.00053 Pa.s
 Bs = 1.65 m

∆𝑷 = 0.0585 kPa = 0.0085 psia

Pressure drop is reasonable so design is satisfactory.

6.1.3 Mechanical Design of Reactor

 Design Temperature
 Design Pressure
 Minimum wall thickness
 Material of Construction
 Head Selection

Design Temperature:
Operating temperature = 224 °C
10% of operating temperature
Design temperature = 247 °C
Design Pressure:
5-10 % of operating pressure
Operating Pressure = 22 bar
PD = 24.2 bar

Material of Construction:
Material of construction is stainless steel.

For Cylindrical Shell, Minimum Wall Thickness:

𝑃𝑟𝑖
𝑡 (𝑚) = + 𝐶𝑐
𝑆𝐸𝑗 −0.6𝑃

Where,

𝐸𝑗 = 𝐽𝑜𝑖𝑛𝑡 𝑒𝑓𝑓𝑖𝑐𝑖𝑒𝑛𝑐𝑦 = 1

55 | P a g e
Production of 100 MTPD of Oxirane.
 𝑆 = Max. Allowable Stress = 94950 kPa

Cc = Corrosion allowance = 0.002m

ri = radius of shell = 2.068 m

P = 220kpa

t = 0.00479 m

Head Selection:

Table 6. 5 Selection of head on the basis of operating pressure

Head Pressure Range

Tori-spherical Head Upto 15bar

Ellipsoidal Head Above 15bar

Hemi-spherical Head For high pressures

So, selected head is ellipsoidal because of pressure is greater than 15 bar.

For ellipsoidal head,

𝑷𝑫𝒂
𝑻𝒘 = + 𝑪𝒄
𝟐𝑺𝑬𝒋 − 𝑷

Where,

P = 220 kpa

Da =dia of shell = 4.146m

Ej = 1.0

Cc = 0.002m

S = 114444kpa

t = 0.0059 m

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Production of 100 MTPD of Oxirane.
6.1.4 Specification Sheet of Reactor (R-101)
Table 6. 6 Specification sheet

Multi-tubular Fixed Bed, Heterogeneous Catalytic Plug Flow Reactor

Operation: Continuous

Orientation: Horizontal
Catalyst
Ag/α-Al2O3 Volume used: 11.4 m3
Mass: 14250 kg Shape: Spherical
Shell and Tube Specifications
Tube Side Specifications Shell Side Specifications
Outer diameter: 0.1143 m, BWG 10 Shell inside diameter: 4.136 m
Length of Tube: 1.86 m Length of Shell: 2.232 m
Heat Transfer Area Required: 676.4 m2
Residence Time: 20 seconds
Volume of Catalyst Packed Bed Reactor: 19m3
Pressure Drop across Catalyst Packed Bed: 1.88 kPa
Pressure Drop across shell side : 0.058 kPa
Material of construction: Stainless Steel (316) (for both tube and shell)

57 | P a g e
Production of 100 MTPD of Oxirane.
6.2 Heat exchanger design
6.2.1 Selection Criteria
Table 6. 7 Selection criteria for Heat Exchanger

Exchanger type Feature and limitation

Double pipe heat exchanger Capacity : small scale

Expensive: less

H.T. area: maximum

Operate at: high temp. & pressure

Fluid viscosity: Both high/low

Shell and tube heat exchanger Capacity: large scale

Expensive: less

H.T. area: maximum

Operate at: high pressure

Fluid viscosity: both

Gasket and welded plate exchanger Capacity: small scale

Expensive: much

H.T. area: maximum

Operate at: low temp. & pressure

Fluid viscosity: viscous

Compact heat exchanger Capacity: large scale

Expensive: much

H.T. area: maximum

Operate at: low pressure & temp.

Fluid viscosity: gas-gas

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Production of 100 MTPD of Oxirane.
From above limitation and conditions “Shell and Tube heat exchanger” is suitable for our
system.

6.2.2 Shell and tube heat exchanger

Table 6. 8 Selection of the type of Heat Exchanger

Fixed tube exchanger Simple

Economical

U-tube type exchanger Expensive at low pressure

Difficult cleaning

Floating head exchanger Can handle both high temperature and

pressure stream.

Cleaning easily

6.2.3 Design Steps of Heat Exchanger

The main steps of design as follows:

 Selection of heat exchanger

 Perform energy balance and find out the duty of heat exchanger
 Obtain the required properties of hot and cold fluids
 Calculate LMTD and true temperature
 Assume (Uo) overall heat transfer coefficient and calculate provisional area
 Configuration selection of tube and shell side
 Calculate flow area, mass velocity and Reynolds number
 Calculate hi and ho
 Calculate Uo to verify the assumption
 Calculate the pressure drop

6.2.4 Calculation of heat exchanger

Heat duty
Q= m * Cp * ΔT

Where;
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Production of 100 MTPD of Oxirane.
m = mass flow rate

Cp = heat capacity

ΔT = temp. Difference

Q = 3523.1537kW

Properties of hot steam

Viscosity = 0.0000123pa.s

Thermal conductivity = 0.6455W/m.K

Log mean temperature difference

LMTD = (Δt1-Δt2)/ln(Δt1/Δt2)

=80.06℃

Assumption

U = 500W/m2K

Provisional area

A = Q/U*Tlm

= 110.02m2

Tube configuration

From table 10 heat exchanger tube data

BWG = 16

Inside diameter = 0.0221m

Outside diameter = 0.02540m

Length = 4.88m

Passes = 2

Area of one tube = 0.38870m2

Number of tube = provisional area/area of one tube

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Production of 100 MTPD of Oxirane.
 = 232

Bundle and shell diameter

Bundle diameter = (𝑂. 𝐷)𝑡𝑢𝑏𝑒 (N𝑡 /k1 )1/n1

k1 = 0.249

n1 =2.207

Db = 0.6357

Using split ring floating head

Bundle diameter clearance = 0.057m (figure 12.10 from R.K Sonnet)

Shell diameter (Ds) = Db+C =0.6927m

Tube side coefficient (Hot fluid)

Tube cross sectional area = (𝜋/4)*Di2 =0.04447m2

Tube per pass = 116

Total flow area = 0.000383m2

Mass velocity = Gt = mt/At

=349kg/Sec. m2

Reynolds number = ρ * Di * ut / μ

= 311

Overall coefficient

hi = 0.023k/Di * (D*Gt / µ)0.8 * (Cp*µ / k)0.33

= 600.42W/m2.K

ho = 1213116.4W/m2K

1/U = 1/ho + 1/hod + Do*ln(Do/Di)/2kw + Do/Di * 1/hid + Do/Di * 1/hi

U = 600W/m2K
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Production of 100 MTPD of Oxirane.
Shell side coefficient

Baffle spacing = Ds/5 = 0.13855m

Tube pitch = 1.25 * O.D. = 0.03175m

Equivalent diameter = De = 1.1/Do* (Pt2 – 0.917Do2) = 0.01803m

Flow area = (Pt – Do)/Pt * (Ds * Lb) = 0.01919m2

Mass velocity = Gt = 675kg/s.m2

Reynolds number = (De * Gs) /μ = 990773

6.2.5 Pressure drop calculation

Shell side
At Re = 990773, f = 0.0019ft2/inch2, Jf = 0.0021

−0.14
ΔPs = 8*Jf[(Ds/De)*(L/Bs)*((ρ*us2) /2) (𝜇𝑠 ⁄𝜇𝑤 ) ]

= 52.344 kPa

Tube side

At Re = 311, f = 0.0029ft2/inch2, Jf = 0.025

−0.14
ΔPt = Np[8*Jf[(Ds/De)*(L/Bs)*((ρ*us2) /2) (𝜇𝑠 ⁄𝜇𝑤 ) ]

Np = number of passes = 2

ΔPt = 18.97 kPa

6.2.6 Specification sheet

Table 6. 9 Specification Sheet for Heat Exchanger

Heat Exchanger
Heat transfer area 110m2
Total number of tube 232
Diameter of shell 0.6357m
Overall heat transfer coefficient 500
Total pressure drop (shell side) 52.344 kPa

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Production of 100 MTPD of Oxirane.
 Total pressure drop (tube side) 18.97 kPa

6.3 Absorber design

Figure 6. 4 Schematic Diagram of Absorber

Absorption
“Gas absorption is the removal of one or more selected components from a mixture
of gases by absorption into a suitable liquid. “It is second major operation of
Chemical Engineering that based on mass transfer. In gas absorption a soluble vapors

63 | P a g e
Production of 100 MTPD of Oxirane.
are more or less absorbed in the solvent from its mixture with inert gas. The 'purpose
of such gas scrubbing operations may be any of the following:

a) For Separation of component having the economic value.

b) As a stage in the preparation of some compound.
c) For removing of undesired component (pollution).
6.3.1 Types of Absorption
Table 6. 10 Type selection of Absorber

Physical Absorption Chemical Absorption

Forces operating in these are weak Forces operating in these cases are
Vander Waal’s forces. similar to those of a chemical bond.

Process is reversible. Process is irreversible.

Equilibrium is attained readily. Equilibrium is attained slowly.

Not very Specific. Highly Specific.

6.3.2 Selection of Absorbent

The choice of the process solution is determined by the process pressure and
temperature conditions at which the gas to be treated is available, its composition with
respect to major and minor constituents and the purity requirement of the treated gas.

6.3.3 Properties of An Ideal Absorber

 A high solubility for the solute(s)
 A low volatility to reduce loss
 Stability and inertness
 Low corrosiveness
 Low viscosity and high diffusivity
 Low foaming proclivities
 Low toxicity and flammability
 Availability, if possible, within the process
 A low cost
6.3.4 Types of Column
The Column which are used for absorption purposes are:

64 | P a g e
Production of 100 MTPD of Oxirane.
  Plate column

 Packed Column

 Spray Tower

 Bubble Column

 Centrifugal Contactor

Mostly types used in industries:

 Packed Column

 Plate Column

6.3.5 Selection of column

Table 6.11 Difference between Plate and Packed column
Packed Column Plate Column
Provides continuous contact Plate column brings the two phases
between vapor and liquid phases. into contact on stage wise basis.
Relatively low pressure drop in Additional friction generated as the
packed column as compared to plate vapor passes through the liquid on
column. each tray.
In a packed tower the liquid flows as a Because of the liquid on each plate
thin film over the packing. there may be a urge quantity of the
liquid in plate column.

For corrosive liquids, a packed column For corrosive fluids, plate column is
will usually be cheaper than the usually avoided.
equivalent plate column.

Small space requirement. Relatively large in size and expensive.

On the basis of Corrosive fluid, required conditions & from the above consideration
packed column is selected as the absorber because in our case the as the solubility is

65 | P a g e
Production of 100 MTPD of Oxirane.
infinity so the liquid will absorb as much gases as it remain in contact with gases so
packed tower provide more contact, it is easy to operate.

6.3.6 Selection of Column Internals

The packing is the most important component of the system. The packing provides
sufficient area for intimate contact between phases. The efficiency of the packing with
respect to both Height and flow capacity determines to a significance extent the overall
size of the tower. The economics of the installation is therefore tied up with packing
choice. Common Packing materials are:

 Metal
 Plastic
 Ceramic

To resist the column internal conditions and to withstand with corrosive fluid, we
prefer ceramic material because of its corrosion resistance at elevated temperatures
and superior wettability.

6.3.7 PRINCIPAL REQUIREMENT OF A TOWER PACKING

Figure 6. 5 Column size range

It must be chemically inert to the fluids in the tower.

 It must be strong without excessive weight.

 It must contain adequate passages for both streams without excessive liquid
hold up or pressure drop.

 It must provide good contact between liquid and gas.

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Production of 100 MTPD of Oxirane.
  It must be reasonable in cost.
6.3.8 Selection of packing
Common Packing types are:

a) Berl Saddle.

b) Intalox Saddle.

c) Raschig rings.

d) Lessing rings.

e) Cross-partition rings.

f) Single spiral ring.

g) Double - Spiral ring.

h) Triple - Spiral ring.

For column diameter of greater than 0.9 m, recommended packing size is 2in. to
3in. Intalox Saddles (2 in.) have been selected because;

 It provides a larger contact area per unit volume.

 It has an open structure, high bed porosity and more mass transfer efficiency
than others.

 Also provides high flooding limits and low pressure drop.

 Material of packing is ceramic because it resists corrosion.

6.3.9 Design steps
 Flow rates and Compositions
 Separation Component
 Selection of Absorbent
 Packing Selection
 Selection of Column
 Pressure Drop Calculations
 Calculation of Column Diameter
 Calculation of N

67 | P a g e
Production of 100 MTPD of Oxirane.
  Calculation of Height

Calculation:
Flow rate of entering gas = Vm= 91207.01 kg/hr

Flow rate of Absorbent Added = Lw =2083.16 kg/hr

Temperature of entering gas= Tv =68c

Temperature of absorbent =TL=25c

Pressure of entering gas = Pv = 21.5 bar

Pressure of Absorbent = PL = 22 bar

Density of entering gas= ρv = Pv *M/R*Tv =19 kg/m3

Density of Absorbent = ρv =998 kg/m3

Viscosity of Absorbent = 0.6 cp = 0.0006 kg/m.

Now , Calculate the flow factor

𝐿∗ 𝜌
𝑉
𝐹𝐿𝑉 = 𝑉𝑊
∗ √𝜌 = 0.0037
𝑊 𝐿

Estimating ΔP through Kister and Gill Empirical co-relation:

∆P = 0.115Fp 0.7

Where,FP is called a “Packing factor” available in Literature for all type of Packing Elements.

From Table, FP = 40 ft-1 = 131.1 m-1

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Production of 100 MTPD of Oxirane.
 Now, (ΔP) = 3.49 inch of H2O/ft = 88.89 mm of H2O/m of packing height

Determining the value of K4 from the Graph to calculate Area of the Column using
superficial gas flow rate V*w .Now, calculate the value of K4 from Graph

Figure 6. 6 Flv Factor.

Now,
K4 ≈ 5.2
As we know that
.
2 μ 01
13.1(Vw ) FP ( L)
ρL
K4 = ρV (ρL −ρV )

K ρ (ρ −ρV )
4 V L
Vw = [13.1F (μ ⁄ρ
] 0.5
P L L )0.1

By putting the values calculate Vw is

Vw is = 15.30 kg /[Link]
And
*Vw = 91207.01 kg/hr
*Vw = 25.91 kg/sec
Now we Calculate the Area of Column
A = (V*w / Vw)

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Production of 100 MTPD of Oxirane.
 A = 25.91/ 15.3 = 1.69 m2

Now Calculate Tower Dia

D = ( 4 * A /𝜋 )0.5
D = 1.46 m
The Height of column can be calculated using a relation
Z= HETP (N)
HETP = Height Equivalent to theoretical Stage
N = Number of theoretical Stage
HETP can be calculated by using Thumb Rule mentioned in Timmerhaus
HETP = D0.3 For Absorption Column with D > 0.5
HETP = D0.3 = ( 1.46 ) 0.3 = 1.120

Figure 6. 7 NOG value

Now Determine the NOG from Graph
Now Calculate the Theoretical Number of Stage By using
N = Nog( A/1-A ) ln (1/A)
Ratio of pressure

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Production of 100 MTPD of Oxirane.
 Y1/Y2 = P1/P2 = 22/21.5= 1.023
mGm. /Lm = 0.9
Gm =4171.49 kg/hr
Lm = 2083.16 kg/hr
Where
m = Slope of operating line (L/V)
(L/V) can be evaluated from the operating line equation
Which is
V (Yn+1 – Y1) = L (Xn – X0)
X and Y are the mole fraction of solute in liquid and Vapor phase respectively
m = (L/V) = ( 0.44989-0) / (0.99876-0) = 0.44986

Now, A is called the ‘Absorption factor’ and can be obtained by:

A = L /( K* V)
Where K is the slope of equilibrium line
K= 0.0002
Now the total number of theoretical stage
N = Nog( A/1-A ) ln (1/A)
By putting the Value

N = 8.998 m
Z = HETP (N)
Z = 1.120 (8.998)
Z = 10.07 m
Allowance for liquid distributor = 1.2 m
Hence
Total Height of column = 11.2 m

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Production of 100 MTPD of Oxirane.
6.3.10 Absorber Specification Sheet
Table 6. 12 Specification Sheet of Absorber

Specification Sheet
Item Packed Absorption Column
No. required 1
Column Type Packed
Item Code A-101

Function
Removal of Oxirane from gaseous mixture.

Design Data
Diameter 1.46 m Size of Packing 50mm
Area of Column 1.69 m2 Packing Random Packing
Arrangement
Operating 68℃ Pressure drop 88.89 mm of
Temperature water of packing
Design Pressure 22 bar Type of Gas Through type gas
distributer distributer
Type of Packing Intelox saddles Type of packing Gas injection
support support
No. of transfer 8.991 m Type of liquid Through type
units distributer liquid distributer
HETP 1.120 m Height of Column 11.2 m

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Production of 100 MTPD of Oxirane.
6.4 Distillation

6.4 .1What is distillation?

Distillation is a separation process of liquid mixtures based on their boiling points or relative
volatility. In simple distillation process, a volatile compound is evaporated and channeled
through a distillation column into a condenser, where it is eventually captured. Distillation
columns consist of an array of trays, in which the lowest and highest boiling liquids are
collected at the top and bottom of the column, respectively.

6.4.2 Why choose distillation?

If the ratio of boiling point of heavy key and light key at given temperature and pressure is
greater than 1.2 then we can use distillation for the separation of light key component fron
heavey key component.

151.3912℃
Boiling Point ratio =
58.3448℃

Boiling Point ratio = 2.6 > 1.2

6.4.3 Advantages of Distillation

1. It’s easy to implement.

One of the biggest benefits of fractional distillation is that it’s easy to use. As long as you
set up a fully functional and well-designed system, you can leave it as is to do its job. You only
need to check the system on a regular basis to ensure it’s functioning properly, find out if it
needs repairs, and fix whatever needs fixing. Modern fractional distillation setups are
automated using microprocessors, which make the process even easier.

2. It’s highly effective and efficient.

Fractional distillation has been proven by countless experiments and actual processes to be
effective. In fact, it’s widely used in many industrial settings to create the products that modern
society needs. Fractional distillation is also highly efficient, especially for systems that use
stacked distillation columns, which produce more output at lower costs.

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Production of 100 MTPD of Oxirane.
6.4.4 Material balance

Top product Carbon dioxide

Oxirane
Water

Carbon dioxide
Oxirane Feed
Water D.C

Oxirane
Bottom Product Water
Figure 6. 8 Schematic diagram of distillation column.
Table 6. 13 Mass flow rates for feed top and bottom streams.

Components Feed (kg/hr) Top Product (kg/hr) Bottom Product

(kg/hr)
Carbon dioxide 154.34 154.34 -

Ethylene Oxide 4171.07 4168.98 2

Water 37592.06 18.79 73573

Total 41917.44 4342 37573

Temperature (℃ ) 136.177 33.4 151.4

Pressure ( Bar ) 5 5 5

6.4.5 Design Steps

• Comparison of internals in distillation column.
• Feed Condition i.e. saturated liquid, sub cooled liquid etc.
• Distillation Top and Bottom Temperature.
• Average Relative volatilities w.r.t reference component.
• Minimum number of stages.
• Minimum reflux.

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Production of 100 MTPD of Oxirane.
 • Actual reflux.
• Actual number of stages.
• Feed point.
• Distillation column Diameter calculations (Top and Bottom).
• Weir Length.
• Weeping.
• Pressure Drop.
• Down Comer liquid backup.
• Residence time.
• Entrainment (ψ).
• Perforated Area.
• L/D Ratio.

6.4.7 Comparison of column internals

Table 6. 14 Comparison between Sieve, Valve and Bubble-Cap trays.

Sr. NO. Factors Sieve Tray Valve tray Bubble-Cap

tray
1 Capacity High High Low
2 Efficiency High High Moderate
3 Pressure drop Low Moderate High
4 Cost Low 1.2 times of 3 times of Sieve
Sieve tray tray

5 Maintenance Low Moderate High

6.4.8 Feed Condition

Table 6. 15 Feed Bubble and due temperature calculations

Components Composition Antione Constants

A B C
CO2 0.001605 7.58828 861.82 271.883
Ethylene Oxide 0.043339 7.26969 1114.78 243.301
Water 0.955056 8.07131 1730.63 233.426

System Pressure=Pt = 5 bar

Antoine Equation
B
𝑙𝑜𝑔10 (P) = A −
C+T
Pi
K-Values Ki = Pt

Bubble Temperature

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Production of 100 MTPD of Oxirane.
 Σ 𝑘𝑖 𝑥𝑖 = 1 Temperature= 136.177 ℃
Dew temperature
Σ 𝑦𝑖 /𝑘𝑖 = 1 Temperature= 149.91 ℃
6.4.9 Distillation Top Temperature Calculations:

Table 6. 16 Distillation top section temperature calculation

Components Composition Antione Constants

A B C
CO2 0.0353557 7.58828 861.82 271.883
Ethylene Oxide 0.954126 7.26969 1114.78 243.301
Water 0.0105118 8.07131 1730.63 233.426

Bubble Temperature
Σ 𝑘𝑖 𝑥𝑖 = 1 Temperature= 33.7 ℃
Dew Temperature
Σ 𝑦𝑖 /𝑘𝑖 = 1 Temperature= 65.19 ℃
6.4.10 Distillation Bottom Temperature Calculations
Table 6. 17 Distillation bottom section temperature calculation

Components Composition Antione Constants

A B C
CO2 0 7.58828 861.82 271.883
Ethylene Oxide 2.26999E-05 7.26969 1114.78 243.301
Water 0.999973 8.07131 1730.63 233.426

Bubble Temperature
Σ 𝑘𝑖 𝑥𝑖 = 1 Temperature= 151.39 ℃
Dew Temperature
Σ 𝑦𝑖 /𝑘𝑖 = 1 Temperature= 151.39 ℃
6.4.11 Relative Volatilities:
Pi
Volatility = α =
Pt
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Production of 100 MTPD of Oxirane.
 α1 = 95.10676 ; α2 = 7.433435 ; α3 = 1
[Link] Reference Component
Reference Component = ∑ni=1(xi ∗ Molecular weight)=19.05kg/kgmole
Which is closer to 18 kg/kgmole, molecular weight of Water. So, Water is reference Component

αComponent
α=
αReference Component

α13top = 596.76756 ; α23 top = 24.001 ; α33 top = 1

α13 Bottom = 95.10676 ; α23 Bottom = 7.433435 ; α33 Bottom = 1

αavg = √α( H.k ) ∗ α( H.k )

H.K D H.K B

α13 𝑎𝑣𝑔 = 232.76 ; α23 𝑎𝑣𝑔 = 13.357 ; α33 𝑎𝑣𝑔 = 1

6.4.12 Minimum Number of Plates:

𝑥 𝑥
ln (𝑥 𝐿𝐾 ) . ( 𝑥𝐻𝐾 )
𝐻𝐾 𝐷 𝐿𝐾 B
Nmin =
ln(α𝐿𝐾/𝐻𝐾 )
𝑎𝑣𝑔

N𝑚𝑖𝑛 = 5.8647
For saturated Liquid q=1
N
α x𝐷𝑖
1−q=∑
α−φ
i=1

6.4.13 Minimum Reflux:

N
α x𝐷𝑖
R 𝑚𝑖𝑛 + 1 = ∑
α−φ
i=1

R 𝑚𝑖𝑛 = 1.7174
6.4.14 Actual Reflux
R = 1.3R 𝑚𝑖𝑛
R = 1.3(1.7174) = 2.23
6.4.15 Actual number of stages
N − N𝑚𝑖𝑛 R − R 𝑚𝑖𝑛 0.566
= 0.75 [1 − ( ) ]
N+1 R+1

N = 12.33 ≈ 13

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Production of 100 MTPD of Oxirane.
6.4.16 Feed Position
N𝐷 B 𝑥𝐻𝐾 (x𝐿𝐾 )𝐵 2
log = 0.206 log [( ) ( )( ) ]
N𝐵 D 𝑥𝐿𝐾 (x𝐻𝐾 )𝐷
N𝐷
= 0.20244 ………………… 1
N𝐵
N𝐷 + N𝐵 = 13 ……………………2
Now Solving Equation 1 and 2 we get
N𝐵 = 10.8114 ≈11
And
N𝐷 = 2
So, the feed point is 11 plate from bottom.
6.4.17 Vapour & Liquid flow Rate in Distillation Column
[Link] Top Section
Ln
R=
D
Ln = R ∗ D
kmol
Ln = 2.23 ∗ 99.1926 = 221.4594
hr
Vn = Ln + D
kmol
Vn = 221.4594 + 99.1926 = 320.652
hr
[Link] Bottom Section
Lm = Ln + F
kmol
Lm = 221.4594 + 2184.8735 = 2406.333
hr
Vm = Lm − W
kmol
Vm = 2406.333 + 2085.6809 = 320.652
hr

6.4.18 Diameter of distillation column

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Production of 100 MTPD of Oxirane.
6.4.18.1Top section diameter calculations:
𝐕𝐧 = 𝟑𝟐𝟎. 𝟔𝟓𝟐 𝐤𝐦𝐨𝐥/𝐡𝐫
Table 6. 18 Top section composition and Vapour mass flow rates.

Components Top Molecular weight Mass flow Mass Density(gaese)

Composition Fraction
kg/kgmole rate(kg/hr) (Kg/m3)
CO2 0.0353557 44.05 498.82220 0.035577 7.082541

Oxirane 0.954126 44.01 13461.4654 0.960000 7.088978

Water 0.0105118 18.01528 60.67151 0.004327 2.899204
Total 1 14020.95913 1

ρv = 0.035577 ∗ 7.082541 + 0.96000 ∗ 7.088978 + 0.0041815 ∗ 2.899204

ρv = 7.0706kg/m3
ṁ 14020.95913 kg/hr m3
Vapour Volumetric flow = = = 0.55
ρ 7.0706kg/m3 ∗ 3600sec sec
𝐋𝐧 = 𝟐𝟐𝟏. 𝟒𝟓𝟗𝟒 𝐤𝐦𝐨𝐥/𝐡𝐫
Table 6. 19 Top section composition and Liquid mass flow rates

Components Top Molecular weight Mass flow Mass Density(Liquid)

Composition Fraction
kg/kgmole rate(kg/hr) (Kg/m3)
CO2 0.0353557 44.05 344.5133 0.03557 427.9309
Oxirane 0.954126 44.01 9297.2070 0.96009 336.6871
Water 0.0105118 18.01528 41.9030 0.00432 968.5726

Total 1 9672.2808

Ln = 221. 4594 kmol/hr

ρL = 0.03557 ∗ 427.9309 + 0.96009 ∗ 336.6871 + 0.00432 ∗ 968.5726
ρL = 342.6676 kg/m3
L 𝑤 ρv
f𝐿𝑉 = √
V𝑤 𝜌𝐿

9672.28085 7.0712
f𝐿𝑉 = √
14020.95913 342.6676
f𝐿𝑉 = 0.099
Plate Spacing= 0.45 m (Range 0.3-0.6)

100 | P a g e
Production of 100 MTPD of Oxirane.
From Figure

Figure 6. 9 Flooding velocity for sieve plates.

K1 = 0.078
𝜌𝐿 − 𝜌𝑉 342.6676 − 7.0706 m
u𝑓 = 𝐾1 √ = 0.078√ = 0.5374
𝜌𝑉 7.0706 s
Operating Velocity = 0.80 ∗ u𝑓
m
Operating Velocity = 0.80 ∗ 0.5374 = 0.43
s
ṁ𝑣𝑎𝑝 0.55
Net Area = An = = = 1.2813m2
Operationg Velocity 0.43
An 1.2813
Cross sectional Area = Ac = = = 1.6016m2
0.80 0.80
4 ∗ Ac 4 ∗ 1.6016
D𝑇𝑜𝑝 = √ =√ = 1. 43m
π π

[Link] Bottom section diameter calculations

Vm = 320.652 kmol/hr

Table 6. 20 Bottom section composition and Vapour mass flow rates

Components Bottom side Molecular Mass flow Mass Density(gases)

Composition weight rate Fraction
(Kg/m3)

101 | P a g e
Production of 100 MTPD of Oxirane.
 (kg/kgmole) (kg/hr)
CO2 0 44.05 0 0 6.350052

Oxirane 0.0000227 44.01 0.007279 0.0000555 6.355824

Water 0.999973 18.02 320.6433 0.9999445 2.599363
Total 1 5771.9001 1

ρv = 0 ∗ 6.350052 + 0.0000555 ∗ 6.355824 + 0.9999445 ∗ 2.599363

ρv = 2.59957kg/m3

ṁ 5771.9001 kg/hr m3
Vapour Volumetric flow = = = 0.61678
ρ 2.59957kg/m3 ∗ 3600sec sec

Lm = 2406.73 kmol/hr
Table 6. 21 Bottom section composition and Liquid mass flow rates

Components Bottom side Molecular Mass flow Mass Density(Liquid)

Composition weight rate Fraction (Kg/ m3)
(kg/kgmole) (kg/hr)
CO2 0 44.05 0 0 408.7527
Oxirane 0.0000227 44.01 2.4065 0.0000555 324.1924
Water 0.999973 18.01528 43356.9306 0.9999445 956.8115
Total 1 43315.2258 1

Lm = 2406.73 kmol/hr
ρL = 0 ∗ 408.7527 + 0.0000555 ∗ 324.1924 + 0.9999445 ∗ 956.7763
ρL = 956.7763 kg/m3

L 𝑤 ρv
f𝐿𝑉 = √
V𝑤 𝜌𝐿

43315.2258 2.59957
f𝐿𝑉 = √
5771.9001 956.7763

f𝐿𝑉 = 0.39
Plate Spacing= 0.45m (Range 0.3-0.6)
From Figure

102 | P a g e
Production of 100 MTPD of Oxirane.
 K1 = 0.05

𝜌𝐿 − 𝜌𝑉 956.7763 − 2.59957 m
u𝑓 = 𝐾1 √ = 0.05√ = 0.9579
𝜌𝑉 2.59957 s

Operating Velocity = 0.80 ∗ u𝑓

m
Operating Velocity = 0.80 ∗ 0.9579 = 0.7663
s
ṁ𝑣𝑎𝑝 0.61678
Net Area = An = = = 0.805 m2
Operationg Velocity 0.7663

An 0.805
Cross sectional Area = Ac = = = 1.006 m2
0.80 0.80

4 ∗ Ac 4 ∗ 1.006
D𝐵𝑜𝑡𝑡𝑜𝑚 = √ =√ = 1.13 m
π π

6.4.19 Standard Diameter

ID = 1. 504m OD = 1.5244 m

4 ∗ Ac
DDistillation = √
π

4 ∗ Ac
1.504 = √
π

Ac = 1.7757m2
As,
An = 0.8 ∗ Ac = 0.8 ∗ 1.7757 = 1. 4205m2
Ad = Ac − An = 1.7757 − 1.4205 = 0. 3551m2
Aa = Ac − 2Ad = 1.7757 − (2 ∗ 0.355) = 1. 065m2
6.4.20 Weir length:
Ac 1.7757
∗ 100 = ∗ 100 = 20
Ad 0.3551
From Figure 11.39
l𝑤
= 0.85
Dc
l𝑤 = 0.85 ∗ Dc = 0.85 ∗ 1.504

103 | P a g e
Production of 100 MTPD of Oxirane.
 l𝑤 = 1.2784 m

6.4.21 Weeping:
kg 1hr kg
Maximum liquid flowrate = 43359.337 ∗ = 12.04
hr 3600 s s
Turn down ratio = 0.7
kg kg
Minimum liquid flowrate = 0.7 ∗ 12.04 = 8.431
s s
L𝑤 2/3
h𝑜𝑤 = 750 ∗ [ ]
𝜌𝐿 l𝑤
Where,
L𝑤 = Maximum liquid flow rate.
𝜌𝐿 =Density of liquid.
l𝑤 =Weir length.
2/3
kg
12.04 s
Maximum how = 750 ( ) = 34. 4320 mm liquid
kg
956.7763 m ∗ 1.15 m

2/3
kg
8.431 s
Minimum how = 750 ( ) = 27.1411mm liquid
kg
956.7763 m ∗ 1.15 m

hw + how = 50 + 27.1411 = 77.1411 mm liquid

From figure

104 | P a g e
Production of 100 MTPD of Oxirane.
 Figure 6. 10 Weep-Point Correlation.

K 2 = 30.6
As,
K 2 − 0.90(25.4 − dℎ )
u𝑚𝑖𝑛 =
(ρV) 0.5
Where, u𝑚𝑖𝑛 = Minimum design Vapour velocity
dℎ = Dia of hole ( 5mm assumption )
So,
30.6 − 0.90(25.4 − 5) m
u𝑚𝑖𝑛 = = 7.6
(2.59957)0.5 s
6.4.22 Actual minimum vapors velocity
Minimum vapour rate
Actual minimum vapour velocity =
Area of hole
Trail – 1:
Area of hole = 10% of Active Area (Range 5% to 16%)
Area of hole = 0.10 ∗ 0.903 = 0.0903m2
SO,
0.7 ∗ 0.61678
v𝑎𝑐𝑡𝑢𝑎𝑙 = = 4.05 < vmin
0.1065
Trail – 2:
Area of hole = 5% of Active Area
Area of hole = 0.05 ∗ 1.06541 = 0.0533m2
SO,

105 | P a g e
Production of 100 MTPD of Oxirane.
 0.7 ∗ 0.61678
v𝑎𝑐𝑡𝑢𝑎𝑙 = = 8.105 > vmin
0.0533
6.4.23 Pressure Drop:
uh max. ρV
hd = 51
C0 ρL
Bottom Volumertric flow rate 0.61675 m
𝑢ℎ 𝑚𝑎𝑥. = = = 11.577
Area of hole 0.0533 s
For
Plate thicknes
=1
Hole Diameter

And
Aℎ 0.0533
∗ 100 = ∗ 100 = 5
A𝑎 1.065

From figure

Fig 6. 11 Discharge coefficient for sieve plate.

C0= 0.805

11.577 2 2.59957
hd = 51 ( 0.805 ) = 28.6633 mm liquid.
956.7763

Residual Head:

106 | P a g e
Production of 100 MTPD of Oxirane.
 12.5 ∗ 103 12.5 ∗ 103
Hr = = = 13.065 mm liquid
ρL 956.7763
Total Pressure drop
ht = hd + (hw + hwo) + hr
ht = 28.6633 + (50 + 27.1411) + 13.065 = 118.8691 mm liquid
[Link] Plate pressure drop
∆P𝑡 = 9.81 ∗ 103 htρL
kg
∆Pt = 9.81 ∗ 103 ∗ 118.8691 ∗ 956.7763
m3
∆P𝑡 = 1115.70 Pa
∆P𝑡 = 1.1157 kPa
6.4.24 Down comer liquid backup
hap = hw − 10 = 50 − 10 = 40 mm
Area Under Apron
Aap = lw ∗ hap = 1.2784 ∗ (40 ∗ 103 ) = 0.05114m2 < Ad
So we can use equation 11.60
lwd 2 12.04 2
hdc = 166 (ρLAap) = 166 (956.7763∗0.05114) = 10 mm liquid

hb = (hw + hwo) + ht + hdc

hb = (50 + 27.14116) + 118.87 + 10
hb = 206.0497mm liquid
1
hb < (Plate Spacing + Weir length)
2
1
206.14116mm < (0.45m + 1.352255)
2
206.14116mm < 0.90128m
0.20614m < 0.90128 m

6.4.25 Residence Time:

kg
Down comer Area ∗ hb ∗ ρ𝐿 0.35513m2 ∗ 0.20614m ∗ 956.7763 m3
Residence time = =
lwd kg
12.04 s

Residence time = 5.8189 s

107 | P a g e
Production of 100 MTPD of Oxirane.
6.4.26 Entrainment:
u𝑛 0.61678 m
u𝑣 = = = 0.6438
u𝑓 0.9579 s

%age flooding:
u𝑣 0.6438
%age flooding = ∗ 100 = ∗ 100 = 67.2121%
u𝑓 0.9579

As,
f𝐿𝑉 = 0.39

From Figure

Fig 6. 12 Entrainment correlation for sieve plate

Entrainment = ψ = 0.0028 < 0.1

6.4.27 Perforated Area:

Weir length l𝑤 1.2784
= = = 0.8
COlumn dia Dc 1.504
From figure

108 | P a g e
Production of 100 MTPD of Oxirane.
 Fig 6. 13 Relation between angle subtended by chord.

θ = 120°
So,
Angle subtended by the edge of plateθ = 180° − 120° = 60°
Unperforated edge strip length and Calming zone width = 50mm
60°
Mean length, unperforated edge strip = 1.504 − 50 ∗ 10−3 )π ∗
180°
= 1.5218 m
So,
Area of unperforated edge strip = Length ∗ Width = 1.5218 ∗ 50 ∗ 10−3
= 0.0752m2
Mean length, Calming zone = Weir length + Width of Calming zone
Mean length, Calming zone = 1. 2784m + 50 ∗ 10−3 = 1. 3284m
Area of Calming zone = 2(1. .3284m ∗ 50 ∗ 10−3 ) = 0.1328 m2
Total Area of Perforation
= Active Area − Area of unperforated edge strip − Area of calming zone
Total Area of Perforation = A𝑃 = 1.06541m2 − 0.0752m2 − 0.1328m2 = 0.85737m2
Aℎ 0.0533
= = 0.062
A𝑃 0.85737
l𝑝
= 3.5
dℎ
π 2 π
Area of one hole = 𝐷 = (5 ∗ 10−3 ) 𝑚2 = 1.964 ∗ 10−5 𝑚2
4 4
109 | P a g e
Production of 100 MTPD of Oxirane.
 Aℎ 0.0533
Number of holes = = = 2712 holes.
Area of one hole 1.964 ∗ 10−5

6.4.28 Height of Distillation column:

μ𝐿
Efficiency = 0.17 − 0.616 log10 ∑ (x𝑓 ( ))
μ𝑤

x𝑓 = Mole fraction of component in feed

μ𝐿 = Average liquid Viscosity at mean tower temp = 0.2576mPa. s

μ𝑤 = Viscosity of Water at 293K (Approx. 1 mpa. s)
SO
Efficiency = 53.29% (Range 30% to 80%)
13
Real No. of Plates = = 24.4 ≈ 25
53.29
Height of Distillation Column = Ht = (Na − 1)Hs + ∆H
H𝑡 = (Na − 1)H𝑠 + 0.15H𝑡
H𝑡 = (25 − 1)0.45 + 0.15H𝑡
H𝑡 = 12.71m

6.4.29 L/D Ratio:

L Lenght 12.71
= = = 8.45
D Diameter 1.504

Specification Sheet:
Table 6. 22 Specification Sheet of Distillation Column

Specification sheet
Identification
Item Distillation
No. required 1
Tray type Sieve Tray
Operation Continuous
Function
110 | P a g e
Production of 100 MTPD of Oxirane.
 Separation of Oxirane from Water
Material Handled
Parameters Feed Top Bottom
Quantity 2184.8735kmol/hr. 99.1925kmol/hr. 2085.6336kmol/hr.
Composition of Oxirane 0.043339 0.954126 2.27E-05
Temperature 21⁰C -33.34⁰C 100⁰C
Design Data
Number of trays 13
Pressure 5 bar
Height of Column m
Diameter of Column 1.35255m
Reflux ratio 2.23
Tray Spacing 0.45 m
Flooding Velocity 12.9 m/s
Material of Construction Stainless Steel

6.5 References:

 Chemical Engineering design Ray Sinnott & Gavin Towler Page.735

 Plant design and Economics by [Link], [Link] & [Link] (5thedition) Page.771
 Locating and estimating air emissions from sources of ethylene oxideU.S. Environmental
Protection Agency Office of Air and Radiation Office of Air Quality Planning and Standards
Research Triangle Park, North Carolina 27711
 D.Q kern (1950) Process heat transfer . UK: McGraw-Hill.
 Kirk-Othmer.(1967) Encylopedia of chemical [Link].2. . Chicago: interscience
publisher.
 Levenspiel, O.(1998).Chemical reaction [Link]: Wiley
 Perry,R.(2007). Chemical Engineers handbook. Europe: McGraw-Hill.
 Sila,H.(2013). Chemical process Engineering Economics and design. USA : Marchel Dekker
 Thakkor, S.B. (2011) Introduction to Process Engineering and Design. New Dehli :
McGraw-Hill
 Timmerhause,K.(2002). Plant Design and Economics for chemical Engineers. Europe:
McGraw-Hill education.
 Towler, R.K. (2015) Chemical Engineering Design. Chicago: R k sinnott.
 Richard Turton.(2012). Analysis Synthesis and Design of Chemical Process. Europe : Prentic
Hall.
 Perry Encyclopedia of Chemical Engineering 3rd edition.
 Coulson & Richardson volme-2.
 Principle of Mass Transfer and Separation Processes by Binay [Link].261
 [Link]

111 | P a g e
Production of 100 MTPD of Oxirane.
 112 | P a g e
Production of 100 MTPD of Oxirane.
 Chapter # 07
Cost Estimation

Cost Estimation
7.1 Introduction
This chapter will cover the information about the total manufacturing non-manufacturing
total fixed cost and operational cost.

113 | P a g e
Production of 100 MTPD of Oxirane.
7.2 Capital Investment
The estimation of Total Capital Investment and Total Product Cost of the project are
determined by using the methods suggested by Peters and Timmerhaus. Equipment purchasing
amount are determined by using method by Warren D. Seider, J. D Seader and Daniel R. Lewin.
The capital needed to supply the required manufacturing and plant facilities is called fixed
capital investment (FCI) while that necessary for the operation of plant is termed the working
capital (WC). Start-up Cost (SC) is the cost required at first once the process of the plant is
started. Thus the sum of the fixed capital investment, working capital start-up cost is known as
the total capital investment (TCI). Furthermore, cash flow and discounted cash flow are also
constructed in determining the Pay-Back Period as well as Net Present Value for the project.
Fixed capital investment can be divided into two that are manufacturing fixed capital
investment (direct cost) and nonmanufacturing fixed capital investment (indirect cost).
Basically, FCI depends on the total equipment’s cost available in the plant multiply with a
factor that varies according to what type of cost it represents. Meanwhile, working capital is
the additional investment needed, over and above the fixed capital.

The calculation made follows the Douglas’s approach method.

• The interest rate for plant operation is 10% per annum.

• Project life-cycle will be 15 years.

• Plant operates at normal annual operation period which is 330 day.

7.3 Working Capital Investment
The capital which is necessary for the operation of the plant is termed as the working capital
investment. The raw-materials inventory included in working capital usually amounts to a l-
month supply of the raw materials valued at delivered prices. Finished products in stock and
semi-finished products have a value approximately equal to the total manufacturing cost for 1
month’s production. The working capital for an industrial plant consists of the total amount of
money invested in.

1) Raw materials and supplies carried in stock,

2) Finished products in stock and semi-finished products in the process of being
manufactured,
3) Accounts receivable,

114 | P a g e
Production of 100 MTPD of Oxirane.
 4) Cash kept on hand for monthly payment of operating expenses, such as salaries, wages,
and raw-material purchases,
5) Accounts payable,
6) Taxes

7.4 Fixed-Capital Investment

Manufacturing fixed-capital investment represents the capital necessary for the installed
process equipment with all auxiliaries that are needed for complete process operation. Expenses
for piping, instruments, insulation, foundations, and site preparation are typical examples of
costs included in the manufacturing fixed-capital investment.

7.5 Methods for Estimating Capital Investment

Various methods can be employed for estimating capital investment. The choice of any one
method depends on the foil owing-factors,

1) Amount of detailed information available.

2) Accuracy desired.

Seven methods estimated capital investment are outlined.

1) Detailed item estimate.

2) Unit-cost estimate.
3) Percentage of delivered-equipment cost.
4) “Lang” factors for approximation of capital investment.
5) Power factor applied to plant-capacity ratio.
6) Investment cost per unit of capacity.
7) Turnover ratios.

Greater accuracy of capital investment estimates can be achieved in this method by using not
one but a number of factors. One approach is to use different factors for different types of
equipment. Another approach is to use separate factors for erection of equipment, foundations,
utilities, piping, etc. This technique, proposed originally by Lang and used quite frequently to
obtain order-of-magnitude cost estimates, recognizes that the cost of a process plant may be
obtained by multiplying the basic equipment cost by some factor to approximate the capital
investment. These factors vary depending upon the type of process plant being considered.
These values, therefore, may be combined to give Lang multiplication factors that can be used

115 | P a g e
Production of 100 MTPD of Oxirane.
for estimating the total direct plant cost, the fixed-capital investment, or the total capital
investment.

7.6 Total Equipment Cost (TEC)

Capital cost estimate for chemical process plants can be based on purchase cost estimation of
major equipment’s items. The equipment’s cost will be used along with factor for estimating
other relevant cost.

116 | P a g e
Production of 100 MTPD of Oxirane.
Cost Estimation

7.6.1 Cost Estimation of Reactor

Purchased cost = Bare cost from figure time base (2004) * material factor * pressure factor

Diameter = 3.5m

Height = 2.2m

For stainless steel

Material factor = 2

Pressure factor = 1.4

Purchased cost in (2004) = $90000

Index in (2002) = 390.4

Index in 2019 is 4.6% higher than 2002 = 390.4 * 0.046

=17.95

Index in 2019 = 390.4 + 17.90

= 408.3

Cost of reactor in 2019 = original cost * (index in 2019/index in 2002)

=$94228.2

7.6.2 Cost Estimation of Absorber

Purchased cost = Bare cost from figure time base (2004) * material factor * pressure factor

Diameter = 1.46

Vessel height = 11.2

For

Material factor = 2

Pressure factor = 1.2

Purchased cost in (2002) = $70000

Index in 2018 = 390.4

111 | P a g e
Production of 100 MTPD of Oxirane.
Index in 2019 is 4.6% higher than 2018 = 390.4 * 0.046 = 17.95

Cost of Absorber in 2019 = original cost * (index in 2019/1ndex in 2004)

= $73230.765

7.6.3 Cost Estimation of Heat Exchanger

Purchased cost = Bare cost from figure time base (2004) * material factor * pressure factor

Area = 65 sq. meter

For carbon steel

Material factor = 1

Pressure factor = 1

Purchased cost in (2004) = $9000

Index in 2018 = 536.4

Index in 2019 is 4.6% higher than 2018 = 536.4 * 0.046

= 24.67

Index in 2019 = 536.4 + 24.67

= 561.07

Present cost = Original cost * (index at present/index at original)

Original cost = $13000

Index at present = 561.07

Index at original = 356

Present cost of Heat Exchanger = $20486

7.6.4 Cost Estimation of Pump

The cost of single stage centrifugal pump can be estimated from the following graph:

Purchased cost in (2004) = Bare cost from graph * material factor * pressure factor

= $8250

112 | P a g e
Production of 100 MTPD of Oxirane.
Index in 2018 = 536.4

Index in 2019 is 4.6% higher than 2018 = 536.4 * 0.046

= 24.67

Index in 2019 = 536.4 + 24.67

= 561.07

Cost of pump in 2019 = original cost * (index in 2019/index in 2004)

= $10395

7.6.5 Cost Estimation of Compressor

Purchased cost = Bare cost from figure time base (2004) * material factor * pressure factor

Mass flow rate = 6 /sec

For

Material factor = 2

Pressure factor = 1

Purchased cost in (2004) = $45000

INDEX IN 2018 = 536.4

INDEX IN 2019 IS 4.6%Higher than 2018 = 536.4 * 0.046

= 24.67

Index in 2019 = 536.4 + 24.67

= 561.07

Cost of compressor in 2019 = original cost * (index in 2018/index in 2004)

= $56800

7.6.6 Distillation Tower T-101

H = 12.71m

a = 25000

113 | P a g e
Production of 100 MTPD of Oxirane.
b = 440

n = 1.8

Cost ($) = a + b * (H) n

Cost ($) = $40,369.2

The cost of the other Distillation Tower T-102 is also calculated with the same procedure as
done for this Distillation Tower T-101.

Distillation Tower T-102

Cost for T − 102($) = $ 76,403.72

7.6.7Mixing Vessel V-101

a = 130
b = 440

n = 1.8
h = height of the colum in m
h = 2.3631 m

𝐶𝑜𝑠𝑡($) = 𝑎 + 𝑏(ℎ)𝑛

Cost($) = $ 6,200

Table 7. 1 Equipment Cost

Name of Number of Cost of 1 Total cost ($)

equipment equipment equipment ($)

Reactor 1 94228.2 94228.2

Heat exchanger 2 20486.3 40972.6

Distillation 1 86403.72 86403.72

Absorber 1 73230.665 73230.665

Compressor 4 58800.532 235202.128

Pump 2 10395 20790.45

114 | P a g e
Production of 100 MTPD of Oxirane.
 Mixer 1 $ 6,200 $ 6,200

Equipment cost = $557027.76322% of fixed capital investment = equipment cost

Hence

Fixed capital investment = $2531944.378

7.7 Direct cost

Equipment cost = 22% of FCI = $557027.76322

Installation cost = 8% of FCI = $202555.55

Instrumentation cost = 5% of FCI = $126597.22

Piping cost = 8% of FCI = $ 202555.55

Electrical system = 4.5% of FCI = $113937.5

Building cost = 8% of FCI = $202555.55

Yard improvement = 3% of FCI = $75958.33

Service facility = 15% 0f FCI = $379791.66

Land = 1.5% of FCI = $37979.2

7.8 Indirect cost

Engineering and supervision = 9% of FCI = $227874.99

Legal expenses = 7% of FCI = $177236.11

Construction cost = 1.5% of FCI = $37979.2

Contractors fee = 2.5% of FCI = $63298.61

Contingency = 6% of FCI = $151916.66

Fixed capital investment = $ 2531944.378

115 | P a g e
Production of 100 MTPD of Oxirane.
7.9 Working Capital Investment
15% of FCI = $379791.656

Total capital investment = fixed capital investment + working capital investment

TCI=$2911736.034

7.9.1Total product cost

Assume that FCI depreciate by straight line method for 15 years assuming 5% of salvage
value at the end of plant life

Depreciation = D = (v-vs)/N

V = FCI = $2531944.378

Vs = 0.05 * 2531944.378 = $126597.2189

N = No. of years = 15

D = $160356.4773

7.9.2 Product cost = TCI – D

= $2751379.557

Fixed charges =12% of PC = $330165.5468

Direction production cost = 55% of PC = $1513258.756

Plant overhead =10% of PC = $275137.9557

Total manufacturing cost = Fixed charges + direct production cost + plant overhead

= $2118562.259

7.9.3 Raw material cost

20% off product cost

= (0.20*2751379.557)

= $550275.9114

Admin cost 5% of PC $137568.9779

Distribution and selling cost 18% of PC $495248.3203

116 | P a g e
Production of 100 MTPD of Oxirane.
Research and development cost 5% of PC $137568.9779

Financing 6% of PC $165082.277

General expenses = $935468.5531

Total product cost = M.C. + G.E.

=$3054030.812

Net profit

Gross earning/income

Wholesale price of Ethylene Oxide per ton = $2870

Total income = selling price * quantity of product manufacture

= $287000

Total income per year = $1.04*108

Gross income = total income – total product cost

Gross income =$102003620.4

Let the tax rate is 30%

Taxes = 0.30(gross income)

=$30601086.13

Net profit = gross income – taxes

=$71402534.27/yr

7.10 Rate of return

Rate of return = (net profit) / total investment

= (71402534.27)/ $2911736.034

= 28.75%

7.11 Payback period

= 1/ ROR

= 4.10 years
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 Chapter # 8
Piping & instrumentation diagram

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8.1 P & ID:
Piping and instrumentation diagram (P&ID) is a detailed diagram in the process industry
which shows the piping and process equipment together with the instrumentation and control
devices

8.2 Instrument:

A measuring device used to gauge the level, position, speed, etc. of something

8.3 Advantages of use of Instruments:

 Process control instrumentation ensures consistency

 It reduces labor costs
 Process control instrumentation improves quality

8.4 Instrumentation around Distillation Column:

The control system in the distillation column is important in order to have a sharp separation
between the components in the incoming feed. The control system of distillation column is
controlled based on three purposes:
1. Overhead Composition.
2. Bottom Composition.
3. Temperature Control.
4. Pressure Control.
5. Product Quality Control.

8.5 Composition Control:

Although the plant is usually designed for a nominal production rate, a design tolerance is
always incorporated because the market condition and demand may require an increase or
decrease from the current state. The control system is then needed to ensure a smooth and safer
transition from the old production level to the newly desired production level. Overall product
composition is fixed and any change in feed composition will not alter the composition of
overheads and bottoms.

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8.6 Control of Process Parameters:

For process safety and satisfactory operation of distillation column following constraints and
parameters should be considered:
 The column shall not flood.
 Column pressure drop should be low enough to maintain the efficiency of the column
operation in order to prevent serious weeping or dumping.
 The temperature difference in the reboiler should not exceed the critical temperature
difference.
 Avoid shock loading to the column so that overload of reboiler or condenser heat-
transfer capacity can be avoided.
 Column pressure should not exceed a maximum permissible limit.

8.7 Control Loop around Distillation Column:

Figure 8. 1 Piping and Instrumentation diagram of Distillation Column.

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8.8 Description:

In this process and instrumentation diagram ther are two feedback controller are installed and
one feed forword.
 The feed forward controller is use for the control of temperature of overall column or
use to maintain the vapour temperature in the distillation column. In this type
temperature sensor in distillation column senses the temperature and gives
information to the “Temperature Transmitter” (TT). It transmits the given information
to the “Temperature Controller” (TC) wher e we have given a command of desired
temperature set point. Temperature controller compare the information of given set
point and the information transmitted by the temperature transmitter to the
temperature controller and generate the results. Then the results are forwarded to the
solenoid valve which controls the flow rate of the steam (FC) with which we are using
as a heating medium in the re-boiler.
 One feedback controller is installed at the top where the liquid of the vessel is
maintained after the condenser. This controller works as, the level sensor installed in
the vessel read the level of the liquid in the tank and send information to the “Level
transmitter” (LT). It transmits the received information to the “ Level Controller”
(LC) where we have give the upper and lower limits of the level of liquid. It compares
the informations and generate signals to overcome the fault generated. And this
information is then send to the flow controller to the solenoid valves. If the level
increased then it opens the valve to allow more flow rate to flow and if the level is
decreased then it partially closes the valve to get the minimum flow.
 Similarly. the other feedback controller is used to maintain the bottoms level in the
distillation column
 The composition of the vapours in the distillation column is maintained with the help
of reflux.

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8.9 Temperature Control:

Table 8. 1 Temperature Controller Details

Process Distillation

Controller PID Controller

Controlled Variable Temperature (At bottom of Distillation Column)

Manipulating Variable Steam flow rate

Measuring Element Thermocouple

Final Control Element Valve

Set point 151.4℃

8.10 Level Control:

Table 8. 2 Level Controller Details

Process Distillation

Controller PID Controller

Controlled Variable Liquid Level at the bottom

Manipulating Variable Bottom product flow rate

Measuring Element Magnetic Level Sensor

Final Control Element Valve (Bottom Product)

Load Variable Feed flow rate or feed temperature, change in

the ratio of gas to liquid, valve characteristics

Composition Control:

Table 8. 3 Composition Controller Details

Process Distillation

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Controller PID Controller

Controlled Variable Distillate Composition

Manipulating Variable Reflux Ratio

Measuring Element Composition Analyser

Final Control Element Reflux Valve

References:

 Chemical process equipment, selection and design by couper Penney fair walas
 Process systems Analysis and Control 2nd edition by Donald R. Coughnowr.

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 Chapter # 09
HAZOP and EIA Study

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9.1 HAZOP Study
Hazard and Operability (HAZOP) study is one of the most common and widely accepted
methods of systematic qualitative hazard analysis. It is used for both new and existed facilities
and can be applied to whole plant, production unit or a piece of equipment. HAZOP is
investigation of how the system or plant deviate from design parameters and create a risk for
plant personnel and equipment.

HAZOP study is one of the most common and widely accepted method of systematic
qualitative hazard analysis. HAZOP study is a process or operation in an organized way to
determine whether changes from the design or operational intent can lead to undesirable results.
This method can be used for continuous or batch processes and can be adopted to evaluate
written procedures. The HAZOP team lists potential causes and results of the deviation as well
as existing safeguards protection against the deviation. When the team determines that it
usually recommends the action be taken to reduce the risk.

9.1.1 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. Hazard and operability study sometimes
simply referred to as operability Studies, provide a systematic and critical examination of the
operability of a process. They indicate potential hazards due to deviations from the intended
design conditions.

9.1.2 Concept of HAZOP

The HAZOP study takes a full description of the process, systematically questions every part
of it to discover how deviation from the design intent can occur and decides whether these
deviations can give rise to hazards. The questioning is focused in turn on every part of the
design. Each design is subjected to a number of changes formulated around a set of guide-
words. Having examined one part of the design and recorded any potential hazards associated

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with it, the study progresses to focus on the next part of the design. The examination is repeated
until the whole process or section intended to study.

9.2 The HAZOP Study Process

There are four basic steps to the process:

• Forming a HAZOP team

• Identifying the elements of the system

• Considering possible variations in operating parameters

• Identifying any hazards or failure points

9.3 Advantages of HAZOP

Advantages:

 Easy to learn.
 Stimulates Creativity and generates ideas.
 Systematic and through procedure.
 Participants gain valuable knowledge of process.
 Readily acceptable to regulatory authorities.

Once the four steps have been completed, the resulting information can lead to improvements
in the system. The best way to apply the results of a HAZOP study will depend on the nature
of the system.

9.4 Objective of Carrying out a HAZOP Study

 To check a design

 To decide whether and where to build

 To decide whether to buy a piece of equipment

 To obtain a list of questions to put to a supplier

 To check running instructions

 To improve the safety of existing facilities

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9.5 HAZOP Guide Words and Meaning

HAZOP Guide Words and Meaning

These guide words are applied to flow, temperature, pressure, liquid level,
composition, and any other variable affecting the process. The consequences of these
deviations on the process are then assessed, and the measures needed to detect and
correct the deviations are established.

Table 9.1 HAZOP Study of Reactor

Table 9. 1 HAZOP guide words

Guide Meanings
words
No Nothing else occur

Less Quantitative decrease

More Quantitative increase

Part of Qualitative decrease

As well as Qualitative increase

Reverse Opposite complete

Other than Complete substitution

Since a majority of the chemical process industry now uses some version of HAZOP for all
new facilities and selectively uses it on existing ones, an example of this technique. Hazard
assessment is a vital tool in loss prevention throughout the life of the facility. The major hazards
usually include toxicity, fire, and explosions; however, thermal radiation, noise, asphyxiation,
and various environmental concerns also need to be considered.

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9.6 HAZOP Study Flowchart

Figure 9. 1 Assessment of HAZOP

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9.7 HAZOP Study of Reactor
Table 9. 2 HAZOP Analysis of reactor.

Parameter Guide Possible Possible Causes Action

Word Consequences

No reaction Inlet valve is fully Install Flow

No product closed meter Routine
No
Flow Blockage inspection

Pipe rupture
Uncontrolled Reaction Excess O-xylene Install FICA
Excessive heat Process Excess air Install dry
More
disturbed air control
valve
Low quality product Pipe leakage Install FICA
Valve partially Routine
Less
closed Inspect
Uncontrolled reaction More pressure Install TIA
By products
More
Temperature May cause explosion
Low quality product Pipe leakage Install FICA
Valve partially Routine
Less closed Inspect
High pumping speed Valve failure Install PIA
Over pressure Explosion Install safety
More
Pressure valve
Less Not favorable reaction Compressor Install
Low quality product failure safety
Valve

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9.8Environmental Impact assessment (EIA)

9.8.1 Introduction
Environmental impact assessment (EIA) is the assessment of the environmental
consequences (positive and negative) of a plan, policy, program, or actual projects prior to the
decision to move forward with the proposed action. In this context, the term "environmental
impact assessment" (EIA) is usually used when applied to actual projects by individuals or
companies and the term "strategic environmental assessment" (SEA) applies to policies, plans
and programs most often proposed by organs of state. Environmental assessments may be
governed by rules of administrative procedure regarding public participation and
documentation of decision making, and may be subject to judicial review.

The purpose of the assessment is to ensure that decision makers consider the environmental
impacts when deciding whether or not to proceed with a project. The International Association
for Impact Assessment (IAIA) defines an environmental impact assessment as "the process of
identifying, predicting, evaluating and mitigating the biophysical, social, and other relevant
effects of development proposals prior to major decisions being taken and commitments
made".EIAs are unique in that they do not require adherence to a predetermined environmental
outcome, but rather they require decision makers to account for environmental values in their
decisions and to justify those decisions in light of detailed environmental studies and public
comments on the potential environmental impacts.

9.8.2 History
Environmental impact assessments commenced in the 1960s, as part of
increasing environmental awareness. EIAs involved a technical evaluation intended to
contribute to more objective decision making. In the United States, environmental impact
assessments obtained formal status in 1969, with enactment of the National Environmental
Policy Act. EIAs have been used increasingly around the world. The number of
"Environmental Assessments" filed every year "has vastly overtaken the number of more
rigorous Environmental Impact Statements (EIS)." An Environmental Assessment is a "mini-
EIS designed to provide sufficient information to allow the agency to decide whether the
preparation of a full-blown Environmental Impact Statement (EIS) is necessary." EIA is an
activity that is done to find out the impact that would be done before development will occur.

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This includes four main operations;

 Scope
 identification
 Prediction
 evaluation

9.8.3Scope and objectives of EIA

 To determine the project and associated work together
 To identify and describe the element of community and environment affected
by the project
 To identify and quantify the emission rate and effect on receiver
 to recognize the environmental impacts associated with the project
 To study the existing land scape
 to study environmental disturbance and nuisance during construction and
operation
 To identify , predict and evaluate residual
 To identify the extent of side reaction

9.8.4Identification of impact

 Identification of impact on environment is studied by use of network method

which include step wise study of relationship between activity and its
environmental parameters
 Basic idea is to account the project activity and identify the impact that could
initially accord followed by identification of secondary and tertiary impacts
 Primary and secondary impact
 Prediction and assessment of impact
 Impact can be defined as a physical, biological , chemical economical or socio-
chemical change which occur on environment due to project activity
 Impact methodology provides an organized approach for prediction and
assessing these impacts

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9.8.5Hazard Summary
The major use for ethylene oxide is as a chemical intermediate in industry. The acute (short-
term) effects of ethylene oxide in humans consist mainly of central nervous system (CNS)
depression and irritation of the eyes and mucous membranes. Chronic (long-term) exposure to
ethylene oxide in humans can cause irritation of the eyes, skin, and mucous membranes, and
problems in the functioning of the brain and nerves. Some human cancer data show an increase
in the incidence of leukemia, stomach cancer, cancer of the pancreas, and Hodgkin's disease in
workers exposed to ethylene oxide. However these data are considered to be limited and
inconclusive due to uncertainties in the studies. EPA has classified ethylene oxide as a Group
B1, probable human carcinogen.

9.8.6 Sources and Potential Exposure

Sources of ethylene oxide emissions into the air include uncontrolled emissions or venting with
other gases in industrial settings. Other sources of ethylene oxide air emissions include
automobile exhaust and its release from commodity fumigated materials, as well as its use as
a sterilizer of medical equipment.

The general population may be exposed to ethylene oxide through breathing contaminated air
or from smoking tobacco or being in the proximity to someone who is smoking. Certain
occupational groups (e.g., workers in ethylene oxide manufacture or processing plants,
sterilization technicians, and workers involved in fumigation) may be exposed in the
workplace.

9.8.7 Assessing Personal Exposure

There are tests currently available to determine personal exposure to ethylene oxide, such as
the determination of ethylene oxide in the blood or the amount breathed out of the lungs.

9.8.8Health Hazard Information

Acute Effects:

Acute inhalation exposure of workers to high levels of ethylene oxide has resulted in nausea;
vomiting, acute inhalation exposure of workers to high levels of ethylene oxide has resulted in
nausea, vomiting, neurological disorders, bronchitis, pulmonary edema, and emphysema at
high concentrations.

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Dermal or ocular contact with solutions of ethylene oxide has caused irritation of the eyes and
skin in humans.

Tests involving acute exposure of animals have shown ethylene oxide to have high acute
toxicity from oral and inhalation exposures.

Chronic Effects (Noncancerous):

Major effects observed in workers exposed to ethylene oxide at low levels for several years are
irritation of the eyes, skin, and mucous membranes and problems in the functioning of the brain
and nerves.

There is evidence suggesting that long-term exposure to high levels of ethylene oxide, at a level
of 700 parts per million (ppm), can result in cataracts in humans.

EPA has not established a Reference Dose (RfD) or a Reference Concentration (RfC) for
ethylene oxide. The California Environmental Protection Agency (CalEPA) has stab 3 ished a
chronic reference exposure level of 0.005 milligrams per cubic meter (mg/m ) for ethylene
oxide based on hematological effects in humans. The CalEPA reference exposure level is a
concentration at or below which adverse health effects are not likely to occur. It is not a direct
estimator of risk, but rather a reference point to gauge the potential effects. At lifetime
exposures increasingly greater than the reference exposure level, the potential for adverse
health effects increases.

ATSDR has an established an intermediate inhalation minimal risk level (MRL) of 0.2 mg/m
3 (0.09 ppm) based on respiratory effects in humans. The MRL is an estimate of the daily
human exposure to a hazardous substance that is likely to be without appreciable risk of adverse
non-cancer health effects over a specified duration of exposure.

Reproductive/Developmental Effects:

Some evidence exists indicating that inhalation exposure to ethylene oxide can cause an
increased rate of miscarriages in female workers. These effects could be seen from acute, as
well as chronic, exposure.

Various adverse reproductive effects have been noted in inhalation exposure studies of animals
including decreased number of implantation sites, decreased testicular weights and sperm
concentration, and testicular degeneration.

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Cancer Risk:

Human occupational studies have shown elevated cases of leukemia, stomach and pancreatic
cancer, and Hodgkin's disease in workers exposed to ethylene oxide by inhalation. However,
the data are considered to be limited and inconclusive due to the small number of individuals
studied and uncertainties about the exposure levels. Animal studies have shown lung, gland,
and uterine tumors caused by inhalation exposure to ethylene oxide. EPA considers ethylene
oxide to be a probable human carcinogen and has ranked it in EPA's Group B1. This
classification has had some form of Agency review, but does not appear on IRIS.

EPA uses mathematical models, based on human and animal studies, to estimate the probability
of a person developing cancer from breathing air containing a specified concentration of a
-4
chemical. EPA has calculated a provisional inhalation unit cancer risk estimate of 1.0 × 10
(µg/m3)-1 . A provisional value is one that has not received Agency-wide review. EPA has
calculated a provisional oral cancer slope factor of 1.0 (mg/kg/d) -1 .

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 Chapter # 10
Process Modeling and Simulation

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10.1 Process Simulation
This chapter will describe the process modeling. The description will include facts from model
selection and modification of compounds and models. A step by step explanation of the
modeling simulation will also be part of this chapter.

10.2 Simulation software

Today there are several computer-aid process simulation tools active on the market and
common in a process engineer’s daily work equipment. A number of process software’s exist
on the market today where Chemcad, HYSYS and Aspen Plus are some of the major players
on the market.

10.3 Definition of the problem

The aim with this process simulation was to establish an ASPEN PLUS® model of the ethylene
oxide reactor. The simulation was carried out as a steady-state simulation. Three various
operating conditions were studied, start of run, middle of run (after 12 months) and end of run
(after 24 months). The simulation should correlate with the real plant so that different
operational scenarios shall be consistent with reality. When a simulation that correlates with
reality have been found it will be used to investigate future changes of catalyst type.

10.4 Comparison between Equation of state and Activity coefficient model

Table 10. 1 Suitable Model Selection

Equation of State Model Activity Coefficient Model

Good for vapor phase modeling and liquid of Good for liquid phase modeling only
low polarity

Limited in ability to represent non-ideal Can represent highly non-ideal liquid

liquids

Fewer binary parameters required Many binary parameters required

Consistent in critical region Inconsistent in critical region

Examples: Examples:
• Peng-Robins (PENG-ROB) • NRTL
• Soave-Redlich Kwong (RK-SOAVE) • UNIFAC

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10.5 Reactor Simulation
Steps:
 Add components from list
 Generate new hypo group for Oxirane
 Apply fluid package
 Add reaction Set
 Open Simulation environment
 Specify feed composition,temperature,pressure and vapor phase fraction
 Specify outlet temperature
 Rate the heat exchanger i.e. length of tube, number of tubes , void fraction
 Match result.

10.5.1 Add components

Figure 10. 1 Components Addition in software

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10.5.2 Apply Fluid Package

Figure 10. 2 Applying Fluid package

Figure 10. 2 Apply fluid package

a
10.5.3 Add reaction set

Figure 10. 3 Add conversion reaction set

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10.5.4 Simulation environment

Figure 10. 3 Simulation Environment

10.5.5 Work Sheet

Figure 10. 4 Results Worksheet

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