Completed Report Benzene Production

SKTK 4153
PLANT DESIGN
SEMESTER 1, SESSION 2020/2021
GROUP PROJECT
PRODUCTION OF 100,000 MT PER ANNUM OF BENZENE
PREPARED FOR
DR ZARINA BINTI AB MUIS
PREPARED BY
GROUP 3
ALIF AZLI BIN AZLAN CHOONG (A17KT0017)

MOHAMAD AFZAL HAZIQ BIN SARBINI (A17KT0123)
MUHAMMAD HAKIMI BIN SAWAL (A17KT0173)
MUHAMMAD HAYQAL BIN OMAR (A17KT0174)
NAZMI BIN MOHAMED (B18KT0002)
DATE OF SUBMISSION
31st JANUARY 2021
ABSTRACT
The purpose of this study was to identify the project and site selection as well as to
propose the design work of a chemical plant. The product selected for this chemical plant was
benzene. Then, the commercial process flow diagram was obtained by considering the benzene
as major product. In order to know the market of the benzene, the market survey of the product
was performed based on the global and local market outlook, market price and the demand for
the benzene product. The process screening based on gross profit was performed to look out
the best possible pathways for the reaction to produce the benzene. The selection for the site of
this chemical plant was considering a lot of factors that can gain the profit to the company.
Several comparisons on site selection were made to choose it precisely. Using ASPEN HYSIS
simulator, simulation on the plant mass and energy was done to test the validity for the design
of the plant. The comparison between manual and simulation results were presented. The
difference was critically analysed, and the justification is clearly given. A heat exchanger
network had been proposed to reduce the heating and cooling utilities of the plant and the
process optimization was performed too to maximize profit and increase the yield. Equipment
sizing and costing for all the equipment and unit operations in the final process flow diagram
was performed and the total capital investment needed for the plant was estimated using
Chemical Engineering Index of 500. Overall, the total capital investment for the plant was
estimated to be around USD 232 million.
TABLE OF CONTENTS
ABSTRACT ................................................................................................................................
CHAPTER 1 PRODUCT SELECTION ................................................................................ 1

1.1 CHEMICAL PRODUCT BAKGROUND .............................................................. 1
1.1.1 BENZENE PRODUCTION................................................................................. 2
1.1.2 APPLICATION OF BENZENE .......................................................................... 2
1.2 MARKET ANALYSIS............................................................................................ 4
1.2.1 WORLD AND LOCAL DEMAND .................................................................... 4
1.2.2 CURRENT SUPPLY AND COMPETITORS..................................................... 7
1.2.3 CURRENT MARKET PRICE OF BENZENE ................................................... 9
1.3 PROCESS SCREENING ...................................................................................... 11
1.3.1 PROCESS SELECTION ................................................................................... 11
1.3.2 MARKET PRICE OF RAW MATERIAL, BY-PRODUCT AND PRODUCT17
1.3.3 GROSS PROFIT CALCULATION .................................................................. 18
1.3.4 FACTOR TO CONSIDERS .............................................................................. 20
1.3.5 OVERALL MATRIX FOR PROCESS SELECTION ...................................... 22
1.4 SITE SELECTION ................................................................................................ 23
1.4.1 FACTOR OF SITE SELECTION ..................................................................... 23
1.4.2 SUGGESTED LOCATION ............................................................................... 25
1.4.3 OVERALL MATRIX FOR SITE SELECTION ............................................... 32
CHAPTER 2 PROCESS CREATION AND SYNTHESIS ................................................ 34

2.1 PROCESS CREATION AND SYNTHESIS ........................................................ 34
2.1.1 SOURCE OF RAW MATERIAL ...................................................................... 34
2.1.2 SPECIFICATION OF RAW MATERIALS ...................................................... 35
2.2 PHYSICAL AND CHEMICAL PROPERTIES OF REACTANTS AND
PRODUCTS...................................................................................................................... 35
2.2.1 TOLUENE ......................................................................................................... 35
2.2.2 BENZENE ......................................................................................................... 36
2.2.3 HYDROGEN ..................................................................................................... 37
2.2.4 PLATINUM AS CATALYST ........................................................................... 37
2.3 5 KEYS SYNTHESIS STEPS ............................................................................... 38
2.3.1 ALTERNATIVE 1 ............................................................................................. 38
2.2.2 ALTERNATIVE 2 ............................................................................................. 51
2.2.3 JUSTIFICATION ON PROCESS FLOWSHEET SELECTION ...................... 62
2.2.4 INDICATION OF “RECYCLE, MARKET & DISPOSAL”. ........................... 63
2.2.5 HEURISTIC APPLICATION ........................................................................... 64
PROCESS ELABORATION ............................................................................................ 65
2.4.1 MATERIAL BALANCE SUMMARY ............................................................. 66
2.4.2 ENERGY BALANCE COMPARISON .................................................................. 68
CHAPTER 3 PROCESS SIMULATION, HEAT INTEGRATION, AND PROCESS

OPTIMISATION ................................................................................................................... 70
3.1 PROCESS SIMULATION .................................................................................... 70
3.1.1 MATERIAL BALANCE COMPARISON ............................................................. 70
3.1.2 ENERGY BALANCE COMPARISON ............................................................ 73
3.2 PROCESS HEAT INTEGRATION ...................................................................... 76
3.2.1 PINCH TECHNOLOGY ANALYSIS .............................................................. 76
3.2.2 PROBLEM TABLE ALGORITHM (PTA)....................................................... 77
3.2.3 HEAT EXCHANGER NETWORK .................................................................. 81
3.2.4 REVISED PROCESS FLOW DIAGRAM ........................................................ 83
3.3 PROCESS OPTIMIZATION ................................................................................ 84
3.3.1 SPECIFICATION AND ASSUMPTION .......................................................... 84
3.3.2 DEFINING DECISION VARIABLE ................................................................ 85
3.3.3 DEFINING OBJECTIVE FUNCTION ............................................................. 86
3.3.4 DEFINING EQUALITY AND INEQUALITY CONSTRAINTS .................... 86
3.3.5 OPTIMIZATION METHOD AND RESULT ................................................... 86
CHAPTER 4 EQUIPMENT SIZING AND COSTING ..................................................... 88

4.1 INTRODUCTION ................................................................................................. 88
4.2 EQUIPMENT SIZING AND COSTING .............................................................. 89
4.2.1 REACTOR ......................................................................................................... 89
4.2.2 HEAT EXCHANGER ....................................................................................... 92
4.2.3 FURNACE ....................................................................................................... 101
4.2.4 HEATING AND COOLING UTILITIES ....................................................... 102
4.2.5 PUMP AND MOTOR...................................................................................... 104
4.2.6 PRESSURE VESSELS AND TOWER ........................................................... 108
4.3 ESTIMATION OF TOTAL CAPITAL INVESTMENT .................................... 124
4.3.1 RETURN ON INVESTMENT, PAYBACK PERIOD AND VENTURE
PROFIT .......................................................................................................................... 125
CONCLUSION .................................................................................................................... 127

CHAPTER 1
PRODUCT SELECTION
1.1 CHEMICAL PRODUCT BAKGROUND
Benzene (C2H6) simplest organic, aromatic hydrocarbon and parent compound of

numerous important aromatic compounds. Benzene is a colourless liquid with a characteristic
odour and is primarily used in the production of polystyrene. It is highly toxic and is a known
carcinogen; exposure to it may cause leukaemia. As a result, there are strict controls on benzene
emissions. Benzene was discovered in 1825 by the English physicist Michael Faraday, and was
made available in large quantities in 1842 after it was found to contain benzene. Large amounts
of benzene are now extracted from petroleum.
Benzene is a colourless liquid with a characteristic odour of formula C6H6. Benzene is

a closed ring of six carbon atoms linked by bonds that alternate between single and double
bonds. Each carbon atom is bound by a single hydrogen atom. Benzene melts at a temperature
of 5.5°C, boils at 80.1°C. Benzene and its derivatives are part of an essential chemical
community known as aromatic compounds. Benzene is a precursor in the production of
medicines, plastics, oil, synthetic rubber, and dyes.
Figure 1.1 2-D structure of Benzene
1
As a result, the hydrogenation of benzene happens much more slowly than the
hydrogenation of other organic compounds containing carbon-carbon double bonds, and
benzene is much more difficult to oxidize than alkenes. Most of the reactions of benzene belong
to a class called electrophilic aromatic substitution, which leaves the ring intact but replaces
one of the hydrogens attached to it. These reactions are versatile and commonly used for the
preparation of benzene derivatives.
1.1.1 BENZENE PRODUCTION
The traditional method of manufacturing benzene from the distillation of light oils
produced during the manufacture of coke has been overtaken by several processes. The main
sources now are from catalytic reforming or steam cracking of liquid petroleum feedstocks, as
well as the hydrodealkylation (HDA) of toluene and toluene disproportionation (TDP).
In Europe, benzene is obtained primarily from pyrolysis gasoline coproduced in the

steam cracking of naphtha, gasoil, or condensates to make olefins. The number of aromatics
produced can be increased by employing heavier feedstocks.
In the US, catalytic reforming is a major source of benzene. Naphtha is mixed with
hydrogen and fed into a reactor containing a catalyst and operating at 425-530oC and 7-35 bar.
An aromatic-rich fraction is separated from the reformate.
In both routes, the benzene needs to be recovered from the aromatics stream. Methods
include solvent extraction, extractive or azeotropic distillation, solid adsorption using
molecular sieves and crystallisation.
1.1.2 APPLICATION OF BENZENE
Benzene has a lot of uses in different fields. Benzene is a widely used industrial
chemical and is a major part of gasoline. Some other uses of Benzene include making plastics,
synthetic fibres, rubber lubricants, dyes, resins, detergents, drugs and more. Some popular one
2
is mentioned and discussed below. Benzene is commonly used as a solvent in many industrial,
commercial and research. Manufacturers use products which contain benzene as solvents in
various production stages and it is used in manufacturing chemical and plastic products. Few
examples include resins, synthetic products such as nylon, Styrofoam, and others. Benzene is
also used in the production of asphalt that is used by roofing and paving companies.
Benzene is also used in the production of tires and rubber and it is found in adhesives
that are used to glue soles to shoes. Further chemical compounds that are manufactured using
Benzene include detergents, pesticides insecticides, herbicides, and dyes. Benzene is found in
most products that is used in the printing industry. There are products that contain this chemical
and are further used specially for cleaning printing equipment which also makes them last
longer and functional. Additionally, ink and variety of painting products, such as spray paints,
sealers, lacquers and stains also contain some portion of benzene. It keeps the paints in liquid
form.
Due to the high-octane number and natural availability, Benzene is used as a fuel by a
lot of people and manufacturers. Some have used it as a gasoline additive to help burn fuel
more efficiently.
3
1.2 MARKET ANALYSIS
According to a recently conducted research about the global benzene market, as an

overall, it is projected to reach approximately 56,304 thousand tons by the end of 2023,
increasing at a CAGR of around 3% per year in the period 2017-2023.
The global benzene market to grow at a CAGR of 4.51% during the period 2017-2021.
1.2.1 WORLD AND LOCAL DEMAND
Benzene demand is anticipated to grow at a healthy CAGR of 2.9% during the forecast
period. Growing consumption of Benzene derivatives in the automotive industry for
manufacturing synthetic rubber has increased Benzene demand in the global market and
demand is anticipated to increase further due to robust growth in the automotive market.
A growing demand for rubber processing chemicals, nylon reins and synthetic fibres is
also driving the downstream market for Benzene derivatives. Ethylbenzene which is one of the
derivatives of Benzene, finds application in producing styrene and growing demand of styrene-
based polymers such as polystyrene, styrene-acrylonitrile reins, acrylonitrile butadiene styrene
rubber in the disposable medical devices and consumer electronics is also boosting the Benzene
market.
Amongst the five regions (Asia-Pacific, Europe, North America, Middle East
& Africa and South America), Asia Pacific region holds the largest volume share of the global
Benzene market. Recently, working from home imposed by the government due to COVID-19
could affect gasoline demand. Moreover, working from home is contributing to greater usage
of home food delivery, online shopping, electronic devices and electrical appliances which will
contribute towards the demand of Benzene during the forecast period.
4
1.2.1.1 GLOBAL
Figure 1.2 Partition of Region that produce Benzene
The global benzene consumption followed an upward trend during 2009-2012. In 2012,
it grew by more than 1.29 million tonnes compared to the previous year and exceeded 42.89
million tonnes. Asia-Pacific was the dominant benzene consumer, followed by Europe and
North America. In 2012, the ethyl benzene and cumene industries were the major end users of
benzene, accounting for around 51% and 20% of the world annual benzene output,
respectively.
The global benzene foreign trade value went beyond USD 6.57 billion in the year 2012,
with Asia-Pacific dominating the benzene exports and Europe leading the imports. The
worldwide benzene production is poised for stable growth in the next four years, spurred by
the constantly increasing demand worldwide as well as benzene capacity additions, current and
scheduled. In 2017, the globe’s benzene production is forecast to go beyond 50.95 million
tonnes.
5
1.2.2.2 LOCAL
The petroleum and petrochemicals industry are one of the leading industries in
Malaysia. From being an importer of petrochemicals, Malaysia is today an exporter of major
petrochemical products. A wide range of petrochemicals are produced in Malaysia, such as
olefins, polyolefins, aromatics, ethylene oxides, glycols, oxo-alcohols, exthoxylates, acrylic
acids, phthalic anhydride, acetic acid, styrene monomer, polystyrene, ethylbenzene, vinyl
chloride monomer and polyvinyl chloride.
Malaysia holds the world’s 24th largest crude oil reserves. According to BP’s
“Statistical Review of World Energy 2008”, Malaysia is also the world’s 14th largest natural
gas reserves with a capacity of 88 trillion cubic feet. Besides, Malaysia also possesses the
world’s largest production facility at a single location of liquefied natural gas (LNG) with
production capacity of 23 million metric tonnes per year.
Through efforts provided by the government and Petroliam Nasional Berhad

(PETRONAS), Malaysia has attracted investors and major industry players such as Shell,
ExxonMobil, Dow Chemical, ConocoPhilips, Kaneka, Polyplastic, Toray, Dairen, Mitsui, BP,
BASF, Idemitsu, Titan and Eastman Chemicals.
The rapid growth of the industry is mainly attributed to the availability of oil and gas
as feedstock, a well-developed infrastructure, a strong base of supporting services, and the
country’s cost competitiveness, as well as Malaysia’s strategic location within ASEAN and its
close proximity to major markets in the Far East.
Lotte Chemical Titan (M) Sdn Bhd & Aromatics Malaysia Sdn Bhd were big company
that produce benzene which estimated by 775,000 MT per annum.
6
1.2.2 CURRENT SUPPLY AND COMPETITORS
The Asia-Pacific is the biggest market of benzene consuming a significant share of the
total consumption in 2012, and it is also the second fastest growing market next to ROW. The
consumption patterns of benzene and its various derivatives are continuously showing an
upward trend which is mainly due to the shift of manufacturing industry to the Asia-Pacific on
account of increasing demand and low cost of production. China is the leading country in the
region in terms of both, production as well as consumption of benzene and its derivatives, while
the Indian market, despite being small in size, is expected to be a market with high potential.
Currently, the demand of benzene is dominated by ethylbenzene manufacturers that

consumed more than half of the total benzene demanded in 2012 and this demand is increasing
at a considerable pace due to budding demand for styrene polymers. Cumene and alkylbenzene
manufacturing segments are expected to be the strongest growth areas of benzene soon, driven
by increased use in the Asia-Pacific and ROW.
The key factors driving the industry are identified as budding demand in the Asia-
Pacific and growth by various end user industries, while rising investments in Saudi
Arabia’s downstream sector is identified as a major opportunity in the market. Value chain and
plant integration is among the key strategies adopted by various market players to sustain their
position in the much competitive market.
China Petroleum & Chemical Corporation (Sinopec, China) and ExxonMobil

Corporation (U.S.) are the leading market participants in benzene market, followed by Royal
Dutch Shell Plc. (The Netherlands), The Dow Chemical Company (U.S.), JX Holdings (Japan),
CNPC (China), Total S.A. (France). However, in terms of market development activities
Sinopec was the most active player from 2010 to 2013 with a share of 12.7% of the total
development activities traced. Other active market participants include CNPC, Total, BASF
SE, etc.
7
1.2.2.1 SUPPLIERS
• Wilhelmsen Ship Management. Kuala Lumpur, Malaysia.

• Atac. Malaysia.
• Suriachem Sdn Bhd. Malaysia.
• Ieqtikaf Enterprise. Kuantan, Malaysia.
• PETRONAS Chemicals Group Berhad.
• Krischem Sdn Bhd.
• Lotte Chemical Titan (M) Sdn Bhd
• Aromatics Malaysia Sdn Bhd
These company are the suppliers of the benzene in our local country. They will supply to
the company and will convert the benzene to other product that will use in our daily life.
1.2.2.2 COMPETITORS
Basically, these company will compete each other to sell their product. To differentiate
the same benzene from these company, a few characteristics will be considered. For example,
a good quality with low price product will have high demand.
A good company will always improve their company and produce a high demand
product so they can sustain in this business.
8
1.2.3 CURRENT MARKET PRICE OF BENZENE
Figure 1.3 Price of Benzene by day
Global Benzene Market 2017-2021 has been prepared based on an in-depth market
analysis with inputs from industry experts. The report covers the market landscape and its
growth prospects over the coming years. The report also includes a discussion of the key
vendors operating in this market.
One trend in the market is declining crude oil prices. The basic raw material for
manufacturing benzene is naphtha. Naphtha is derived from crude oil by its fractional
distillation. Petrochemical prices are dependent on crude oil prices, which tend to fluctuate.
The fluctuating crude oil prices affect the prices of the raw material, affecting the cost of
production of benzene.
9
Figure 1.4 Price Chart of Benzene by 6 months.
According to the report, one driver in the market is increasing demand for benzene for
various applications. Benzene is commonly used as a raw material for the industrial production
of chemicals, such as phenol, styrene, cumene, and aniline. It is an important component of
many paint products such as sealants, topcoats, solvents, and spray paints lacquers.
Further, the report states that one challenge in the market is fluctuating prices of
benzene in the domestic markets of various countries. The fluctuating price of benzene has
been one of the major factors hindering the growth of the benzene market in China. Being one
of the top manufacturers and consumers of benzene, China saw price fluctuations for benzene
in 2016.
10
1.3 PROCESS SCREENING
Process Screening is a process to select the best or most suitable chemical pathways for
the reaction. In this stage, several aspects need to be considered such as gross profit (GP) and
other factors related to sustainable design for all the possible reaction pathways.
1.3.1 PROCESS SELECTION
The processes that contribute to industrial benzene production for our plant design
project are as follows:
Catalytic Reforming Process
Toluene Hydrodealkylation Process
Toluene Disproportionation Process
Analysis costing, conversion, safety and other important criteria are done in this stage.
Different weightage of score has been given to the parameters.
1.3.1.1 REACTION 1: CATALYTIC REFORMING PROCESS
Catalytic reforming is a high temperature catalytic process to convert low-octane

naphthas into aromatic compounds (benzene, toluene and xylene) for use
in petrochemical production. The product stream of the reformer is generally referred to as a
reformate. Reformate produced by this process has a high-octane rating. Significant quantities
of hydrogen are also produced as a by-product. Catalytic reforming is normally facilitated by
a catalyst (typically a mixture of platinum and aluminium oxide) that is capable of rearranging
and breaking long-chain hydrocarbons as well as removing hydrogen from naphthenes to
produce aromatics. Catalytic reforming takes straight chain hydrocarbons in the C6 to C8 range
from the naphtha fractions and rearranges them into compounds containing benzene rings.
11
Figure 1.5 Hexane (C6H14) loses hydrogen and turns into benzene
The aromatic products of the reaction are separated from the reaction mixture
reformates by extraction with any one of a number of solvents, which are diethylene glycol or
sulfolane. Benzene is then separated from the other aromatics by distillation. The extraction
step of aromatics from the reformate is designed to produce aromatics with lowest non-
aromatic components. Recovery of the aromatics (benzene, toluene and xylene) involves such
extraction and distillation steps. These processes produce high octane blending stock.
Reforming process is also a source of feedstock for petrochemical plants. Reformates can be
produced with very high concentrations of toluene, benzene, xylene and other aromatics useful
both for gasoline blending and petrochemical processing. Hydrogen is separated from the
reformate for recycling and used in other refinery processes like hydrodesulfurization.
Figure 1.6 Block Flow Diagram of catalytic reforming for benzene production
12
Figure 1.7 Process Flow Diagram of catalytic reforming for benzene production
1.3.1.2 REACTION 2: TOLUENE HYDRODEALKYLATION PROCESS
Toluene hydrodealkylation is a process to convert toluene to benzene. The process is

known as hydrogen intensive process and it uses chromium or platinum oxide as a catalyst
under a certain condition. When the reaction temperature is too high, the catalyst is usually
neglected. Toluene and hydrogen reacts in the reactor with the help of platinum oxide as a
catalyst to produce benzene and methane. The process optimally operates at 500-660⁰C and
20-60 atm. Toluene and hydrogen are converted in a reactor packed with catalyst to produce
benzene and methane. Typically, the reaction reaches a conversion of 90%.
13
Mixed gas
Heat
Exchanger
Toluene
Benzene
(10 000kg/h)
Feed Mixer Reactor Separator

Hydrogen
(820kg/h)
Mixed
Liquid Distillation
Column
Toluene
Figure 1.8 Block Flow Diagram of the toluene dehydroalkylation for benzene production
The process begins with mixing fresh toluene with a stream of recycled unreacted
toluene. The mixing is done in a storage tank. The toluene is then pumped to be combined with
a stream of mixed hydrogen and fresh hydrogen gas. The mixture of hydrogen and toluene is
preheated before it is introduced to the heater or furnace. In the furnace, the stream is heated to
600 ⁰C (the reaction temperature). It will then be introduced into the reactor. The reactor is
where the main reaction happens:
𝑪𝟔 𝑯𝟓 𝑪𝑯𝟑 + 𝑯𝟐 → 𝑪𝟔 𝑯𝟔 + 𝑪𝑯𝟒
Toluene + hydrogen gas → benzene + methane
This reaction is irreversible, and it requires catalyst. The catalyst consists of chromium
or molybdenum oxides, platinum or platinum oxides, on silica. The products are then cooled
and introduced into a pair of separators that separate the unreacted hydrogen. A portion of the
unreacted hydrogen is compressed and recycled back to the feed and the reactor. The products
leaving the separators are then heated before being introduced into a distillation column, where
toluene is separated from the stream and recycle to the feed. This allows for greater conversion.
Then, further fractionation separates methane and toluene from the benzene product. The
heating requirements are achieved with low, high and medium pressure steam. This is a
catalytic exothermic reaction, and the temperature is controlled by injecting hydrogen into the
14
reactor. The process then continues to the separator feed preparation phase. This process phase
begins with introducing the stream into a cooling water heat exchanger to cool the product
stream, which condenses most of the toluene and benzene in the stream.
Figure 1.9 Process Flow Diagram of the toluene dehydroalkylation for benzene production.
The stream then proceeds to the final phase of the process, which is the separation. In
this phase, the desired product is separated from the by-products and the unreacted components.
Benzene is separated from unreacted toluene, unreacted hydrogen and the by-product methane.
This is achieved by introducing the two-phase stream containing benzene, methane, hydrogen
and toluene into a high-pressure phase separator. In this flash drum, the vapor and liquid are
separated. The overhead stream contains hydrogen and methane, while the bottom stream
contains some hydrogen, some methane, and mainly toluene and benzene. The overhead
stream is recycled back to the feed and to the reactor. The bottom stream is then introduced to
a second separator, where mainly all the methane and hydrogen is separated in the overhead
stream. This separator is a low-pressure separator. The liquid exiting the low-pressure flash
drum consist of mainly toluene and benzene. The separation is then completed by heating the
stream in heat exchanger, which is then introduced to a distillation column. The stream is
heated by using low pressure steam. The distillation column is used to purify the benzene
product by separating all the unreacted components and the by-products.
15
1.3.1.3 REACTION 3: TOLUENE DISPROPORTIONATION PROCESS
MTDP-3 process is the state-of-the-art process for toluene disproportionation to

benzene and mixed xylenes. The technology, based on a proprietary zeolite catalyst, offers high
product yields at high toluene conversion. MTDP-3 is ideal for toluene upgrade to more
valuable chemicals without investing in paraxylene separation facilities. Benzene product
exceeds 99.9% purity, thus additional extraction capacity is not required. Highly selective and
stable, MTDP-3 is a simple fixed-bed process with first cycle lengths typically exceeding seven
years with stable product yields across the cycle MTDP-3 has been operated commercially at
multiple Licensees sites for more than 20 years.
Figure 1.10 Process Flow Diagram of Toluene Disproportionation.
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1.3.2 MARKET PRICE OF RAW MATERIAL, BY-PRODUCT AND PRODUCT
a) Reaction 1: Catalytic Reforming Process
Table 1.1 Prices of Chemical Reactants and Products for Reaction 1
Chemical Price (RM/kg) Source of Reference
Naphtha 1.56 Trading Economics (2020)
Benzene 2.26 Echemi (2020)
Toluene 2.10 Echemi (2020)
Xylene 2.15 Echemi (2020)
Hydrogen 3.30 Trevor Brown (2019)
b) Reaction 2: Toluene Hydrodealkylation Process
Chemical Price (RM/kg) Source of Reference
Methane 4.71 Global Petrol Prices (2020)
c) Reaction 3: Toluene Disproportionation Process
Chemical Price RM/kg Reference

Xylene 2.15 Echemi (2020)
C5 5.39 Alibaba (2020)
17
C9 Aromatic 5.60 Alibaba (2020)
1.3.3 GROSS PROFIT CALCULATION
The Gross profit (GP) of reaction pathways is calculated by using the overall chemical equation
and the respective market price for each reactant, product and by-product.
Reaction 1: Catalytic Reforming Process
Table 1.4 Gross Profit calculation for Reaction 1
Aspects Reactant Products

Overall Chemical
Naphtha C6H6 C7H8 C8H10 H2
Equation
kmol 1 1 1 1 1
Molecular weight
145.00 78.11 92.14 106.16 2.02
(kg/kmol)
Weight 145.00 78.11 92.14 106.16 2.02
Weight/Weight
1.856 1.000 1.179 1.359 0.026
C6H6
Price (RM/kg) 1.56 2.26 2.10 2.15 3.30
Gross Profit 1 (2.26) + 1.179 (2.1) + 1.359 (2.15) + 0.026 (3.30) - 1.856
(RM/kg C6H6) (1.56) = 4.85
Reaction 2: Toluene Hydrodealkylation Process
Aspects Reactants Products

Overall Chemical
C7H8 H2 C6H6 CH4
Equation
kmol 1 1 1 1
18
Molecular weight
92.14 2.02 78.11 16.04
(kg/kmol)
Weight 92.14 2.02 78.11 16.04
Weight/Weight
1.179 0.026 1.000 0.205
C6H6
Price (RM/kg) 2.10 3.30 2.26 4.71
Gross Profit
1 (2.26) + 0.205 (4.71) - 1.179 (2.1) - 0.026 (3.30) = 0.66
(RM/kg C6H6)
Reaction 3: Toluene Disproportionation Process

Overall Chemical
C7H8 C6H6 C8H10
Equation
kmol 2 1 1
Molecular Weight
92.14 78.11 106.16
(kg/kmol)
Weight 184.28 78.11 106.16
Weight/Weight
2.36 1.00 1.36
C6H6
Price (RM/kg) 2.10 2.26 2.15
Gross Profit
1.36(2.15) + 1(2.26) – 2.36(2.10) = 0.23
(RM/kg C6H6)
19
1.3.4 FACTOR TO CONSIDERS
Reaction 1: Catalytic Reforming Process
Criteria Details
Cost of Feed Very low feed cost
Side Products Hydrogen, Toluene and Xylene
Temperature 500 – 530⁰C
Pressure 5- 45 atm
This operation does not pose any harm to the

Environmental impacts
environment
The production of Hydrogen gas may pose risk to this
Safety
benzene synthesis process
Very high conversion and yield
Conversion and Yield
The conversion for this process is 95%, with 99% purity
Reaction 2: Toluene Hydrodealkylation Process
Criteria Details
Cost of Feed Moderate feed price
Side Products Methane
Temperature 500-660⁰C
Pressure 20-60 atm
20
The emission of treated combustion products may pose
Environmental impacts
harm in the long run
With high temperature and presence of H2 in the feed
Safety
stream, this operation has high risk
Conversion and Yield Typically, the reaction reaches a conversion of 90%.
Reaction 3: Toluene Disproportionation Process
Criteria Details
Low catalyst cost, inexpensive debottlenecks and low
Cost of Feed
operating cost
Side Products Xylene
Temperature 370°-500° C
Liquid hourly space velocity (LHSV) between 2.0 - 6.0
Pressure
Inlet pressure of about 40 atm.
Reduce emissions and operate safe, reliable and
Environmental Effects
efficient facilities.
Benzene product with greater than 99.9% purity
Conversion and Yield Very high toluene conversion per pass
High xylene/benzene ratio
21
1.3.5 OVERALL MATRIX FOR PROCESS SELECTION
Table 1.10 Overall Matrix for Process Selection
Criteria Weightage Reaction 1 Reaction 2 Reaction 3
Gross Profit (GP) 0.25 3 2 1
Cost of Feed 0.10 3 1 2
Side Reactions 0.10 1 2 3
Temperature 0.05 1 2 3
Pressure 0.05 2 3 1
Environmental
0.10 1 2 3
Impacts
Safety 0.10 1 2 3
Conversion and
0.25 2 3 1
Yield
Total 2 2.2 1.8
As a conclusion, based on the marks calculated at Table 1.10, we decided to choose Reaction
2: Toluene Hydrodealkylation Process. This is because the reaction has the highest gross
profit among all the processes, it has the highest conversion, it requires low operation pressure,
and the cost of feed is the cheapest among all processes.
22
1.4 SITE SELECTION
1.4.1 FACTOR OF SITE SELECTION
The focus is on the side selection, which is to consider the most strategic location in
terms of geographical factors. A strategic site for a new project must be identified and a site
and equipment layout must be planned to ensure that the plant operates at its best to ensure the
quality of the production of benzene. In addition, certain factors must be considered in the first
place in the selection of suitable sites, such as location, raw material supply, transport facilities,
labour availability, availability of utilities, availability of suitable land, effluent disposal, local
community consideration, climate and, lastly, political and economic considerations.
Location of Area
The industrial area is typically located outside the main neighbourhood of the city. The
range, for the most part, is given great transport, including by road and rail. Separating the
industrial region is designed to set aside modern uses from urban areas in order to reduce the
ecological and social impact. It can also draw on more new businesses by providing a
coordinated framework in one area.
Raw Materials Supply

The supply of raw materials is one of the most important figures in the choice of a plant
area. The raw material supply is a critical angle that should be considered before starting a
plant. As the chemical process involves the change of raw materials to the completion of the
product, it is essential to have a plant located close to where the supply of raw materials is
greatest.
Transport Facilities
Transport facilities are vital for the conveyance of raw materials to the plant and for the
dispersion of finished goods to the market. The basic means of transport, such as road, rail and
ocean, should be accessible and close to the plant. A minor consideration is the accessibility of
air transport due to the obstruction of the use of air transport. A decent transport facility does
not just guide the entire procedure but can help to boost import and fare exercises.
23
Effluent Disposal
Effluent disposal, whether in liquid, strong or vaporous, is a major concern in the
planning of a plant. There are very extreme restrictions on the transfer of waste, and these vary
with a specific area. The permissible levels of resistance to water, soil and air dispersal must
be considered. The site has chosen the need for a sufficient and successful transfer framework
to deal with effluents, e.g. seepage frameworks and dumping sites.
Climate
Before starting a plant, it is essential to determine the climatological data for the site
region. The atmosphere can have a vital impact on the financial functioning of the procedure.
Malaysia 's climate is consistently benefiting from a tropical atmosphere with both high
temperatures and humidity. Consideration should be given to data on the example of
precipitation and the frequency of high winds or major storms. When selecting a site within a
chosen area, the local history should be checked first.
Availability of Labour
The plant should be in an area where an adequate supply of work is available.
Accessible labour from nearby specialised establishments will give an advantageous
undertaking to operate the plant easily. Despite the fact that the general pattern is for extended
computerization in the concoction plant, regardless of staff and the design of the workforce,
the procedure still requires a huge amount of work to be done, particularly in the case of a
moving framework in an operation.
Availability of Utilities
Power required for electrochemical processes, engines, lighting and general
application. Steam is produced in tube boilers using most of the monetary fuel for the process
of heating and is required for the procedure. In addition, water is required for general use in
the light of the fact that the water required for general use will be taken from the nearby source
of water.
Suitable Land
Appropriate land will be available for the proposed plant and for future extension. Land
should be exhausted all around, ideally flat and have a reasonable load bearing limit. A full
24
assessment of the site should be made to determine the requirement for another unusual
establishment. It should also be accessible at a low cost.
Local Community
The local plant community must be able to provide sufficient services to plant workers,
such as classrooms, banks, accommodation, and recreation offices. Other than that, the planned
plant would blend into and be worthy of the local culture. Absolute care must be given to the
protected area of the farm. That does not force a major additional risk to the society.
Politic & Economic

Capital grants, tax exemptions and other benefits are routinely offered by the
government to direct new projects to the chosen regions, such as high unemployment.
Accessibility of such sacrifices could be an abrogative idea in the selection of the location.
1.4.2 SUGGESTED LOCATION
Table below show the suggested site selection with their factor in Tanjung Langsat
Industrial Complex, Pasir Gudang, Johor, Kertih Industrial Park, Kerteh, Terengganu and
Samalaju Industrial Park, Bintulu, Sarawak.
25
Factors Location
Tanjung Langsat Industrial Complex, Kertih Industrial Park, Terengganu Samalaju Industrial Park, Bintulu,
Pasir Gudang Sarawak
Distance from 29.9 km to Johor Bahru 137.7 km to Kuala Terengganu 520.1 km to Kuching
town
Types of industry Petrochemical Petrochemical Petrochemical
Marketing area Petroleum industry Petroleum industry Gasoline Industry
Raw material Naphtha: Naphta: Naphta:
source Petronas Penapisan (Melaka) Sdn. Bhd. Petronas Penapisan Shell Refinery Co.
Malaysia Refinery Company (Terengganu) Sdn. Bhd. Petron Malaysia Refining &
Sdn. Bhd. Kemaman Bitumen Co. Marketing
Port Johor Port. Kertih Port Bintulu Port
Tanjung Langsat Port. Kemaman Port.
Tanjung Pelepas Port Kuantan Port.
Port facilities Johor Port: Kertih Port: Bintulu Port
Strategic positions which in the heart of Main area for bulk liquid port. Located at the doorstep of one of the
the sprawling 8,000-acre Pasir gudang Centralised tankage facilities. most dynamic industrial development
Industrial Estate. Bulk chemical storage in 41 tanks that zones in Borneo, handling oil & gas
interconnected to customers and jetty related industries, timber based and
via industrial pipelines. palm oil products.
26
About 2.4 km of berths and provides Contained 6 tanker berths for vessels Berth Capacity up to 71.24 Mill
liquid bulk, dry bulk, break bulk and up to 40,000 dwt handling liquefied Tonnes that include General Cargo
container services. gas and petrochemicals. Wharf, Bulk LNG Jetty and Covered
Free Zone Authority and directly Kemaman Port: storage.
manages. Consisted of 5 terminals which are Contained 3 warehouse and open
Consisted of three hazardous liquid East Wharf, Kemaman Supply Base, storage that cover 79,100 m2/unit for
bulk terminals to handle LPG, LPG Export Terminal, Liquid storage facilities.
chemicals and petrochemicals. Chemical Berth and West Wharf.
Tanjung Langsat Port: The depth of the port basin is 17 m
Fitted with a 4.5 km shoreline that suits with capacity to accommodate vessels
for oil & gas and marine-related up to 150,000 dwt.
industries. LPG Export Terminal which managed
Consisted of 4 zones which are storage by Petronas.
terminals, oilfield services and
equipment (OFSE).
The liquid cargo jetty, with water depth
of 15 m, caters to vessels ranging Kuantan Port:
between 5,000 to 120,000 dwt. Consisted of 3 berth container which
Dry cargo jetty can cater vessels up to each caters to vessels at 35,000 dwt.
40,000 dwt. Cargo handling includes break bulk,
Tanjong Pelepas Port: dry bulk and liquid bulk.
27
Malaysia’s most advanced container
terminal.
Total area around 1,800,000sq m with
capacity 12,500,000 TEUs.
Free zone land comprises of 5 phases
with a total acreage of 1,583.
Airport Senai International Airport Sultan Mahmud Airport. Bintulu Airport
Senai Airport Cargo Terminal Kerteh Airport. Mukah Airport
Warehouse. Redang Airport. Marudi Airport
Sultan Ahmad Shah Airport. Sibu Airport
Kuantan Airport. Miri Airport
Mulu Airport
Road facilities Pasir Gudang Highway. Kuala Terengganu-Kuantan Highway. Pan Borneo Highway
Second Link Expressway. Jerangau-Jabor Highway. Kemena Bridge
Senai-Desaru Expressway. Kuala Lumpur-Karak-Kuantan Keppel Road
Port of Tanjung Pelepas Highway. Highway.
Johor bahru Eastern Dispersal Link Jalan Gombak.
Expressway.
North-South Highway.
Disposal Southern Waste Management Sdn. Kualiti Alam Sdn. Bhd. Trienekens (Sarawak) Sdn. Bhd.
facilities Bhd. Puji Nature Resources Sdn. Bhd. Ulu Segan landfill
28
Zaquin Resources Sdn. Bhd. Kuala Terengganu sanitary landfill
Kualiti Alam Sdn. Bhd. (SLF).
Water supply SAJ Ranhill Sdn. Bhd. Syarikat Air Terengganu (SATU). Sarawak Rural Water Supply
Department
Water rate per Band 1: 0-35 𝑚3 @RM2.80/ 𝑚3 Band 1: RM1.15/ 𝑚3 Band 1: 0-23 𝑚3 @ Minimum charge
1𝑀3 Band 2: >35 𝑚3 @RM3.30/ 𝑚3 Minimum charge: RM50.00 (RM24.20)
Minimum charge: RM30.00 Band 2: >23 𝑚3 @RM1.21/ 𝑚3
Electrical supply Tenaga Nasional Berhad (TNB) Tenaga Nasional Berhad (TNB) Sarawak Electricity Supply
Corporation (SESCO)
Electricity rate RM0.428 RM0.428 RM0.26
per KWh
Availability of Upon request (in acres) 8.44 acres 17297.38 acres
land
Land prices per RM538.195 RM70.07 RM54.00
𝑚2
Other facility Hospital: Hospital: Hospital:
KPJ Pasir Gudang Specialist Hospital. Hulu Terengganu Hospital. Bintulu Hospital
Hospital Penawar Pasir Gudang. Kemaman Hospital. Bintulu Medical Centre
Regency Specialist Hospital. Hospital Besut. Columbia Asia Hospital, Bintulu
Police Station: Hospital Sultanah Nur Zahirah Kuala Police Station
Pasir Gudang Police Station. Terengganu. Central Bintulu Police Station
29
Pasir Putih Police Station. Police Station: Tanjung Kidurong Police Station
Fire Station: Kerteh Police Station. Fire Station
Pasir Gudang Fire and Rescue Station. Paka Police Station. Bintulu Fire and Rescue Station
Dungun District Police Headquarters. Samalaju Fire and Rescue Station
Fire Station: Bintulu Port Fire Station
Kerteh Fire and Rescue Station.
Kijal Fire and Rescue Station.
Paka Fire and Rescue Station.
Petrochemical Petrochemicals (M) Sdn. Bhd. Petrochemical & Power Plant Services Petronas LNG Complex
plant Lotte Chemical Titan (M) Sdn. Bhd. Sdn.Bhd. Shell Middle Distillate Synthesis
Idemitsu SM (M) Sdn. Bhd. Kertih Terminals Sdn. Bhd. Sesco Power Plant
Pacific Oleochemicals Sdn. Bhd. BP Petronas Acetyls Sdn. Bhd. Sarawak Petchem Sdn Bhd
Synthomer Sdn. Bhd. Petronas Chemicals LDPE Sdn. Bhd. Sarawak Shell Bintulu Plant
Arkema Thiochemicals Sdn. Bhd. Asean Bintulu Fertilizer Plant
Incentive for 0% special tax rate for 10 years for new Granted an allowance of 60% in 70% tax exemption on statutory
investment investment with capital investment respect of qualifying capital income for 5 years
between RM 300 million to RM 500 expenditure incurred within 5 years. 60% allowance on qualifying capital
million. Pay tax on 30% of statutory income for expenditure incurred within 5 years &
For above RM500 million, 0% special a period of 5 years, commencing from can be utilised to offset against 70%
tax rate for new investment. production day. of statutory income
30
100% investment tax allowance (ITA) 60% allowance on qualified capital
for 5 years for existing company with expenditure & is free to offset against
capital investment above RM300 70% of statutory income
million. Allowance offset against 100%
of statutory income for each
assessment year.
Availability of Local and foreign employees Local and foreign employees Local and foreign employees
Labour Near to training centre and University Near to training centre Near to training centre and University
UiTM Pasir Gudang Kemaman Community College UPM Bintulu Campus
Institut Latihan Perindustrian Pasir Sultan Mizan Zainal Abidin Advanced Technology Training
Gudang Polytechnic Center (ADTEC) Bintulu
Giatmara Tebrau
31
1.4.3 OVERALL MATRIX FOR SITE SELECTION
Table 1.11 Overall Matrix for Site Selection
Pasir Gudang, Kertih, Bintulu,

Weightage
Johor Terengganu Sarawak
Raw material
0.20 2 3 1
availability
Location 0.10 3 2 1
Price of land 0.10 1 2 3
Transport
0.15 3 2 1
Facilities
Availability of
0.05 2 1 3
Labours
Availability of
0.10 2 1 3
Utilities
Environmental
Impact and 0.10 3 1 2
Effluent Disposal
Political and
Strategic 0.20 2 1 3
Consideration
TOTAL 2.25 1.75 2
From the evaluation among three locations, the best location for benzene chemical plant to
operate is in Tanjung Langsat Industrial Complex, Pasir Gudang, Johor with the highest
score of 2.25. Tanjung Langsat Industrial Complex, Pasir Gudang fulfilled the requirements
needed in terms of:
Raw Material Availability

The raw material in producing benzene is Naphta, which is available in the Melaka since it is
refinery product from petroleum. It can get from Petronas Penapisan (Melaka) Sdn. Bhd. and
Malaysia Refinery Company Sdn. Bhd.
32
Location
Tanjung Langsat Industrial Park is in Pasir Gudang District which is 29 km from Johor’s State
City which is Johor Bahru.
Transport Facilities
The location is near to Johor Port and Tanjung Langsat Port, which 3.8 km and 14.8 km far
from the location, respectively. It is also connected by the Pasir Gudang highway. The Senai
International Airport is only 59 km far from the Tanjung Langsat Industrial Complex.
Availability of Labour
Availability of training centre in the industrial area ease the employee to get training or
employee to seek for a position in company. UiTM Pasir Gudang, Institut Latihan Perindustrian
Pasir Gudang and Giatmara Tebrau are in the Pasir Gudang Industrial area.
Availability of Utilities
The supply of water to the Tanjung Langsat Industrial Complex is from the Syarikat Air Johor
(SAJ) Ranhill Sdn. Bhd. For industries, SAJ charges RM2.80/m2 for the first 35m2 and
RM3.30/m2 for use of more than 35m2. In addition, the electrical supply for the Tanjung
Langsat Industrial Complex is from the Sultan Iskandar Power Station, operated by Tenaga
Nasional Berhad (TNB). TNB charges RM0.428 per kwH.
33
CHAPTER 2
PROCESS CREATION AND SYNTHESIS
2.1 PROCESS CREATION AND SYNTHESIS
2.1.1 SOURCE OF RAW MATERIAL
Based on our previous task, we concluded that the best process operation for the
synthesis of benzene is toluene hydroalkylation process. This operation will be operated at
Tanjung Langsat Industrial Complex, Pasir Gudang, Johor. The raw materials suggested
are able to be supplied by local industries nearby the production site chosen. However, for
the catalyst (Platinum) introduced to our operation, we will obtain them from China and
the catalyst will be transported to our site using container shipment. Water is supplied
through pipeline by SAJ Ranhill Sdn. Bhd., Johor’s water supplier. The raw materials with
their respective available sources are displayed in Table 2.1:
Table 2.1 Sources available for raw materials in benzene production.

Raw Material Suppliers Location Transport Medium
Jalan Permas 9-3
Bandar Baru Permas
HG Chemicals
Jaya 81750 Masai
Technology Sdn Bhd.
Johor. Johor, Johor
Bahru, Malaysia
Toluene Container truck
21, Jalan Cenderai
26, Taman
Netforce Chemical,
Perindustrian Kota
Sdn Bhd
Puteri, 81750 Masai,
Johor
Shandong Wanda R1318 Greenland
Container
Platinum Organosilicon New No. 3 Lane 58
shipment
Material Co., Ltd Xinjian East Rd.,
34
Minhang, Shanghai,
China
Plot 63, Jalan
Universal Industrial Teknologi 2, Taman
Hydrogen Gas Container truck
Gas Sdn. Bhd. Teknologi Johor,
Johor, 81400 Senai.
2.1.2 SPECIFICATION OF RAW MATERIALS
As for benzene manufacturing process, there is 2 reactant, and 1 catalyst involved since the
chosen reaction path is toluene hydro alkylation process. Those materials are listed according
to their specifications as displayed in Table 2.2:
Table 2.2 Raw Materials with their respective specifications.

Specification
Raw Material Physical state at Volume required Physical state
Purity (%)
room temp (per day) during supply
Toluene Liquid 99.99 > 100 tonnes Liquid/Gas
Hydrogen Gas 99 > 100 tonnes Gas
Platinum Solid 99.99 > 100 tonnes Solid
2.2 PHYSICAL AND CHEMICAL PROPERTIES OF REACTANTS AND

PRODUCTS
2.2.1 TOLUENE
Table 2.3 Physical and Chemical Properties of Toluene.
Physical State and Appearance Liquid

Odor Sweet, pungent, benzene-like odor
Taste Not applicable
Molecular Weight (kg/kmol) 92.14
Density (kg/m3) 867.0
35
Colour Colourless
Boiling Point (˚C) 110.6
Melting Point (˚C) -95.0
Critical Temperature (˚C) 318.64
Critical Pressure (atm) 40.70
Specific Gravity 0.867
Specific heat capacity (J/mol.K) 157.05
Standard enthalpy of formation at
12.00
298K (kJ/mol)
Standard Gibbs energy of formation at
120.47
298K
Heat of vaporisation of normal
33.18
boiling point (kJ/mol)
Flammability Yes
Solubility in organic compounds Yes
Solubility in water No
Toxicity Yes
2.2.2 BENZENE
Table 2.4 Physical and Chemical Properties of Benzene.
Physical State and Appearance Liquid

Odor Sweet, aromatic, gasoline-like odor
Taste Not applicable
Colour Colourless
Melting Point (˚C) 5.5
Critical Temperature (˚C) 289.00
49.26
298K (kJ/mol)
121.68
298K
30.72
36
Flammability Yes
Solubility in organic compounds Yes
Solubility in water No
Toxicity Yes
2.2.3 HYDROGEN
Table 2.5 Physical and Chemical Properties of Hydrogen.
Physical State and Appearance Gas

Odor Rotting, cabbage-like odor
Taste Sour
Colour Colourless
Boiling Point (˚C) -252.9
Melting Point (˚C) -259.2
Critical Temperature (˚C) -239.95
Specific heat capacity (J/mol.K) 0
0
298K (kJ/mol)
0
298K
0.90 (-252.87˚C)
Flammability Yes
Solubility in organic compounds Negligible
Solubility in water Negligible
Toxicity No
2.2.4 PLATINUM AS CATALYST
Table 2.6 Physical and Chemical Properties of Platinum.
Physical State and Appearance Solid

Odor Odourless
Taste Tasteless
37
Colour Silvery-white
Melting Point (˚C) 1774.0
510.00
Flammability No
Insoluble in water, but soluble in hot aqua
Solubility
regia
Toxicity No
2.3 5 KEYS SYNTHESIS STEPS
2.3.1 ALTERNATIVE 1
2.3.1.1 STEP 1: ELIMINATE DIFFERENCES IN MOLECULAR TYPE
For the benzene production process, the details on the chemicals involved in the
reactions are tabulated in Table 2.7 below. The price list of the reactants and the products are
also provided.
Table 2.7 Properties and prices of raw materials, product and by-products.
Price Molecular Weight Chemical Chemical

Chemical
(RM/ton) (g/mol) Formula Structure
Toluene 2100.00 92.14 C7H8
Hydrogen 3300.00 2.02 H2
38
Benzene 2260.00 78.11 C6H6
Methane 4710.00 16.04 CH4
Xylene 2150.00 10.16 C8H10
From the process selection developed in Task 1. The chemical reaction pathway 2 is
seen below.
C6H5CH3 + H2 ‹ C6H6 + CH4

Toluene + hydrogen gas → benzene + methane
Toluene and hydrogen are converted in a reactor packed with catalyst to produce
benzene and methane. Typically, the reaction reaches a conversion of 90%. The reaction is
highly exothermic, and the typical operating conditions are 500˚C to 660˚C, and 20 to 60 bar.
The economic potential or gross profit (GP) of reaction path 2 has been illustrated in
the Table 2.1 after considers the overall reaction and assumed the reaction occurs at 100%
conversion.
Table 2.8 Gross Profit (GP) for reaction path 2
Aspects Reactants Products

Overall Chemical
C7H8 H2 C 6 H6 CH4
Equation
kmol 1 1 1 1
Molecular weight
92.14 2.02 78.11 16.04
(kg/kmol)
Weight 92.14 2.02 78.11 16.04
39
Weight/Weight
1.179 0.026 1.000 0.205
C6H6
Price (RM/kg) 2.10 3.30 2.26 4.71
Gross Profit
1 (2.26) + 0.205 (4.71) - 1.179 (2.1) - 0.026 (3.30) = 0.66
(RM/kg C6H6)
2.3.1.2 STEP 2: DISTRIBUTE THE CHEMICALS BY MATCHING SOURCES AND

SINKS.
The process begins with mixing fresh toluene with a stream of recycled unreacted
toluene. The mixing is done in a storage tank. The toluene is then pumped to be combined with
a stream of mixed hydrogen and fresh hydrogen gas. The mixture of hydrogen and toluene is
preheated before it is introduced to the heater or furnace. In the furnace, the stream is heated to
600˚C (the reaction temperature). It will then be introduced into the reactor. This reaction is
irreversible, and it requires catalyst. The catalyst consists of chromium or molybdenum oxides,
platinum or platinum oxides, on silica. The reactor is where the main reaction happens:
C6H5CH3 + H2 ‹ C6H6 + CH4
Generally, toluene hydrodealkylation process is believed to have 90% conversion,

which is some remained toluene may be in a significant amount where can be recycled due to
their commercial value. The reactor is a vertical vessel packed with catalyst. This is a catalytic
exothermic reaction, and the temperature is controlled by injecting hydrogen into the reactor.
The exiting stream exits at 24.81 bar and 671˚C, it contains methane, benzene, toluene, and
hydrogen. The additional toluene is computed by [1 – 0.9/0.9] ⨯ 15.6901 ton/hr which is
equivalent to 1.7433 ton/hr of toluene recycled. From Gross Profit Calculation by considering
320 working days per year:
C6H6:
1.0 × 100,000𝑚𝑡/𝑦𝑟 = 100,000 𝑚𝑡/𝑦𝑟
40
𝑚𝑡 1 𝑦𝑟 1 𝑑𝑎𝑦
100,000 × × = 13.0208 𝑚𝑡/ℎ𝑟
𝑦𝑟 320 𝑑𝑎𝑦 24 ℎ𝑟
H2:
0.026 × 100,000𝑚𝑡/𝑦𝑟 = 2,600 𝑚𝑡/𝑦𝑟

100,000 × × = 0.3385 𝑚𝑡/ℎ𝑟
C7H8:
1.179 × 100,000 𝑚𝑡/𝑦𝑟 = 117,900 𝑚𝑡/𝑦𝑟

117,900 × × = 15.3515𝑚𝑡/ℎ𝑟
CH4:
0.205 × 100,000𝑚𝑡/𝑦𝑟 = 20,500 𝑚𝑡/𝑦𝑟

20,500 × × = 2.6693 𝑚𝑡/ℎ𝑟
41
Figure 2.1 Process flowsheet showing the distribution of chemicals.
42
2.2.1.3 STEP 3: ELIMINATE DIFFERENCES IN COMPOSITION.
In this step, the desired product is separated from the by-products and the unreacted
components. That is, benzene is separated from unreacted toluene, unreacted hydrogen, and
the by-product methane. This is achieved by introducing the two-phase stream containing
benzene, methane, hydrogen and toluene into a high-pressure phase separator. In this separator
the vapor and liquid are separated. In the overhead mainly hydrogen and methane exit, and in
the bottom some hydrogen, methane, and mainly all the toluene and benzene exit. The
overhead stream is split into two streams; one stream is compressed to 25.5 bar in compressor
and is recycle back to the feed and to the reactor, the other stream is a portion of the fuel gas
stream. The separation happens at a temperature of 38˚C and 23.9 bar. The partially separated
stream is then introduced in a distillation, where mainly all the methane and hydrogen are
separated in the overhead stream. This separator is a low-pressure separator. The liquid exiting
the low-pressure separator consist of mainly toluene and benzene and traces of dissolved
hydrogen and methane.
A conversion reactor is used to simulate this stoichiometric reactor. The reaction

stoichiometry must be entered to appropriately use this reactor. This reactor type is used since
only the reaction is known; no other data equilibrium data is known. The process stream now
containing a high amount of benzene exits the reactor at 671˚C, this temperature must be
decreased to separate the unreacted components with the products. The outlet stream of the
reactor is a two-phase stream that is introduced into the first separator. This knock out drum
separates mostly all hydrogen and methane and it also contains traces of toluene and benzene.
The pressure and temperature of this flash drum must be specified to 23.9 bar and 38˚C. Table
2.3 shows the boiling point data of sulphur, sulphur dioxide and sulphur trioxide, together their
phase at 23.9 and 2.8 bar.
Table 2.9 Boiling points and phases data of components
Boiling Point (˚C) Phase at

Component
26 bar 25 bar 24 bar 3 bar room T
Toluene 261 258 255 151 Liquid
43
Hydrogen -291 -329 Gas
Benzene 240 237 236 122 Liquid
Methane -95 -96 -97 -145 Gas
The overhead stream of the separator is then split into two streams. First stream is to
mix the feed into the reactor, and second stream is product stream that will combine with
methane as a fuel gas. This is the catalytic exothermic reaction, and the temperature is
controlled by injecting the excess oxygen into the reactor.
44
Figure 2.2 Process flowsheet including the separation operations for Benzene production.
45
2.1.4 STEP 4: ELIMINATE DIFFERENCES IN TEMPERATURE, PRESSURE AND
PHASE.
Figure 2.3 shows the possible flowsheet includes the temperature, pressure and phase
differences. The operations involved are as follows:
The pressure of toluene that enter to reactor need to be increase from 1.9 to 25.5 bar in order
to get same pressure with the hydrogen inlet.
The temperature change before entering the reactor is because want to vaporise the
toluene. The stream is at the desired pressure, 24.81 bar, and temperature, 600˚C, necessary for
the reaction to occur.
Product stream of the reactor containing all four chemicals. In order to split it, the
temperature need to be changed to split it into two different phases. The product stream needs
to be cool to 38˚C, by using cooling water. The pressure and temperature of this flash drum
must be specified to 23.9 bar and 38˚C.
The gas needs to be compressed before splitting them into two streams. First stream is
mixed with the fresh feed of hydrogen, and second stream is used to control the temperature of
the reactor.
Methane liquid is needed to change phase and temperature in order to sell it in gas
phase. Benzene gas is needed to change phase and temperature in order to sell it in liquid form.
46
Figure 2.3 Flowsheet with temperature and phase change operations in Benzene production process.
47
2.1.5 STEP 5: TASK INTEGRATION
Figure 2.4 below illustrated the detailed of complete process flowsheet in production
of benzene from toluene and hydrogen gas.
Mixer 1: Pure feed of hydrogen are mixed with the hydrogen recycle from the Flash Drum 1.
The pressure from two inlet stream is same which is 26 bar.
Mixer 2: Pure feed of liquid toluene are also mixed with the toluene that recycle from the flash
drum 2.
Pump 1: The main use of this pump is to pump the mixer outlet stream of liquid toluene from
low pressure to the mixer before the inlet of heat exchanger since the liquid toluene component
is hard to be transported at atmospheric pressure.
Mixer 3: The mixer is used to mix the reactant of hydrogen gas and liquid toluene from the
outlet stream of both mixers. The pressure from two inlet stream is same which is 26 bar.
Heat Exchanger 1: The liquid toluene and hydrogen gas released from mixer 3 has low
temperature which is needed to be increased to 600℃ before reaching Furnace. The steam is
needed to heat up the stream into 163.9˚C.
Furnace 1: The furnace is used to heat up the reactant from very low temperature to high
temperature which is from 163.9℃ to 600℃ before entering the reactor. The product of toluene
and hydrogen is in gas form.
Reactor 1: The toluene gas and hydrogen gas are feed to the reactor. The production produce
are benzene, methane, unreacted toluene, and excess hydrogen. The process occurs at 617˚C
and 25 atm. The product then undergoes separation process by using flash drum. , this reactor
is a vertical vessel packed with catalyst. The conversion as the reaction only able to convert
about 90%.
Heat Exchanger 2: In order to separate the product and unreacted reactant, heat exchanger is
needed to reduce the temperature of the products from the reactor. Before entering the flash
drum, the products need to reduce the temperature in order to separate two different phases.
The outlet stream of this heat exchanger is 38˚C and 25 bar.
Flash Drum 1: The desired product is separated from the by-products and the unreacted
components. This is achieved by introducing the two-phase stream containing benzene,
methane, hydrogen and toluene into a high-pressure phase separator, Flash drum 1. In this flash
drum the vapor and liquid are separated. In the overhead mainly hydrogen and methane exit,
48
and in the bottom some hydrogen, methane, and mainly all the toluene and benzene exit. The
overhead stream is split into two streams; one stream is compressed to 24 bar in condenser 1
and to split the hydrogen ang methane gas. The separation happens at a temperature of 38˚C
and 24 bar.
Flash Drum 2: The partially separated stream is then introduced in a second separator which
is Flash Drum 2, where mainly all the liquid toluene and benzene gas is separated in the
overhead stream. This separator is a low-pressure separator. The liquid exiting the low-pressure
flash drum consist of mainly toluene. The gas stream is consisting of benzene in gas phase.
Condenser 1: The methane and hydrogen gas mixture leaves the flash drum at are high
temperature at 38 ℃, therefore it is needed to cool down below boiling point of sulphur to
change phase into liquid while leaving hydrogen in vapor form to allow separation of the
mixture.
Heat Exchanger 3: The hydrogen gas that coming out from condenser 1 in very low
temperature. In order to increase the temperature, heat exchanger is needed to heat up the
hydrogen gas from -138˚C to 45˚C with same pressure.
Compressor 1: The main use of this compressor is to increase the pressure outlet stream of
heat exchanger from low pressure to the splitter before the recycled and purging it.
Splitter 1: Hydrogen recycled that coming out from compressor 1 is going into splitter 1 to
purge some hydrogen gas that excess into the market.
Heat Exchanger 4: In order to sale the methane in gas form, heat exchanger is needed to
change the phase and temperature of the methane that coming out from condenser 1. The
methane outlet stream is for market in condition 25˚C and 24 bar.
Heat Exchanger 5: Benzene gas need to change into liquid benzene in order to sell to market.
Heat exchanger is used to change the phase and temperature of benzene. The benzene outlet
stream condition is 25˚C and 3 bar.
49
Figure 2.4 The complete process flowsheet of benzene production.
50
2.2.2 ALTERNATIVE 2
2.2.2.1 STEP 1: ELIMINATE DIFFERENCES IN MOLECULAR TYPE
2𝐶6 𝐻5 𝐶𝐻3 (𝑙) → 𝐶6 𝐻6 (𝑔) + 𝐶6 𝐻4 (𝐶𝐻3 )2 (𝑔)
Overall:
2𝐶6 𝐻5 𝐶𝐻3 (𝑙) → 𝐶6 𝐻6 (𝑔) + 𝐶6 𝐻4 (𝐶𝐻3 )2 (𝑔)
Reaction path 3 is similar to reaction path 2 in term of feed. Both of the reaction
involves with toluene and hydrogen gas at feed but the products are different for each of
reaction. For reaction path 3, hydrogen involved during the process only but not in the reaction
process. This is because hydrogen generally applied as a carrier gas for the reaction, it worked
to suppress cracking and to preserve the activity of the catalyst. This reaction path has been
carried out by using zeolite-based catalyst.
Advantages of reaction path 3 are it can produces high conversion of products, benzene
and xylene. About 99.99% of purity benzene can be obtained. In the reaction, it has low
consumption of hydrogen compared to dealkylation process. The disadvantage of reaction path
3 is it produces side product which is xylenes.
51
Table 2.10 Gross Profit (GP) for reaction path 3
Overall Chemical
C6H5CH3 C6H6 C6H4(CH3)2
Equation
kmol 2 1 1
Molecular Weight
92.14 78.11 106.16
(kg/kmol)
Weight 184.28 78.11 106.16
Weight/Weight
2.36 1.00 1.36
C6H6
Price (RM/kg) 2.10 2.26 2.15
Gross Profit
1.36(2.15) + 1(2.26) – 2.36(2.10) = 0.23
(RM/kg C6H6)
Table 2.4 shows the gross profit (GP) analysis for reaction path 3. The gross profit of
benzene is RM/kg 0.23 after considers the sales of products and the cost of the raw materials
involved.
52
2.2.2.2 STEP 2: DISTRIBUTE THE CHEMICALS BY MATCHING SOURCES AND
SINKS
It started with the toluene is feed to the reactor with presence of hydrogen gas. The
hydrogen: toluene ratio is about 1:1.5. The toluene will undergoes disproportionation process
with presence of hydrogen to produce benzene and xylene. The efficiency of toluene
conversion is basically about 42-48% per pass.
In order to perform 100,000 mt/yr of benzene, the data need to be considered from the
gross profit (GP) analysis of reaction path 3. For the reaction process, the amount of target
benzene is in term of metric per hour. From the (GP):
C6H6:
1.0 × 100,000𝑚𝑡/𝑦𝑟 = 100,000 𝑚𝑡/𝑦𝑟

100,000 × × = 13.0208 𝑚𝑡/ℎ𝑟
C6H4 (CH3)2:
1.36 × 100,000 𝑚𝑡/𝑦𝑟 = 136,000 𝑚𝑡/𝑦𝑟

136,000 × × = 17.7083𝑚𝑡/ℎ𝑟
C6H5CH3:
2.36 × 100,000𝑚𝑡/𝑦𝑟 = 236,000 𝑚𝑡/𝑦𝑟

236,000 × × = 30.7292 𝑚𝑡/ℎ𝑟
H2 obtained from the feed ratio:
1.5 𝑜𝑓 𝑡𝑜𝑙𝑢𝑒𝑛𝑒 30.7292 𝑚𝑡/ℎ𝑟
=
1.0 𝑜𝑓 ℎ𝑦𝑑𝑟𝑜𝑔𝑒𝑛 20.4861 𝑚𝑡/ℎ𝑟
48% of toluene conversion:
1 − 0.48
× (13.0208 + 17.7083) 𝑚𝑡/ℎ𝑟 = 33.2899 𝑚𝑡/ℎ𝑟
0.48
53
Recycled
Figure 2.5 Process flowsheet showing the distribution of chemicals.
54
2.2.2.3 STEP 3: ELIMINATE DIFFERENCES IN COMPOSITION
Based on the previous figure, it shown that the products produce from the reaction
process occurred in the reactor required a separation process. This is because the products
produce contained the target product, benzene and side product, xylene. It also contained
unreacted chemical, toluene which later can be recycled back to the reactor to fulfil the reaction.
The carrier gas, hydrogen also needs to be applied back at the reactor to assist the catalyst and
the process flow. Each of the products produces has different characteristics in term of boiling
point. Thus, there will be a few flash drum which will act to separate the vapour-liquid mixture
from each other. Based on the Table 2 below, it shows the boiling point of benzene, toluene,
xylene and other side chemicals with their phases at 1 atm.
Table 2.11 Boiling point and phases for the product components
Chemical Critical Temperature Boiling Point Phase at Room

(˚C) (˚C) Temperature
(25˚C, 1 atm)
Toluene 318.64 110.6 liquid
C5 - - 40 liquid
Benzene 289 80.1 liquid
Xylene 344 139 Liquid
C9 + - 140-200 liquid
The initial coking pre-treatment need to be done at high temperature and pressure before
the disproportionation took place. As the reaction occurs at high temperature and pressure, the
products produce is at high condition which to separate each of the chemical, it depends on the
boiling point of it. Thus, the flash drum is arranged in order by starting with C5- hydrocarbons,
Benzene, Toluene, Xylene and C9- aromatics components. The temperature involved here
started at 40˚C toward 139˚C.
55
Figure2.6 Process flowsheet including the separation operations for benzene production.
56
2.2.4 STEP 4: ELIMINATE DIFFERENCES IN TEMPERATURE, PRESSURE AND
PHASE
Figure 2.7 below shows the possible flowsheet that involves the differences and
changes occur at the temperature, pressure and phase. The operation can be defined as stated
below:
The toluene feed to the mixer with the recycled toluene at gas phase. Toluene started
with liquid phase at standard condition, 25˚C and 1 atm. The mixer condition is at 260˚C and
22 atm cause toluene to change phase toward gas.
The toluene has been fed to the reactor to undergo disproportionation process at 260 ˚C
and 22 atm. The products produce are at gas phases as it applies high temperature and pressure.
The product stream leaving the reactor is required to reduce its temperature until the boiling
point of C5- hydrocarbons to ensure separation occurs at the flash column. The other products
will have phase changes as the temperature and pressure drops. The first flash drum will
vaporize the C5- hydrocarbons and remains the others at liquid phase at 40˚C and 10 atm.
The output stream of first flash column will be increase the temperature and reduce the
pressure to change the phase for target product, benzene at 80˚C and 2 atm. The benzene will
vaporize at high percentage purity.
The output stream of second flash column will be increase the temperature again
toward 110.6˚C and pressure remain 2 atm to allow vaporization occurs at the flash column
which produces toluene in gas phase. Toluene at the gas phase will be recycled back to the
mixer at the feed. The pressure will be increasing to 22 atm as the toluene needs to be
pumped back to the feed.
The final flash column is to vaporize xylene from small amount of C9+ aromatics. The
output stream of flash column 3 need to increase the temperature until 139˚C while the
pressure until 5 atm as the output products needs to be pumped to the flash column.
57
Figure 2.7 Flowsheet of production of benzene with temperature and phase change operations process.
58
2.2.2.5 STEP 5: TASK INTEGRATION
Figure 2.8 below illustrated the detailed of complete process flowsheet in production
of benzene from toluene.
Pump 1: The toluene enters the reactor required to have higher pressure which is 22 atm.
Pump applies here to increase the pressure from 1 atm to 22 atm before enter the reactor.
Reboiler 1: The toluene feed to the reactor has low temperature, 25˚C. Reboiler 1 applies to
increase the temperature toward 260˚C to undergo the process. The steam is required to heat
up the stream.
Fixed-bed Reactor: The toluene is feed to the reactor with the presence of hydrogen as a
carrier gas. The production produce are benzene and xylene. The process occurs at 260˚C and
22 atm. The toluene is mixed with the recycled toluene to fulfil the conversion as the reaction
only able to convert about 48%.
Condenser 1: The outlet stream of reactor contains benzene and xylene. The products out at
high temperature, 260˚C, therefore it is needed to be cool down to boiling point of C5-
hydrocarbons to be removed from the process. It will cool until 40˚C and remain C5-
hydrocarbons at gas phase.
Expander 1: The pressure at the outlet stream of reactor is high and needed to be reducing to
enter the flash column. It applies to reduce the pressure from 22 atm to 10 atm to ensure the
process occurs at optimum condition.
Flash Column 1: It applies to separate the vapour of C5- hydrocarbons at 40˚C and 10 atm
from other products. The C5- hydrocarbons will be removed to market. The other components
are in liquid phase and remain in process for other separation process.
Expander 2: The pressure at output stream of flash column 1 is high. Thus, expander applies
here to reduce the pressure until 2 atm for optimum condition during other process reaction.
Reboiler 2: The temperature of output products is low. It applies here to increase the
temperature until the boiling point of target product, benzene at 80.1˚C. The steam is assisted
in the process to heat up the stream.
Flash Column 2: The product entering the flash column 2 to be separate between benzene
and others. The benzene will vaporize during process while others will continue the process
reaction. The benzene will be transfer to market for business purposes.
59
Reboiler 3: The outlet streams temperature is low for separate the toluene for others. Thus, it
applies here to increase the temperature until 110.6˚C which is the boiling point of toluene.
Flash Column 3: The toluene will be vaporize here and remains the xylene and others at the
bottom streams. The toluene here is the unreacted as the conversion is low. Thus, it will be
recycled back to the feed for fulfil the conversion process.
Compressor: The toluene from the top outlet stream has low pressure. It is needed to be
recycled back to the feed. Thus,compressor will assists in transferring the recycled streams to
the mixer before entering the reactor. The pressure will be increase from 2 atm to 22 atm.
Reboiler 4: The temperature for recycle stream is low. Thus, it applies here to increase the
temperature to 260˚C before enter the mixer. The toluene enter will combine with recycle
toluene at the mixer before been feed to the reactor.
Pump 3: The bottom stream of flash column 3 will be send to the pump to increase the
pressure into 5 atm. It to ensure the reaction undergoes at optimum condition.
Reboiler 5: The outlet stream temperature is low for vaporization of xylene. Thus, the
temperature will be increase until the boiling point of xylene which is 139˚C. Steam is
required here to heat up the stream.
Flash Column 4 : The products enter the column and the xylene will be vaporize here at the
top stream while the bottom stream will produces some C9+ aromatics as the boiling point is
higher than xylene. Both xylene and C9+ aromatics will be transfer to the market for business
purposes.
60
Figure 2.8 Final process flowsheet of production of benzene from toluene by disproportionation process.
61
2.2.3 JUSTIFICATION ON PROCESS FLOWSHEET SELECTION
Table 2.12 Comparison between Alternative 1 and Alternative 2

Criteria Alternative 1 Alternative 2
Flash Column
Separation unit of Flash Drum
-Expansive compared to
Benzene -Cheaper than Flash Column
flash drum
Hydrogen Supply Pure Hydrogen Hydrogen as a carrier gas
More energy required since
Energy Consumption Less energy required
it is use 4 flash columns
Reactor Conversion 90% 48%
From the above comparison table, it can be concluded that the first alternative is more
preferable compared to the second alternative. The reason why the first alternative is better
because of the cost and energy consumption needed is less. Thus, the first alternative is
selected.
62
2.2.4 INDICATION OF “RECYCLE, MARKET & DISPOSAL”.
To Market
Figure 2.9 Indication of “Recycle, Market and Disposal” in selected flowsheet.
63
2.2.5 HEURISTIC APPLICATION
2.2.5.1 RAW MATERIALS AND CHEMICAL REACTIONS
Heuristic 1: Select raw materials and chemical reactions to avoid, or reduce, the handling and
storage of hazardous and toxic chemicals.
Table 2.13 Proper ways to handle chemical that involve in this reaction.
Chemical Proper ways to handle

Keep toluene away from sources of heat or ignition. This chemical should be
stored in a tightly closed container in a dry, well-ventilated, and secure place,
Toluene
preferably one designed for the storage of flammable liquids. Toluene should
be kept away from incompatible materials, like oxidizing agents.
Always use regulators that have been designed to be used with hydrogen.
Never attempt to repair a regulator or force connections that do not readily fit
together. Avoid cracking hydrogen cylinder valves to remove dust or dirt from
Hydrogen fittings as this practice (though acceptable for other gases) could result to self-
ignition. Use leak-checking equipment to periodically check for hydrogen
leaks, eliminate from your lab as many ignition sources as possible during
manipulation of hydrogen gas.
In event of a spill or leak, immediately put on escape-type respirator and exit
the area. Eliminate heat and ignition sources such as sparks, open flames, hot
Benzene surfaces and static discharge. Post "No Smoking" signs. Prevent accidental
contact with incompatible chemicals. Avoid generating vapours or mists.
Keep containers tightly closed when not in use or empty.
Eliminate heat and ignition sources such as sparks, open flames, hot surfaces
and static discharge. Post "No Smoking" signs. If used in a confined space,
check for oxygen deficiency before worker entry and during work. Secure
Methane
cylinder in an up-right position. Protect cylinders from damage. Use a suitable
hand truck to move cylinders; do not drag, roll, slide, or drop. Prevent
accidental contact with incompatible chemicals.
64
2.2.5.2 SEPARATIONS
Heuristic 11: Separate vapor mixtures using partial condensers, condensers, cryogenic
distillation, absorption towers, adsorbers, and/or membrane devices.
Condenser is used to separate product from flash drum. The outlet stream is liquid
methane and hydrogen gas. Hydrogen gas is mixed with the pure hydrogen.
2.2.5.3 HEAT TRANSFER IN REACTORS
Heuristic 21: To remove a highly exothermic heat of reaction, consider the use of excess
reactant, an inert diluent, and cold shots. These affect the distribution of chemicals and should
be inserted early in process synthesis.
To achieve lower temperatures, toluene and hydrogen is used to absorb the heat.
Toluene and hydrogen are recovered from the flash drum and recirculated to the reaction
operation. Heat is removed in the flash drum.
2.2.5.4 PUMPING AND COMPRESSION
Heuristic 43: To increase the pressure of a stream, pump a liquid rather than compress a gas;
that is, condense a vapor, as long as refrigeration (and compression) is not needed, before
pumping.
The pump is used to increase the pressure of mix stream of toluene fresh feed and
recycled toluene from flash drum.
PROCESS ELABORATION
As discussed in the previous chapter, a process flow diagram has already been created
for Benzene manufacturing process through 5 synthesis steps. To ensure whether the process
would work under those operating conditions, a path selection have been made. From the path
selection, any cost and design from the proposed design can be detected and fixed.
65
2.4.1 MATERIAL BALANCE SUMMARY
Unit Operation Components Inlet Components Outlet Conversion

Flowrate Flowrate (%)
(ton/hr) (ton/hr)
H2 (g) 0.3385
Mixer 1 Recycled H2 0.0339 H2 (g) 0.3724 -
(g)
C7H8 (l) 15.3515 -
Mixer 2 Recycled C7H8 1.7433 C7H8 (l) 17.0948
(l)
H2 (g) 0.3724 H2 (g) 0.3724 -
Mixer 3
C7H8 (l) 17.0948 C7H8 (l) 17.0948 -
Heat H2 (g) 0.3724 H2 (g) 0.3724 -
Exchanger 1 C7H8 (l) 17.0948 C7H8 (g) 17.0948 -
H2 (g) 0.3724 H2 (g) 0.3724 -
Furnace
C7H8 (g) 17.0948 C7H8 (g) 17.0948 -
H2 (g) 0.3724 H2 (g) 0.0380
C7H8 (g) 1.7433
Reactor 89.8
CH4 (g) 2.6693
C7H8 (g) 17.0948
C6H6 (g) 13.0208
H2 (g) 0.0380 H2 (g) 0.0380 -
Heat C7H8 (g) 1.7433 C7H8 (l) 1.7433 -
Exchanger 2 CH4 (g) 2.6693 CH4 (g) 2.6693 -
C6H6 (g) 13.0208 C6H6 (l) 13.0208 -
H2 (g) 0.0380 H2 (g) 0.0380 -
C7H8 (l) 1.7433 C7H8 (l) 1.7433 -
Flash Drum 1
CH4 (g) 2.6693 CH4 (g) 2.6693 -
C6H6 (l) 13.0208 C6H6 (l) 13.0208 -
Recycled
C7H8 (l) 1.7433 1.7433
Flash Drum 2 C7H8 (l) -
C6H6 (l) 13.0208 C6H6 (l) 13.0208
66
Recycled H2
H2 (g) 0.0380 0.0380 -
Condenser (g)
CH4 (g) 2.6693 CH4 (g) 2.6693 -
Heat Recycled H2 Recycled H2
0.0380 0.0380 -
Exchanger 3 (g) (g)
Recycled H2 0.0380 Recycled H2 0.0380 -
Compressor
(g) (g)
Pump C7H8 (l) 17.0948 C7H8 (l) 17.0948 -
Recycled H2 0.0380 Recycled H2 0.0339 -
(g) (g)
Splitter
Purging H2 0.0041
(g)
Heat CH4 (g) 2.6693 CH4 (l) 2.6693 -
Exchanger 4
Heat -
C6H6 (l) 13.0208 C6H6 (g) 13.0208
Exchanger 5
67
2.4.2 ENERGY BALANCE COMPARISON
Unit Component Inlet Components Outlet Conversion Heat Energy

Operation s Flowrate Flowrate (%) Absorbed/Released
(ton/hr) (ton/hr) (J/hr)
H2 (g) 0.3385 -
Mixer 1 Recycled 0.0339 H2 (g) 0.3724 -
H2 (g)
C7H8 (l) 15.3515 - -
Mixer 2 Recycled 1.7433 C7H8 (l) 17.0948
C7H8 (l)
H2 (g) 0.3724 H2 (g) 0.3724 - -
Mixer 3
C7H8 (l) 17.0948 C7H8 (l) 17.0948 -
Heat H2 (g) 0.3724 H2 (g) 0.3724 - 4.0839 x 10^8
Exchanger 1 C7H8 (l) 17.0948 C7H8 (g) 17.0948 -
H2 (g) 0.3724 H2 (g) 0.3724 - 2.2575 x 10^10
Furnace
C7H8 (g) 17.0948 C7H8 (g) 17.0948 -
H2 (g) 0.3724 H2 (g) 0.0380 -6.9656 x 10^9
C7H8 (g) 1.7433
Reactor 89.8
CH4 (g) 2.6693
C7H8 (g) 17.0948
C6H6 (g) 13.0208
H2 (g) 0.0380 H2 (g) 0.0380 - -2.3451 x 10^10
Heat C7H8 (g) 1.7433 C7H8 (l) 1.7433 -
C6H6 (g) 13.0208 C6H6 (l) 13.0208 -
H2 (g) 0.0380 H2 (g) 0.0380 - -
Flash Drum C7H8 (l) 1.7433 C7H8 (l) 1.7433 -
1 CH4 (g) 2.6693 CH4 (g) 2.6693 -
C6H6 (l) 13.0208 C6H6 (l) 13.0208 -
Recycled -
Flash Drum C7H8 (l) 1.7433 1.7433
C7H8 (l) -
2
C6H6 (l) 13.0208 C6H6 (l) 13.0208
68
Recycled H2 -9.5720 x 10^7
H2 (g) 0.0380 0.0380 -
Condenser (g)
CH4 (g) 2.6693 CH4 (g) 2.6693 -
Heat Recycled Recycled H2 9.9525 x 10^7
0.0380 0.0380 -
Exchanger 3 H2 (g) (g)
Recycled 0.0380 Recycled H2 0.0380 - 7.6988 x 10^3
Compressor
H2 (g) (g)
Pump C7H8 (l) 17.0948 C7H8 (l) 17.0948 - 4.7186 x 10^7
Recycled 0.0380 Recycled H2 0.0339 - -
Splitter
H2 (g) (g)
Heat CH4 (g) 2.6693 CH4 (l) 2.6693 - 2.0180 x 10^9
Exchanger 4
Heat - -6.6683 x 10^9
C6H6 (l) 13.0208 C6H6 (g) 13.0208
Exchanger 5
69
CHAPTER 3
PROCESS SIMULATION, HEAT INTEGRATION, AND PROCESS

OPTIMISATION
3.1 PROCESS SIMULATION
As discussed in the previous chapter, a process flow diagram has already been created
for Sulphuric Acid manufacturing process through Rudd, Powers, and Sirolla synthesis steps.
To ensure whether the process would work under those operating conditions, a simulation is
needed as an evaluation tool. From the simulation, any errors and deviation from the proposed
design can be detected and fixed. The software used to run the simulation is Aspen HYSIS by
AspenTech software.
3.1.1 MATERIAL BALANCE COMPARISON
To ensure that the manual calculation is accurate, the mass flow rates obtained from the
calculation have to be compared to the flow rates calculated by Aspen HYSIS simulation. The
following table compares the flow rates in each stream in each unit operation involved.
The calculation for percentage of error is:
Based on the material balance comparison between the manual calculation and the
aspen calculation, there are no error since all the calculation for aspen and manual is same. It
might have a little bit error which are smaller than 1%. So, it is negligible in this calculation.
70
Unit Components Inlet Inlet Flowrate Percentage Components Outlet Outlet Percentage Conversion
Operation Flowrate (ton/hr) Error Flowrate Flowrate Error (%)
(ton/hr) (Aspen (%) (ton/hr) (ton/hr) (%)
Simulation) (Aspen
Simulation)
H2 (g) 0.3385 0.3385 0
Mixer 1 H2 (g) 0.3724 0.37235 0 -
Recycled H2 (g) 0.0339 0.03385 0
C7H8 (l) 15.3515 15.3515 0 -
Mixer 2 C7H8 (l) 17.0948 17.0948 0
Recycled C7H8 (l) 1.7433 1.7433 0
H2 (g) 0.3724 0.37235 0 H2 (g) 0.3724 0.37235 0 -
Mixer 3
C7H8 (l) 17.0948 17.0948 0 C7H8 (l) 17.0948 17.0948 0 -
Heat H2 (g) 0.3724 0.37235 0 H2 (g) 0.3724 0.37235 0 -
Exchanger 1 C7H8 (l) 17.0948 17.0948 0 C7H8 (g) 17.0948 17.0948 0 -
H2 (g) 0.3724 0.37235 0 H2 (g) 0.3724 0.37235 0 -
Furnace
C7H8 (g) 17.0948 17.0948 0 C7H8 (g) 17.0948 17.0948 0 -
H2 (g) 0.3724 H2 (g) 0.0380 0.038 0
0.4167 0
C7H8 (g) 1.7433 1.743 0
Reactor 89.8
CH4 (g) 2.6693 2.6693 0
C7H8 (g) 17.0948 17.0948 0
C6H6 (g) 13.0208 13.0208 0
H2 (g) 0.0380 0.038 0 H2 (g) 0.0380 0.038 0 -
Heat C7H8 (g) 1.7433 1.743 0 C7H8 (l) 1.7433 1.743 0 -
Exchanger 2 CH4 (g) 2.6693 2.6693 0 CH4 (g) 2.6693 2.6693 0 -
C6H6 (g) 13.0208 13.0208 0 C6H6 (l) 13.0208 13.0208 0 -
H2 (g) 0.0380 0.038 0 H2 (g) 0.0380 0.038 0 -
C7H8 (l) 1.7433 1.743 0 C7H8 (l) 1.7433 1.743 0 -
Flash Drum 1
CH4 (g) 2.6693 2.6693 0 CH4 (g) 2.6693 2.6693 0 -
C6H6 (l) 13.0208 13.0208 0 C6H6 (l) 13.0208 13.0208 0 -
Recycled C7H8
C7H8 (l) 1.7433 2.3671 0 1.7433 1.7433 0
Flash Drum 2 (l) -
C6H6 (l) 13.0208 5.6141 0 C6H6 (l) 13.0208 13.0208 0
H2 (g) 0.0380 0.0380 0 Recycled H2 (g) 0.0380 0.0380 0 -
Condenser
CH4 (g) 2.6693 2.6693 0 CH4 (g) 2.6693 2.6693 0 -
71
Heat 0.038 0 0.038 0
Recycled H2 (g) 0.0380 Recycled H2 (g) 0.0380 -
Exchanger 3
Compressor Recycled H2 (g) 0.0380 0.038 0 Recycled H2 (g) 0.0380 0.038 0 -
Pump C7H8 (l) 17.0948 17.0948 0 C7H8 (l) 17.0948 17.0948 0 -
Recycled H2 (g) 0.0380 0.038 0 Recycled H2 (g) 0.0339 0.3385 0 -
Splitter
Purging H2 (g) 0.0041 0.0041 0
Heat CH4 (g) 2.6693 2.6693 0 CH4 (l) 2.6693 2.6693 0 -
Exchanger 4
Heat 13.0208 0 13.0208 0 -
C6H6 (l) 13.0208 C6H6 (g) 13.0208
Exchanger 5
72
3.1.2 ENERGY BALANCE COMPARISON
Similar to the material balance, manually calculated energy duty also needs to be
compared to the duty calculated by simulator. The following table compares the energy balance
in each stream in each unit operation as well. The calculation for percentage of error is:
Most of the calculation have errors but the most significant errors are found on the
heater 1. The percentage errors are more than 50%. The actual energy release by the reaction
in the heater is greater than the amount of energy calculated manually. There might be some
parameters that are missed or not considered in the manual calculation that might cause
deviation on the amount of the energy calculated from the actual amount of energy released by
the reactor. The same goes to the calculation regarding the amount of energy released or
absorbed by the other unit operations.
73
Unit Components Inlet Components Outlet Conversion Heat Energy Heat Energy Error (%)
Operation Flowrate Flowrate (%) Absorbed/Release Absorbed/Released
(ton/hr) (ton/hr) d (J/hr) (J/hr)
(Aspen Simulation)
H2 (g) 0.3385 - - -
Mixer 1 H2 (g) 0.3724 -
Recycled H2 (g) 0.0339
C7H8 (l) 15.3515 - - - -
Mixer 2 C7H8 (l) 17.0948
Recycled C7H8 (l) 1.7433
H2 (g) 0.3724 H2 (g) 0.3724 - - - -
Mixer 3
C7H8 (l) 17.0948 C7H8 (l) 17.0948 -
Heat H2 (g) 0.3724 H2 (g) 0.3724 - 4.0839 x 10^8 2.548 x 10^9
Exchanger 1 83.97
C7H8 (l) 17.0948 C7H8 (g) 17.0948 -
H2 (g) 0.3724 H2 (g) 0.3724 - 2.2575 x 10^10 2.416 x 10^10 6.56
Furnace
C7H8 (g) 17.0948 C7H8 (g) 17.0948 -
H2 (g) 0.3724 H2 (g) 0.0380 -6.9656 x 10^9 -7.3775 x 10^9 -
C7H8 (g) 1.7433
Reactor 89.8
CH4 (g) 2.6693
C7H8 (g) 17.0948
C6H6 (g) 13.0208
H2 (g) 0.0380 H2 (g) 0.0380 - -2.3451 x 10^10 -3.079 x 10^10 23.84
Heat C7H8 (g) 1.7433 C7H8 (l) 1.7433 -
C6H6 (g) 13.0208 C6H6 (l) 13.0208 -
H2 (g) 0.0380 H2 (g) 0.0380 - - - -
Flash Drum C7H8 (l) 1.7433 C7H8 (l) 1.7433 -
1 CH4 (g) 2.6693 CH4 (g) 2.6693 -
C6H6 (l) 13.0208 C6H6 (l) 13.0208 -
Recycled - - -
Flash Drum C7H8 (l) 1.7433 1.7433
C7H8 (l) -
2
C6H6 (l) 13.0208 C6H6 (l) 13.0208
Recycled H2 -9.5720 x 10^7 -9.9765 x 10^7 4.05
Condenser H2 (g) 0.0380 0.0380 -
(g)
74
CH4 (g) 2.6693 CH4 (g) 2.6693 -
Heat Recycled H2 9.9525 x 10^7 1.0783 x 10^8 7.71
Recycled H2 (g) 0.0380 0.0380 -
Exchanger 3 (g)
Recycled H2 (g) 0.0380 Recycled H2 0.0380 - 7.6988 x 10^3 8.323 x 10^3 7.5
Compressor
(g)
Pump C7H8 (l) 17.0948 C7H8 (l) 17.0948 - 4.7186 x 10^7 5.589 x 10^7 15.57
Recycled H2 (g) 0.0380 Recycled H2 0.0339 - - - -
Splitter
(g)
Heat CH4 (g) 2.6693 CH4 (l) 2.6693 - 2.0180 x 10^9 2.245 x10^9 10.11
Exchanger 4
Heat - -6.6683 x 10^9 -6.834 x 10^9 2.42
C6H6 (l) 13.0208 C6H6 (g) 13.0208
Exchanger 5
75
3.2 PROCESS HEAT INTEGRATION
3.2.1 PINCH TECHNOLOGY ANALYSIS
Pinch technology analysis (PTA) is a methodology for minimising energy consumption

of chemical processes by calculating thermodynamically feasible energy targets, or minimum
energy consumption, and achieving them by optimising heat recovery systems, energy supply
methods and process operating conditions. By using the thermal data extracted shown in Table,
the process energy targets could be obtained from Problem Table Algorithm.
3.2.1.1 CONCEPT OF PROBLEM TABLE ALGORITHM
ΔTmin value is a parameter that must be set before proceeding to this approach.
Approaching to Linnhoff March’s application experience, the typical ΔTmin values for several
types of processes, including oil refining, petrochemical, chemical and low temperature
processes, are described in the table below.
Table 3.1 ΔTmin values based on previous experience for various types of processes.
Industrial Sector Experience ΔTmin value (˚C)

Oil Refining 20-40
Petrochemical 10-20
Chemical 10-20
Low Temperature Process 3-5
Since the production of toluene is a chemical industry, the ΔTmin was set to be 10˚C for
this toluene production process.
76
3.2.1.2 DATA EXTRACTION
After simulating by ASPEN HYSYS, the thermal data that required to use in pinch
analysis are extracted based on the process flow diagram of the plant. Then, the heat capacity
flow rate (FCp) for each stream was calculated by using equation below. There are two type of
stream which are hot stream and cold stream. For hot stream, it means that stream that need to
undergo cooling process while for cold stream means that stream that need to undergo heating
process.
For cold stream,

∆𝐻
𝐹𝑐𝑝 =
𝑇𝑡𝑎𝑟𝑔𝑒𝑡 − 𝑇𝑠𝑢𝑝𝑝𝑙𝑦
For hot stream,
∆𝐻
𝐹𝑐𝑝 =
𝑇𝑠𝑢𝑝𝑝𝑙𝑦 − 𝑇𝑡𝑎𝑟𝑔𝑒𝑡
3.2.2 PROBLEM TABLE ALGORITHM (PTA)
Table 3.4 below shown the data of each stream and shifted temperature by considering the
condition ∆Tmin at 10 ºC. Then, these data will be used in the problem table algorithm in order
to obtain the feasible pinch temperature and also the minimum heating and cooling
requirements for the plant that shown in the Table 3.3.
Table 3.2 Stream Table and Shifted Temperature (∆Tmin = 10ºC)

Stream Tsupply (˚C) Ttarget (˚C) ∆H (MW) Fcp T’supply T’target (˚C)
(MW/ ˚C) (˚C)
C1 25.26 100 0.7078 0.0095 30.26 105
C2 -190 25 0.6569 0.0031 -185 30
C3 49.16 150 2.0342 0.0202 54.16 155
C4 37.78 50 0.078 0.0064 42.78 55
H1 725.2 38 8.553 0.0124 720.2 33
H2 80 25 1.2269 0.0223 75 20
77
H3 37.78 -190 0.6236 0.0027 32.78 -195
H4 110.5 25 0.1898 0.0022 105.5 20
Based on Table 3.2, it shows that at the infeasible heat cascade, the largest negative
heat flow is 0 MW. Therefore, this amount of heat is taken into the new cascade in order to
make it feasible and obtain the pinch point. Then, it shows that the pinch point is located at
720.2 ºC. The pinch temperature for hot stream is 725.2 ºC while the pinch temperature for
cold stream is 715.5 ºC. The minimum heating requirement, QHmin obtained from PTA is 0
MW while the minimum cooling requirement, QCmin obtained from PTA is 7.05918 MW.
The purpose of the pinch analysis is to calculate the large amount of utility depending
on the pinch point of the process and thereby minimise the running costs of the process. Centred
on the problem table algorithm, the percentage of energy recovery for heating and cooling can
be determined as follows:
Heating utility before Pinch = (0.7078 + 0.6569 + 2.0342 + 0.078)

= 3.4769 MW
Cooling utility before Pinch = (8.553 + 1.2269 + 0.6236 + 0.1898)
= 10.5933 MW
(3.4769−0)
% Saving for heating = × 100%
3.4769
= 100 %
(10.5933−7.05918)
% Saving for cooling = × 100%
10.5933
= 33.36 %
78
Figure 3.1 Problem Table Algorithm (PTA)
Sum
FCp 0.0095 0.0031 0.0202 0.0064 0.0124 0.0223 0.0027 0.0022 FCp(Hot) Cum Cum
H
- Sum H H'
T' DT C1 C2 C3 C4 H1 H2 H3 H4 FCp(Cold)
720.2 0.00 0.00 QHmin
565.2 0.0124 0.0124 7.008
155 7.01 7.01
49.5 0.0202 0.0124 -0.0078 -0.386
105.5 6.62 6.62
0.5 0.0202 0.0124 0.0022 -0.0056 -0.003
105 6.62 6.62
0.0095
30 0.0202 0.0124 0.0022 -0.0151 -0.453
75 6.17 6.17
20 0.0095 0.0202 0.0124 0.0223 0.0022 0.0072 0.144
55 6.31 6.31
0.84 0.0095 0.0202 0.0064 0.0124 0.0223 0.0022 0.0008 0.001
54.16 6.31 6.31
11.38 0.0095 0.0064 0.0124 0.0223 0.0022 0.0210 0.239
42.78 6.55 6.55
9.78 0.0095 0.0124 0.0223 0.0022 0.0274 0.268
33 6.82 6.82
0.22 0.0095 0.0223 0.0022 0.0150 0.003
32.78 6.82 6.82
2.52 0.0095 0.0223 0.0027 0.0022 0.0177 0.045
30.26 6.87 6.87
0.26 0.0223 0.0027 0.0022 0.0272 0.007
30 6.87 6.87
10 0.0031 0.0223 0.0027 0.0022 0.0241 0.241
20 7.11 7.11
79
205 0.0031 0.0027 -0.0004 -0.082
-185 7.03 7.03
10 0.0027 0.0027 0.027
-195 7.06 7.06 QCmin
Table 3.3 Data Required from Heat Integration

The minimum hot utility target (QH min) 0 MW
The minimum cold utility target (QC min) 7.05918 MW
Hot pinch temperature (Tpinch hot) 725.2 ˚C
Cold pinch temperature (Tpinch cold) 720.2 ˚C
The hot utility before heat integration (QH initial) 3.4769 MW
The cold utility before heat integration (QC initial) 10.5933 MW
The hot utility reduction 100%
The cold utility reduction 33.36%
80
3.2.3 HEAT EXCHANGER NETWORK
Figure 3.2 Grid diagram for heat exchanger network
TPINCH Feasible Feasible Feasible Feasible Feasible Feasible Fcp ∆H, MW
7.710812 6.949288
725.2 H1 0.0124 8.52128
2 5 6 C
38
1
725.2 H2 0.0223 1.2265

1
80 25
725.2 H3 4 0.0027 0.615006

37.78 -190
0.109892
725.2 H4 3 C 0.0022 0.1881
110.5 C 25
715.2 C1 0.0095 0.71003

100 25.26
0.71003
715.2 C2 0.0031 0.6665
25 -190
0.615006 0.051494
715.2 C3 0.0202 2.036968
150 49.16
1.2265 0.810468
715.2 C4 0.0064 0.078208
50 37.78
0.078208
81
Based on Figure 3.2, it shows that there is only external heating exists in below pinch.
However, the heat exchanger matches six pairs of hot streams to exchange the heat and there
is 2 external cooling utilities used for the below pinch. It can be said that heat exchanger
network is valid since the minimum heating and cooling requirements obtained from HEN is
similar to the heat cascade. The next step is to update the process flow diagram with the heat
exchanger network (HEN) that designed in a feasible condition.
82
3.2.4 REVISED PROCESS FLOW DIAGRAM
Figure 3.3 Revised process flow diagram after heat integration
83
3.3 PROCESS OPTIMIZATION
Optimization of chemical processes is a difficult task. The aim of this work is to analyze
and synthesize successful approaches that when faced with optimization problems. The
chemical process engineer may use the suitable approaches in order to solve out the
optimization problem. Optimization generally improves any process which is common aim
was to increase the effectiveness or maximize the economic potential of a process.
Improvements made to the method through the optimization are usually calculated in
terms of objective function. Objective functions most often include units of dollars because the
aim of any industrial chemical process is always to be profitable. The objective function
depends on adjustments in the decision variables, the variables over which the engineer has the
responsibility.
Topological and parametric are the two most common approaches to optimization of a
chemical process, although generally used simultaneously. The topological approach concerns
the physical layout of the plant. Parametric optimization involves the manipulation of process
variables, such as the flow rate of reactant to get the maximize of the product to get the high
profit in selling the product.
The objectives of each method are the same within the defined constraints, we have to
maximize the profitability of a process. All process optimization problems start with the base
case. A plain flowsheet, a comprehensive design, or most generally, a method that is already in
place and needs to be changed, can be the base case.
3.3.1 SPECIFICATION AND ASSUMPTION
To optimize a chemical process, a problem has to be defined. In this case study, we have
determined one of the problems (constrain) which is the amount of the reactant (Toluene) in
order to produce the Benzene. The objective for this optimization is to reduce the cost which is
84
the amount of reactant (Toluene) use and maximize the amount of product (Benzene). In
this process, there are two side product which can sold at the marketplace which are Hydrogen
and Methane. Table below show the assumption that made in this process.
Table 3.4 Variables in Optimization Process
Stoichiometric
Mole Flowrate
Coefficient (kg/kg Cost (RM/kmol)
(kmol/hr)
Benzene)
Toluene 1.18 166.61 193.49
Methane 0.21 125.95 75.55
Hydrogen 0.03 16.82 6.65
Benzene 1.0 116.10 176.53
Assumptions:
1. All calculations are done in basis of hour.

2. Energy for subsequent separation synthesis was not taken into consideration.
3.3.2 DEFINING DECISION VARIABLE
The decision variables for this process optimization are:
1. Mole flowrate of Toluene, T (kmol/hr)

2. Mole flowrate of Methane, M (kmol/hr)
3. Mole flowrate of Hydrogen, H (kmol/hr)
4. Mole flowrate of Benzene, B (kmol/hr)
85
3.3.3 DEFINING OBJECTIVE FUNCTION
The objective for this process optimization is to increase the amount of product selling
by reducing the cost of the reactants used. Therefore, an equation was constructed to express
the objective function.
𝑍𝑚𝑎𝑥 = 75.5𝑀 + 6.65𝐻 + 176.53𝐵 − 193.49
3.3.4 DEFINING EQUALITY AND INEQUALITY CONSTRAINTS
1. Equality Constraints
T ≤ 166.61
B ≥ 116.10
2. Inequality Constraints
T = 1.18B
M = 0.21B
H = 0.03B
3. Non-Equality Constraints
T, M, H and B ≥ 0
3.3.5 OPTIMIZATION METHOD AND RESULT
In this process optimization, we use Excel Solver tool. Figure below shows the result
that we get from the Excel Solver tool.
86
Figure 3.4 Result from the Excel Solver Tool
From the figure above, to maximize our profit, the flow rate of Toluene is 166.61
kmol/hr , flow rate of Methane is 125.95kmol/hr , flow rate of hydrogen should 3.483kmol/hr
and flow rate of Benzene is 129.437 kmol/hr. So, the profit that we will get is RM15082.9 per
hour.
87
CHAPTER 4
EQUIPMENT SIZING AND COSTING
4.1 INTRODUCTION
Equipment sizing and costing calculations are the final steps to complete a plant design.
Chemical engineers who responsible for the plant design required to carry out these steps to
determine the economic feasibility and the profitability of the plant.
For the equipment sizing stage, sizing calculations are performed based on fundamental
design knowledge. Assumptions are made on the equipment specifications. While for the
equipment costing stage, equipment purchasing costs and bare-module costs (CBM) are
estimated based on the size factors of each equipment. CBM is needed for total capital
investment (CTCI) estimation of acetone production plant. Different types of equipment require
different sizing calculations and costing equations to determine the free-on-board (f.o.b)
purchase costs, CP.
All purchase costs are required to be adjusted according to the current Chemical Engineering
(CE) index for determination of the fluidity of money values over the years.
Base Cost Index = 567 (in 2013)

Present Cost Index = 619.2 (in January 2019)
There are unit operations in the benzene production plant. Equations used in sizing and
costing calculation referred to Product and Process Design Principles, 4th edition. All the unit
operations are listed as shown in table below.
Table 4.1 Benzene Production Equipment Lists

Equipment Units Description
Reactor 1 Conversion Reactor
88
Furnace 1 -
Heat Exchanger 6 -
Heating and Cooling Utilities 2 2 Cooler
Pump and Motors 1 1 Pump
Pressure Vessels and Tower 4 3 Flash Drum & 1 Distillation Column
4.2 EQUIPMENT SIZING AND COSTING
4.2.1 REACTOR
4.2.1.1 CONVERSION REACTOR
Equipment Specification Sheet

Item No. Reactor
Identification Reactor
Process Specification & Operating Condition
Inlet Molar Flowrate 3292 kmol/hr
Temperature, T 600 ˚C / 873.15K
Operating Pressure, P 25.17 atm / 369.897 psig
Residence time, τ 15.4 s
Equipment Properties
Bare-module Factor, FBM 3.05
Material of Construction Stainless Steel
Material Factor, FM 1.70
Diameter, D 5.6476 ft
Length, L 11.2953 ft
Design Pressure, DP 436.2512 psig
Weight, W 15220.4116 lb
Cost for Cooler
f.o.b. Total Purchase Cost, CP USD 112,476.99
89
Bare-Module Cost, CBM USD 343,054.83
SIZING CALCULATION
Density of catalyst determination by using Ideal gas law (PVT equation)

𝑃𝑉 𝑛𝑇
=
𝑃𝑆 𝑉𝑆 𝑛𝑆 𝑇𝑆
𝑛 𝑛𝑆 𝑃𝑇
𝜌= =
𝑉 𝑃𝑆 𝑉𝑆 𝑇
25.17 𝑎𝑡𝑚 1 273.15𝐾
𝜌 = 1𝑚𝑜𝑙𝑒 × × 3
×
1 𝑎𝑡𝑚 0.0224 𝑚 873.15𝐾
= 351.5180 mol/m3
Determination of volume of catalyst

𝜇𝜏
𝑉𝑐𝑎𝑡 =
𝜌
329.2 kmol 𝑚3 1000 𝑚𝑜𝑙 ℎ𝑟
𝑉𝑐𝑎𝑡 = × 15.4𝑠 × × ×
ℎ𝑟 351.5180 mol 𝑘𝑚𝑜𝑙 3600 𝑠
= 4.0062 m3
Determination of volume of reactor

𝑉 = 2𝑉𝑐𝑎𝑡
= 2(4.0062)
= 8.0124 m3
Determination of diameter and length of the reactor

Assume L/D=2
𝜋𝐷2
𝑉=( )×𝐿
4
𝜋𝐷2
𝑉=( ) × 2𝐷
4
𝜋𝐷3
𝑉=( )
2
90
By substituting V=8.0124 m3 into equation above,
D = 1.7214 m
L = 3.4428 m
COSTING CALCULATION
Determination of design pressure
Pd = exp [0.60608 + 0.91615(ln P) + 0.0015655(ln P)2]

= exp [0.60608 + 0.91615(ln 369.897) + 0.0015655(ln 369.897)2]
= 436.2512 psig
Determination of wall thickness to withstand the internal pressure by using equation

16.60
436.2512 × 5.6476 × 12
𝑡𝑃 =
(2 × 15000 × 0.85) − (1.2 × 436.2512)
= 1.1837
tS = 1.1837 + 0.125 = 1.3087 inch
Determination of weight of reactor by using equation 16.59

W = π (5.6476 + 1.3087x0.083) (11.2953 + 0.8(5.6476)) x (1.3087x0.083x490)
= 15220.4116 lb
Determination of Cv by using 22.53 and CPL by using equation 16.55

Cv = exp [8.9552 – 0.233*(ln 15220.4116) + 0.04333(ln 15220.4116)2]
= 45576.7847
CPL = 2005(5.6476)0.20294
= 2849.0341
91
Determination of Purchase cost by using equation 16.52
CP = (570.6/500) (2.1*45576.7847+ 2849.0341)
= $ 112,476.99
Determination of bare module cost

CBM = 3.05x112,476.99
= $ 343,054.83
4.2.2 HEAT EXCHANGER
4.2.2.1 HEAT EXCHANGER 1

Item No. HEX-01
Identification Heat Exchanger
Function Exchange heat of hot stream and cold stream
Heat Duty, Q 1.2265 MW / 4184991.713 Btu/hr
Stream Hot Stream (H2) Cold Stream (C3)
Inlet Temperature, Tin 80˚C / 176 ˚F 49.16 ˚C / 120.488 ˚F
Outlet Temperature, Tout 25 ˚C / 77 ˚F 109.88 ˚C / 229.784 ˚F
Overall Heat Transfer
200 Btu / (˚F-ft2-hr)
Coefficient, U
Type Floating Head
No. of Shell and Tubes Passes 2 Shells 4 Pass
Tube Arrangement Horizontal
Shell Stainless Steel
Material of Construction
Tube Stainless Steel
Heat Transfer Area, A 431.854 ft2
Number Tubes, Nt 167 tubes
92
Pressure Factor, Fp 1.0398
Cost for Cooler
Base Cost, CB USD 23,437.56
SIZING CALCULATION
Find log mean temperature, ΔTLM by using equation (12.3).

∆𝑇1 − ∆𝑇2 (176 − 229.784) − (77 − 120.488)
∆𝑇𝐿𝑀 = =
∆𝑇 176 − 229.784
ln (∆𝑇1 ) ln [ 77 − 120.488 ]
2
= 48.4538 ˚F
Calculate correction factor, FT by using equation (12.4), with an assumption of ONE heat
exchanger shell pass. Before that, find R and S by using equation (12.5) and equation
(12.6) respectively.
𝑇ℎ𝑜𝑡 𝑖𝑛 − 𝑇ℎ𝑜𝑡 𝑜𝑢𝑡 176 − 77

𝑅= =
𝑇𝑐𝑜𝑙𝑑 𝑜𝑢𝑡 − 𝑇𝑐𝑜𝑙𝑑 𝑖𝑛 229.784 − 120.488
= 0.9058
𝑇𝑐𝑜𝑙𝑑 𝑜𝑢𝑡 − 𝑇𝑐𝑜𝑙𝑑 𝑖𝑛 176 − 77
𝑆= =
𝑇ℎ𝑜𝑡 𝑖𝑛 − 𝑇ℎ𝑜𝑡 𝑜𝑢𝑡 229.784 − 120.488
= 1.104
Substitution of R and S in equation (12.4) results in a math error. This means that an
effective heat exchange using a single-shell heat exchanger is practically impossible. Hereby,
we presume that several shell passes are used, with an FT value of 1.0.
Calculate heat transfer area, A, by using equation (12.7).
𝑄 = 𝑈𝐴𝐹𝑇 ∆𝑇𝐿𝑀
93
4184991.713
𝐴=
200 × 1 × 48.4538
= 431.854 ft2
Since the heat transfer area is greater than 100 ft2, therefore shell and tube heat exchanger is
used.
Calculate area per tubes based on Heuristic 54.
Based on Heuristic 54, for shell and tube heat exchangers, the tubes are usually 0.75 in
O.D., 16 ft long and 1-in triangular spacing. Thus, by referring to Table 12.4, the I.D. It’s 0.620
in for 16 BWGs.
1
𝐴𝑟𝑒𝑎 𝑝𝑒𝑟 𝑡𝑢𝑏𝑒 = 𝜋𝐷𝑖 𝐿 = 𝜋 × (0.62 × ) × 16
12
= 2.5970 ft2/tube
Calculate number of tubes required.
𝑡𝑜𝑡𝑎𝑙 ℎ𝑒𝑎𝑡 𝑡𝑟𝑎𝑛𝑠𝑓𝑒𝑟 𝑎𝑟𝑒𝑎 431.854

𝑁𝑡 = =
𝑎𝑟𝑒𝑎 𝑝𝑒𝑟 𝑡𝑢𝑏𝑒 2.5970
𝑁𝑡 = 166.2896 ≈ 167 𝑡𝑢𝑏𝑒𝑠
COSTING CALCULATION
Calculate base cost, CB by using eqn. (16.39).
𝐶𝐵 = exp {12.0310 − 0.8709[ln(𝐴)] + 0.09005[ln(𝐴)]2 }
𝐶𝐵 = exp {12.0310 − 0.8709[ln(431.854 ) + 0.09005[ln(431.854 )]2 }
CB = $ 23437.56
94
Determine material factor, FM by using equation (16.44), Pressure factor, FP and tube-
length correction, FL.
𝐴 𝑏 431.854 0.07
𝐹𝑀 = 𝑎 + ( ) = 2.70 + ( )
100 100
FM = 3.8078
𝑃 𝑃 2
𝐹𝑃 = 0.9803 + 0.018 ( ) + 0.0017 ( )
100 100
264.527 24.527 2
𝐹𝑃 = 0.9803 + 0.018 ( ) + 0.0017 ( )
100 100
Fp = 1.0398
Tube-length correction, FL = 1.05 as 16 ft tube length is used.
Calculate f.o.b purchase cost, CP by using equation (16.43).
𝐶𝑃 = 𝐹𝑃 𝐹𝑀 𝐹𝐿 𝐶𝐵 = 1.0398 × 3.8078 × 1.05 × 23437.56
CP = $ 97439.18
Calculate Bare-Module Cost, CBM
𝐶𝐵𝑀 = 𝐹𝐵𝑀 𝐶𝑃
CBM = 3.17 x 97439.18
CBM = $ 308,882.21
95

Item No. HEX-02
Inlet Temperature, Tin 725.2˚C / 1337.36 ˚F 109.88 ˚C / 229.784 ˚F
Outlet Temperature, Tout 659.84 ˚C / 1219.712 ˚F 150 ˚C / 302 ˚F
200 Btu / (˚F-ft2-hr)
Coefficient, U
Type Floating Head
Cost for Cooler
96

Item No. HEX-03
Inlet Temperature, Tin 110.5 ˚C / 230.9 ˚F 37.78 ˚C / 100.004˚F
Outlet Temperature, Tout 74.95 ˚C / 166.91˚F 50 ˚C / 122 ˚F
200 Btu / (˚F-ft2-hr)
Coefficient, U
Type Floating Head
Cost for Cooler
97

Item No. HEX-04
Heat Duty, Q 0.6150 MW / 2098467.1044Btu/hr
Inlet Temperature, Tin 37.78 ˚C / 100.004˚F -190 ˚C / -310 ˚F
Outlet Temperature, Tout -190 ˚C / -310˚F 8.389 ˚C / 47.1002 ˚F
200 Btu / (˚F-ft2-hr)
Coefficient, U
Type Floating Head
Cost for Cooler
98

Item No. HEX-05
Inlet Temperature, Tin 659.839 ˚C / 1219.7115 ˚F 8.389 ˚C / 47.1002 ˚F
200 Btu / (˚F-ft2-hr)
Coefficient, U
Type Floating Head
Cost for Cooler
99

Item No. HEX-06
Inlet Temperature, Tin 655.687 ˚C / 1212.2364 ˚F 25.26 ˚C / 77.468 ˚F
200 Btu / (˚F-ft2-hr)
Coefficient, U
Type Floating Head
Cost for Cooler
100
4.2.3 FURNACE

Item No. FURNACE-01
Identification Furnace
Function As external heating utility to increase the temperature
Volume of furnace, V 3327897.143 ft3
Construction Material Carbon steel (pyrolysis type)
Diameter of furnace ft 95.047 ft
Height of furnace ft 190.094 ft
Cost for Cooler
f.o.b. Total Purchase Cost, CP USD 594602.1137
Bare-Module Cost, CBM USD 1105959.931
SIZING CALCULATION
Volume of furnace, V
ṁ(ton/hr)
Q=
ρ(ton/𝑓𝑡 3 )
7.95(ton/hr) 7.754(ton/hr)
Q= +
54.125(ton/𝑓𝑡 ) 2.33 ∗ 10^ − 6(ton/𝑓𝑡 3 )
3
Q = 3327897.143 𝑓𝑡 3
Diameter of furnace, D
(2V)1/3
D=
π
(2(3327897.143)1/3
D=
π
D = 95.047 ft
101
Height of furnace, H
L=2D
L=2(95.047)
L=190.094 ft
COSTING CALCULATION
Purchase cost
F.o.b. purchase, Cp = 0.650Q0.81
Cp= 0.650(2.289 x 10^7)0.81
Cp= 594602.1137
Bare-module cost
CBM = 1.86 x Cp
CBM = 1.86 x 594602.1137
CBM = 1105959.931
4.2.4 HEATING AND COOLING UTILITIES
4.2.4.1 COOLER 1

Item No. COOLER-1
Identification Cooler
Function Cooling utility for outlet stream of reactor
Process Specification/Operating Condition
Heat Duty, Q (Btu/hr) 2.371 x 10^7
Temperature Inlet, Ti (⁰C) 598.43
Temperature Outlet, To (⁰C) 38
102
Pressure, P (psig) 36984.62
Type Cooler
Material of Construction, Stainless Steel
Cost for Cooler
Base cost, CB USD 616003.6161
f.o.b Total Purchase Cost, CP USD 101031784.8
Bare-module Cost, CBM USD 219238973.1
Q = 2.371 x 10^7 Btu/hr

Use equation 1.1 in order to calculate base cost, CB
CB = exp [0.32325+0.766[ln Q]]
= exp [0.32325+0.766 [ln (2.371 x 10^7)]
= $ 616003.6161
FP = 0.986-0.0035(P/500) + 0.0175(P/500)2
= 0.986-0.0035(36984.62/500) + 0.0175(36984.62/500)2
= 96.47746
CP = FP*FM*CB CBM = FBM*CP
= 96.47746 x 1.70 x 616003.6161 = 101031784.8 (2.17)
= $ 101031784.8 = $ 219238973.1
4.2.4.2 COOLER 2

Item No. COOLER-2
Identification Cooler
Function Cooling utility for distillate product of
distillation column
103
Heat Duty, Q (Btu/hr) 3.75 x 10^5
Temperature Inlet, Ti (⁰C) 74.95
Temperature Outlet, To (⁰C) 25
Pressure, P (psig) 34664.019
Type Cooler
Material of Construction, Stainless Steel
Cost for Cooler
Base cost, CB USD 25709.5007
f.o.b Total Purchase Cost, CP USD 3708683.134
Bare-module Cost, CBM USD 8047842.4
4.2.5 PUMP AND MOTOR
4.2.5.1 PUMP

Item No. P-100
Identification Pump
To increase the pressure of toluene
Function stream from 190 kPa (1.8 atm) to 2550
kPa (25.2 atm)
Process Specification / Operating Conditions
Brake horsepower, PB 70.43 BHp
Flow Rate, Q 78.19 GPM
Density, ρ 7.213 lb/gal
Type Centrifugal Pump
Bare-module Factor, FBM 3.30 (with motor)
Material of Construction Stainless Steel
104
Type Factor, FT 2.7
Pump Head, H 918.01 ft
Efficiency of pump, ȠP 0.6786
Equipment Properties (Motor)
Type of Motor Enclosure Explosion-proof enclosure
Bare-module Factor, FBM 3.30 (with pump)
Type Factor, FT 1.8
Efficiency of motor, ȠM 0.894
Brake Horsepower, PB 23.12 Hp
Power Consumption, PC 25.85 Hp
Cost for Pump
Base Cost, CB $ 4791.96
f.o.b Total Purchase Cost, CP $ 25,876.60
Cost for Motor
Base Cost, CB $ 1163.78
f.o.b Total Purchase Cost, CP $ 2094.81
PUMP COSTING CALCULATION
Step 1: Determine pump flowrate in gallon per minute
Q = 78.19 gal/min
Step 2: Calculate pump head in ft of fluid flowing
∆P (25.2-1.8)atm 2116.8 lb 0.133681 ft3

H= = ×
ρ 7.213 lb/gal 1 atm ft2 1 gal
105
×
= 918.01 ft
Step 3: Determine the size factor, S by using equation (16.13)
S = Q (H) 0.5 = 78.19 (918.01)0.5 = 2369.05 gpm ft 0.5
Step 4: Determine the types of pump and correction factor, FT based on Table 16.20.
In this case, we assume and select to employ centrifugal pump. The calculated pump
head, H is in the range of head for centrifugal pump (50 ft to 3,200 ft), Based on Table 16.20,
centrifugal pump with 3,600 rpm and HSC, horizontal split case and 2 stages is adopted.
Therefore, FT = 2.7.
Step 5: Calculate base cost, CB by using equation (16.14).
CB = exp{12.1656 − 1.1448 [ln(S)] + 0.0862 [ln(S)]2}

= exp{12.1656 − 1.1448 [ln(2369.05)] + 0.0862 [ln(2369.05)]2}
= $ 4791.96
Step 6 : Determine material of construction factor, FM based on Table 16.21.
In this case, the pump material is stainless steel, hence FM = 2.0
Step 7 : Calculate f.o.b purchase of pump by using equation (16.15).
CP =FTFMCB
= (2.7) (2.0) (4791.96)
= $ 25,876.60
MOTOR COSTING CALCULATION
Step 1: Calculate pump efficiency, ∩p by using Equation 16.17.
∩p = −0.316 + 0.24015(lnQ) − 0.01199(lnQ)

= −0.316 + 0.24015(ln 78.19) − 0.01199(ln 78.19)
= 0.6786
Step 2: Calculate brake horsepower, PB.
106
PB = QHρ
33000∩P
= 23.12 Hp
Step 3: Calculate motor efficiency, ∩M by using Equation 16.18 since PB is in the range
of 1-1500 Hp.
∩M= 0.80 + 0.0319(lnPB) − 0.00182(lnPB)

= 0.80 + 0.0319(ln 23.12) − 0.00182(ln 23.12)
= 0.894
Step 4: Calculate power consumption by using Equation 16.16.
PC = PB
∩M
= 25.85 Hp
Step 5: Determine the types of motor and correction factor, FT based on Table
16.22.
In this case, the explosion-proof enclosure motor type is selected. Therefore, FT = 1.8 for
3,600 rpm.
Step 6: Calculate base cost, CB by using Equation 16.19.
CB = exp{5.9332 + 0.16829[ln(PC)] − 0.110056[ln(PC)]2 +

0.071413[ln(PC)]3− 0.0063788[ln(PC)]4}
= exp{5.9332 + 0.16829[ln(25.85)] − 0.110056[ln(25.85)]2
+0.071413 [ln(25.85)]3− 0.0063788[ln(25.85)]4}
= $ 1163.78
Step 7: Calculate f.o.b purchase of electric motor by using Equation 16.20.
CP = FTCB
= (1.8) (1163.78)
= $ 2094.81
107
4.2.6 PRESSURE VESSELS AND TOWER
4.2.6.1 FLASH DRUM 1
Requirements Specifications
Function To separate the methane and hydrogen from
the toluene and benzene
Material of construction Low-alloy steel
Fabrication Vertical
Feed Flowrate, F (kg/hr) 15,770.00
Vapour Flowrate, V (kg/hr) 2,062.00
Liquid Flowrate, L (kg/hr) 13,710.00
Pressure, (kPa) 2390
Vessel Area, A (m2) 3.8573
Diameter, D (m) 2.2161
Vessel Height, L (m) 8.8646
Maximum Allowable Vapor Velocity, v 2.3717
(ft/s)
Weight, lb 7,303.04
Purchase Cost, Cp ($) 66,502.60
Bare-Module Cost, ($) 276,650.82
By referring to Souders-Brown equation, let’s assume that:
i. Length to diameter ratio (L/D) = 4

ii. t = 5 minutes (Inventory of liquid between the normal liquid level and the vessel's
bottom).
iii. k value for the drum with horizontal mesh pads = 0.35 ft/s
iv. Maximum allowable stress, S = 15,000 psi (Low alloy: (1% Cr and 0.5% Mo) steel)
(SA-387B).
v. The weld efficiency, E = 1.0 (Larger wall thickness).
vi. Material factor, FM = 1.2 (Low-alloy steel).
vii. tc = 0.125 (Non-corrosive criteria).
108
viii. FBM = 4.16 (Pressure vessel).
Data from Aspen:
i. P0 = 2390 kPa = 346.64 psig

ii. Feed, F = 15,770.00 kg/hr = 753.104 ft3/hr
iii. Vapour, V = 2,062.00 kg/hr = 98.4718 ft3/hr
iv. Liquid, L = 13,710.00 kg/hr = 654.728 ft3/hr
Noted that:
i. At the vapour outlet:

Compound Composition Density (kg/m3)
Hydrogen 0.2485 0.08378
Toluene 0.0013 867.00
Methane 0.7414 0.657
Benzene 0.0088 876.00
Thus, density vapour (dV) is:
1
𝑑𝑉 =
0.2485 0.0013 0.7414 0.0088
(0.08378) + ( 867 ) + ( ) + ( 876 )
0.657
𝑘𝑔 𝑘𝑔
𝑑𝑉 = 0.2442 = 0.00691
𝑚3 𝑓𝑡 3
ii. At the liquid outlet:

Hydrogen 0.0015 0.08378
Toluene 0.2843 867.00
Methane 0.0449 0.657
Benzene 0.6692 876.00
Thus, density liquid (dL) is:
109
1
𝑑𝐿 =
0.0015 0.2843 0.0449 0.6692
(0.08378) + ( 867 ) + ( ) + ( 876 )
0.657
𝑘𝑔 𝑘𝑔
𝑑𝐿 = 11.4499 3
= 0.32423 3
𝑚 𝑓𝑡
SIZING CALCULATION
Maximum allowable vapour velocity, v:
𝑑𝐿 − 𝑑𝑉 0.5
𝑣 = 𝑘( )
𝑑𝑉
0.32423 − 0.00691 0.5
𝑣 = 0.35 × ( )
0.00691
𝑣 = 2.3717 𝑓𝑡/𝑠
Cross sectional area of the drum, A:
𝑉
𝐴=
𝑣
98.4718
𝐴=( )
2.3717
𝐴 = 41.5195 𝑓𝑡 2
𝐴 = 3.8573 𝑚2
Drum diameter, D:
4𝐴 0.5
𝐷=( )
𝜋
4 × 41.5195 0.5
𝐷=( )
𝜋
𝐷 = 7.2708 𝑓𝑡
𝐷 = 87.2496 𝑖𝑛.
𝐷 = 2.2161 𝑚
Length of the column, L:
𝐿 = 4𝐷
110
𝐿 = 4 × 7.2708
𝐿 = 29.0832 𝑓𝑡
𝐿 = 8.8646 𝑚
Volume of the vessel, V:
𝑉 =𝐴×𝐿
𝑉 = 41.5195 × 7.2708
𝑉 = 301.88 𝑓𝑡 3
Internal design gauge pressure, Pd:
𝑃𝑑 = exp [0.60608 + 0.91615[ln(𝑃0 )] + 0.0015655[ln(𝑃0 )]2 ]
𝑃𝑑 = exp [0.60608 + 0.91615[ln(346.64)] + 0.0015655[ln(346.64)]2 ]
𝑃𝑑 = 410.564 𝑝𝑠𝑖
𝑃𝑑 > 𝑃0
Wall thickness to withstand the internal pressure, tp:
𝑃𝑑 𝐷𝑖
𝑡𝑝 =
2𝑆𝐸 − 1.2𝑃𝑑
(410.564𝑝𝑠𝑖)(87.2496𝑖𝑛. )
𝑡𝑝 =
2(15000𝑝𝑠𝑖)(1) − 1.2(410.564𝑝𝑠𝑖)
𝑡𝑝 = 1.2140 𝑖𝑛.
𝑡𝑝 = 0.10117 𝑓𝑡
𝐿𝑒𝑡: 𝑡ℎ𝑒 (𝑡𝑝) 𝑡ℎ𝑒 𝑤𝑎𝑙𝑙 𝑡ℎ𝑖𝑐𝑘𝑛𝑒𝑠𝑠 = (𝑡𝑠)𝑡ℎ𝑒 𝑠ℎ𝑒𝑙𝑙 𝑡ℎ𝑖𝑐𝑘𝑛𝑒𝑠𝑠 = 0.10117 𝑓𝑡
Weight of the column, W:
𝑙𝑏
𝜌 = 486.432 (𝐿𝑜𝑤 𝑎𝑙𝑙𝑜𝑦 𝑠𝑡𝑒𝑒𝑙 𝑖𝑠 𝑡ℎ𝑒 𝑐𝑜𝑙𝑢𝑚𝑛 𝑚𝑎𝑡𝑒𝑟𝑖𝑎𝑙)
𝑓𝑡 3
𝑊 = 𝜋(𝐷𝑖 + 𝑡𝑠 )(𝐿 + 0.8𝐷𝑖 )𝑡𝑠 𝜌
𝑊 = 𝜋(7.2708 + 0.10117 )(29.0832 + 0.8 × 7.2708 ) × 0.10117 × 486.432
𝑊 = 7,303.04 𝑙𝑏
111
COSTING CALCULATION
Vessel cost, Cv:
The vertical vessel criteria:
𝑉𝑒𝑟𝑡𝑖𝑐𝑎𝑙 𝑉𝑒𝑠𝑠𝑒𝑙𝑠 𝑓𝑜𝑟 4,200 < 𝑊 < 1,000,000 𝑙𝑏
𝐶𝑉 = exp [7.1390 + 0.18255(ln(𝑊)) + 0.02297(ln(𝑊))2 ]
𝐶𝑉 = exp [7.1390 + 0.18255(ln(7303.04)) + 0.02297(ln(7303.04))2 ]
𝐶𝑉 = $39,371.99
Platform cost, CPL:
𝑉𝑒𝑟𝑡𝑖𝑐𝑎𝑙 𝑉𝑒𝑠𝑠𝑒𝑙𝑠 𝑓𝑜𝑟 3 < 𝐷𝑖 < 21𝑓𝑡 𝑎𝑛𝑑 12 < 𝐿 < 40𝑓𝑡
𝐶𝑃𝐿 = 410 × (𝐷𝑖 )0.73960 (𝐿)0.70684
𝐶𝑃𝐿 = 410 × (7.2708)0.73960 (29.0832)0.70684
𝐶𝑃𝐿 = $19,256.21
Purchase cost, CP:
𝐶𝑃 = 𝐹𝑀 𝐶𝑉 + 𝐶𝑃𝐿
𝐶𝑃 = (1.2 × 39371.99) + 19256.21
𝐶𝑃 = $66,502.60
Bare-module cost, CBM:
𝐶𝐵𝑀 = 4.16 × 𝐶𝑃
𝐶𝐵𝑀 = 4.16 × 66502.60
𝐶𝐵𝑀 = $276,650.82
112
Function To separate methane from the toluene and
benzene
Fabrication Horizontal
Vapour Flowrate, V (kg/hr) 174.00
Pressure, (kPa) 280.00
(ft/s)
Weight, lb 1,527.215
ix. Length to diameter ratio (L/D) = 4

x. t = 5 minutes (Inventory of liquid between the normal liquid level and the vessel's
bottom).
xi. k value for the drum with horizontal mesh pads = 0.35 ft/s
xii. Maximum allowable stress, S = 15,000 psi (Low alloy: (1% Cr and 0.5% Mo) steel)
(SA-387B).
xiii. The weld efficiency, E = 1.0 (Larger wall thickness).
xiv. Material factor, FM = 1.2 (Low-alloy steel).
xv. tc = 0.125 (Non-corrosive criteria).
xvi. FBM = 4.16 (Pressure vessel).
113
Data from Aspen:
v. P0 = 280 kPa = 40.6106 psig

vi. Feed, F = 13,710.00 kg/hr = 654.728ft3/hr
vii. Vapour, V = 174.00 kg/hr =81.375 ft3/hr
viii. Liquid, L = kg/hr = 646.132ft3/hr
Noted that:
iii. At the vapour outlet:

Hydrogen 0.0334 0.08378
Toluene 0.00135 867.00
Methane 0.8628 0.657
Benzene 0.0903 876.00
1
𝑑𝑉 =
0.0334 0.00135 0.8628 0.0903
(0.08378) + ( 867 ) + ( ) + ( 876 )
0.657
𝑘𝑔 𝑘𝑔
𝑑𝑉 = 0.5841 3
= 0.01654 3
𝑚 𝑓𝑡
iv. At the liquid outlet:

Toluene 0.2971 867.00
Methane 0.0061 0.657
Benzene 0.6967 876.00
1
𝑑𝐿 =
0.2971 0.0061 0.6967
( 867 ) + ( ) + ( 876 )
0.657
114
𝑘𝑔 𝑘𝑔
𝑑𝐿 = 95.9451 3
= 2.7169 3
𝑚 𝑓𝑡
SIZING CALCULATION
𝑑𝐿 − 𝑑𝑉 0.5
𝑣 = 𝑘( )
𝑑𝑉
2.7169 − 0.01654 0.5
𝑣 = 0.35 × ( )
0.01654
𝑣 = 4.4721 𝑓𝑡/𝑠
𝑉
𝐴=
𝑣
81.375
𝐴=( )
4.4721
𝐴 = 18.1961 𝑓𝑡 2
𝐴 = 1.6905 𝑚2
Drum diameter, D:
4𝐴 0.5
𝐷=( )
𝜋
4 × 18.1961 0.5
𝐷=( )
𝜋
𝐷 = 4.8133 𝑓𝑡
𝐷 = 57.7596 𝑖𝑛.
𝐷 = 1.4671 𝑚
𝐿 = 4𝐷
𝐿 = 4 × 4.8133
𝐿 = 19.2532 𝑓𝑡
115
𝐿 = 5.8684 𝑚
𝑉 =𝐴×𝐿
𝑉 = 81.375 × 19.2532
𝑉 = 1566.7292 𝑓𝑡 3
𝑃𝑑 = exp [0.60608 + 0.91615[ln(𝑃0 )] + 0.0015655[ln(𝑃0 )]2 ]
𝑃𝑑 = exp [0.60608 + 0.91615[ln(40.6106)] + 0.0015655[ln(40.6106)]2 ]
𝑃𝑑 = 55.7571 𝑝𝑠𝑖
𝑃𝑑 > 𝑃0
𝑃𝑑 𝐷𝑖
𝑡𝑝 =
2𝑆𝐸 − 1.2𝑃𝑑
(55.7571𝑝𝑠𝑖)(57.7596𝑖𝑛. )
𝑡𝑝 =
2(15000𝑝𝑠𝑖)(1) − 1.2(55.7571𝑝𝑠𝑖)
𝑡𝑝 = 0.1076 𝑖𝑛.
𝑡𝑝 = 0.00897 𝑓𝑡
𝐿𝑒𝑡: 𝑡ℎ𝑒 (𝑡𝑝) 𝑡ℎ𝑒 𝑤𝑎𝑙𝑙 𝑡ℎ𝑖𝑐𝑘𝑛𝑒𝑠𝑠 = (𝑡𝑠)𝑡ℎ𝑒 𝑠ℎ𝑒𝑙𝑙 𝑡ℎ𝑖𝑐𝑘𝑛𝑒𝑠𝑠 = 0.00897 𝑓𝑡
𝑙𝑏
𝑓𝑡 3
𝑊 = 𝜋(𝐷𝑖 + 𝑡𝑠 )(𝐿 + 0.8𝐷𝑖 )𝑡𝑠 𝜌
𝑊 = 𝜋(4.8133 + 0.00897 )(19.2532 + 0.8 × 4.8133 ) × 0.00897 × 486.432
𝑊 = 1,527.215 𝑙𝑏
COSTING CALCULATION
Vessel cost, Cv:
116
The horizontal vessel criteria:
𝐻𝑜𝑟𝑖𝑧𝑜𝑛𝑡𝑎𝑙 𝑉𝑒𝑠𝑠𝑒𝑙𝑠 𝑓𝑜𝑟 1,000 < 𝑊 < 920,000 𝑙𝑏
𝐶𝑉 = exp [5.6336 + 0.4599(ln(𝑊)) + 0.00582(ln(𝑊))2 ]
𝐶𝑉 = exp [5.6336 + 0.4599(ln(1527.215)) + 0.00582(ln(1527.215))2 ]
𝐶𝑉 = $11,136.95
Platform cost, CPL:
The horizontal vessel criteria:
𝐻𝑜𝑟𝑖𝑧𝑜𝑛𝑡𝑎𝑙 𝑉𝑒𝑠𝑠𝑒𝑙𝑠 𝑓𝑜𝑟 3 < 𝐷𝑖 < 12𝑓𝑡
𝐶𝑃𝐿 = 2275 × (𝐷𝑖 )0.2094
𝐶𝑃𝐿 = 2275 × (4.8133)0.2094
𝐶𝑃𝐿 = $3,161.44
Purchase cost, CP:
𝐶𝑃 = (1.2 × 11136.95) + 3161.44
𝐶𝑃 = $16,525.78
𝐶𝐵𝑀 = 4.16 × 𝐶𝑃
𝐶𝐵𝑀 = 4.16 × 16525.78
𝐶𝐵𝑀 = $68,747.24
117
Function To separate hydrogen from toluene,
methane and benzene
Fabrication Vertical
Vapour Flowrate, V (kg/hr) 78.24
Pressure, (kPa) 2,390.00
(ft/s)
Weight, lb 72,484.29
xvii. Length to diameter ratio (L/D) = 2

xviii. t = 5 minutes (Inventory of liquid between the normal liquid level and the vessel's
bottom).
xix. k value for the drum with horizontal mesh pads = 0.35 ft/s
xx. Maximum allowable stress, S = 15,000 psi (Low alloy: (1% Cr and 0.5% Mo) steel)
(SA-387B).
xxi. The weld efficiency, E = 1.0 (Larger wall thickness).
xxii. Material factor, FM = 1.2 (Low-alloy steel).
xxiii. tc = 0.125 (Non-corrosive criteria).
xxiv. FBM = 4.16 (Pressure vessel).
118
Data from Aspen:
ix. P0 = 2390 kPa = 346.64 psig

x. Feed, F = 2,062.00 kg/hr = 98.4718 ft3/hr
xi. Vapour, V = 78.24 kg/hr = 3.7364ft3/hr
xii. Liquid, L = 1,984.00 kg/hr = 94.7469 ft3/hr
Noted that:
v. At the vapour outlet:

Hydrogen 0.9971 0.08378
Methane 0.0029 0.657
1
𝑑𝑉 =
0.9971 0.0029
(0.08378) + ( )
0.657
𝑘𝑔 𝑘𝑔
𝑑𝑉 = 0.0840 = 0.00238
𝑚3 𝑓𝑡 3
vi. At the liquid outlet:

Hydrogen 0.0073 0.08378
Toluene 0.0017 867.00
Methane 0.9792 0.657
Benzene 0.0117 876.00
1
𝑑𝐿 =
0.0073 0.0017 0.9792 0.0117
(0.08378) + ( 867 ) + ( ) + ( 876 )
0.657
119
𝑘𝑔 𝑘𝑔
𝑑𝐿 = 0.6339 3
= 0.01795 3
𝑚 𝑓𝑡
SIZING CALCULATION
𝑑𝐿 − 𝑑𝑉 0.5
𝑣 = 𝑘( )
𝑑𝑉
0.01795 − 0.00238 0.5
𝑣 = 0.35 × ( )
0.00238
𝑣 = 0.8952 𝑓𝑡/𝑠
𝑉
𝐴=
𝑣
3.7364
𝐴=( )
0.8952
𝐴 = 4.1738 𝑓𝑡 2
𝐴 = 0.3878𝑚2
Drum diameter, D:
8𝐴
𝐷=( )
𝜋
8 × 4.1738
𝐷=( )
𝜋
𝐷 = 10.6285 𝑓𝑡
𝐷 = 127.542 𝑖𝑛.
𝐷 = 3.2396 𝑚
𝐿 = 2𝐷
𝐿 = 2 × 10.6285
𝐿 = 21.257 𝑓𝑡
𝐿 = 6.4791 𝑚
120
𝑉 =𝐴×𝐿
𝑉 = 4.1738 × 21.257
𝑉 = 88.7225 𝑓𝑡 3
𝑃𝑑 = exp [0.60608 + 0.91615[ln(𝑃0 )] + 0.0015655[ln(𝑃0 )]2 ]
𝑃𝑑 = exp [0.60608 + 0.91615[ln(346.64)] + 0.0015655[ln(346.64)]2 ]
𝑃𝑑 = 410.564 𝑝𝑠𝑖
𝑃𝑑 > 𝑃0
𝑃𝑑 𝐷𝑖
𝑡𝑝 =
2𝑆𝐸 − 1.2𝑃𝑑
(410.564𝑝𝑠𝑖)(127.542𝑖𝑛. )
𝑡𝑝 =
2(15000𝑝𝑠𝑖)(1) − 1.2(410.564𝑝𝑠𝑖)
𝑡𝑝 = 1.7746 𝑖𝑛.
𝑡𝑝 = 0.1479𝑓𝑡
𝐿𝑒𝑡: 𝑡ℎ𝑒 (𝑡𝑝)𝑡ℎ𝑒 𝑤𝑎𝑙𝑙 𝑡ℎ𝑖𝑐𝑘𝑛𝑒𝑠𝑠 = (𝑡𝑠)𝑡ℎ𝑒 𝑠ℎ𝑒𝑙𝑙 𝑡ℎ𝑖𝑐𝑘𝑛𝑒𝑠𝑠 = 0.1479𝑓𝑡
𝑙𝑏
𝑓𝑡 3
𝑊 = 𝜋(𝐷𝑖 + 𝑡𝑠 )(𝐿 + 0.8𝐷𝑖 )𝑡𝑠 𝜌
𝑊 = 𝜋(10.6285 + 0.1479 )(21.257 + 0.8 × 10.6285 ) × 0.1479 × 486.432
𝑊 = 72,484.29 𝑙𝑏
COSTING CALCULATION
Vessel cost, Cv:
𝑉𝑒𝑟𝑡𝑖𝑐𝑎𝑙 𝑉𝑒𝑠𝑠𝑒𝑙𝑠 𝑓𝑜𝑟 4,200 < 𝑊 < 1,000,000 𝑙𝑏
121
𝐶𝑉 = exp [7.1390 + 0.18255(ln(𝑊)) + 0.02297(ln(𝑊))2 ]
𝐶𝑉 = exp [7.1390 + 0.18255(ln(72484.29)) + 0.02297(ln(72484.29))2 ]
𝐶𝑉 = $113,367.69
Platform cost, CPL:
𝑉𝑒𝑟𝑡𝑖𝑐𝑎𝑙 𝑉𝑒𝑠𝑠𝑒𝑙𝑠 𝑓𝑜𝑟 3 < 𝐷𝑖 < 21𝑓𝑡 𝑎𝑛𝑑 12 < 𝐿 < 40𝑓𝑡
𝐶𝑃𝐿 = 410 × (𝐷𝑖 )0.73960 (𝐿)0.70684
𝐶𝑃𝐿 = 410 × (10.6285)0.73960 (21.257 )0.70684
𝐶𝑃𝐿 = $20,431.21
Purchase cost, CP:
𝐶𝑃 = (1.2 × 113367.69) + 20431.21
𝐶𝑃 = $156,472.44
𝐶𝐵𝑀 = 4.16 × 𝐶𝑃
𝐶𝐵𝑀 = 4.16 × 156472.44
𝐶𝐵𝑀 = $650,925.35
4.2.6.4 DISTILLATION COLUMN

Item No. DC1
Identification Distillation Column
Function To separate the benzene product from the
other component, which is toluene
122
Vapor Flow Rate, FV 19854.81 lb/hr
Liquid Flow Rate, FL 9980.31 lb/hr
Density of vapor, ρv 0.1718 lb/ft3
Density of liquid, ρL 48.7436 lb/ft3
Surface Tension, σ 18.32 dyne/cm
Temperature, To 302 ˚F
Pressure, Po 40.61 psia
Type Horizontal Vessel
Material of Construction Carbon Steel DS-385, Grade C
Density, ρcarbon steel 0.284 lb/in3
Maximum Allowable Stress, S 15000 psi
Vessel Internal Diameter, DT 4.655 ft / 55.8635 inch
Vessel Height, L 7.183 ft / 86.196 inch
Wall thickness to withstand internal
0.1041 inch
pressure, tP
Average vessel wall thickness, tV 0.1054 inch
Corrosion Allowance, tc 0.125 inch
Shell Thickness, ts 0.3554 inch
Weight, W 2333.2637 lb
Cost of Pressure Vessel
Cost of empty vessel, Cv $ 10431.15
Added cost, CPL $ 3139.38
f.o.b Purchase cost, Cp $ 13570.53
123
4.3 ESTIMATION OF TOTAL CAPITAL INVESTMENT
In this part, we are focus on estimation of the Total Capital Investment (TCI). This is
the important part to make a new plant. Total Capital Investment (TCI) is an important
component that is defined as the one-time expense that will include the plant's design,
production, and start-up payment that also includes the cost of installation and workforce.
Basically, there are 3 method to calculate the Total Capital Investment (TCI) which are:
1. Order-of-Magnitude Estimate
2. Study Estimate
3. Preliminary Estimate
Between the 3 method, we have chosen Method 3 which is Preliminary Estimate in our
calculation. This method is usually carried out after the development of an optimum process
design, complete with a mass and energy balance, layout of equipment, and development of a
configuration of process control as integrated into a P&ID. The equation for the total capital
investment by the Guthrie method is shown below:
𝐶𝑇𝐶𝐼 = 𝐶𝑇𝑃𝐼 + 𝐶𝑊𝐶
= 1.18(𝐶𝑇𝐵𝑀 + 𝐶𝑠𝑖𝑡𝑒 + 𝐶𝑏𝑢𝑖𝑙𝑑𝑖𝑛𝑔𝑠 + 𝐶𝑜𝑓𝑓𝑠𝑖𝑑𝑒 𝑓𝑎𝑐𝑖𝑙𝑖𝑡𝑖𝑒𝑠 ) + 𝐶𝑊𝐶
Table 4.2 Cost of Equipment
Equipment 𝐶𝑃 (S) 𝐹𝐵𝑀 𝐶𝐵𝑀 (USD)

Cooler 1 101031784.8 2.17 219,238,973.1
Cooler 2 3708683.134 2.17 8,047,842.4
Reactor 112,476.99 3.05 343,054.83
Heat Exchanger 1 97,439.18 3.17 308,882.21
Heat Exchanger 2 124,248.34 3.17 393,867.24
Heat Exchanger 3 118,601.33 3.17 375,966.21
Heat Exchanger 4 120,782.30 3.17 382,879.90
Heat Exchanger 5 147,385.77 3.17 467,212.88
124
Heat Exchanger 6 131,095.65 3.17 415,573.20
Distillation Column 13570.53 3.05 41390.12
Pump 25,876.60 3.30 85392.78
Motor 2094.81 3.30 6912.87
Flash Drum 1 66,502.60 4.16 276,650.82
Flash Drum 2 16,525.78 3.05 50,403.63
Flash Drum 3 156,472.44 4.16 650,925.35
𝐶𝑇𝐵𝑀 USD 231,085,927.5
Assumptions:
i. 𝐶𝑜𝑓 𝑓𝑠𝑖𝑡𝑒 𝑢𝑡𝑖𝑙𝑖𝑡𝑦 𝑝𝑙𝑎𝑛𝑡𝑠 = 𝑈𝑆𝐷 1,500,000.00

ii. 𝐶𝑊𝐶 = USD 1,700,00.00
iii. Not a grass-roots plant
𝐶𝑠𝑖𝑡𝑒 = 0.05 𝐶𝑇𝐵𝑀 = 0.05 (231,085,927.5) = USD 11,554,296.38
𝐶𝑏𝑢𝑖𝑙𝑑𝑖𝑛𝑔𝑠 = 0.05 𝐶𝑇𝐵𝑀 = 0.05 (231,085,927.5) = USD 11,554,296.38
𝐶𝑜𝑓 𝑓𝑠𝑖𝑡𝑒 𝑓𝑎𝑐𝑖𝑙𝑖𝑡𝑖𝑒𝑠 = 1,500,000 + 0.05 𝐶𝑇𝐵𝑀 = USD 13,054,296.38
𝐶𝑇𝑃𝐼 = 1.18 x (11,554,296.38 + 11,554,296.38 + 13,054,296.38) = USD 36,162,889.14
𝐶𝑇𝐶𝐼 = 𝐶𝑇𝑃𝐼 + 𝐶𝑊𝐶 = USD 37,862,889.14
4.3.1 RETURN ON INVESTMENT, PAYBACK PERIOD AND VENTURE PROFIT
Net earnings = Profit = USD 747,734,240.4
𝐶𝑇𝐷𝐶 = 𝐶𝐷𝑃𝐼 + 𝐶𝑐𝑜𝑛𝑡
𝐶𝐷𝑃𝐼 = 𝐶𝑇𝐵𝑀 + 𝐶𝑠𝑖𝑡𝑒 + 𝐶𝑠𝑒𝑟𝑣 + 𝐶𝑎𝑙𝑙𝑜𝑐
125
Assumptions:
1. 𝐶𝑠𝑒𝑟𝑣 = USD 10,000
2. 𝐶𝑎𝑙𝑙𝑜𝑐 = USD 100,000
𝑪𝑫𝑷𝑰 = 231,085,927.5 + 11,554,296.38 + 10,000 + 100,000 = USD 242,750,223.9
𝑪𝒄𝒐𝒏𝒕 = 0.18 (242,750,223.9) = USD 43,695,040.3
𝑪𝑻𝑫𝑪 = 242,750,223.9 + 43,695,040.3 = USD 286,445,264.2
Direct plan = 0.08 ( 𝐶𝑇𝐷𝐶 – 1.18 𝐶𝑎𝑙𝑙𝑜𝑐 ) = 0.08 (286,445,264.2 – 1.18(100,000))
= USD 22,906,181.14
Allocated plant = 0.06 (1.18𝐶𝑎𝑙𝑙𝑜𝑐 ) = 0.06*1.18*100,000 = USD 7,080.00
Depreciation = 22,906,181.14 + 7,080.00 = USD 22,913,261.14
𝑁𝑒𝑡 𝑒𝑎𝑟𝑛𝑖𝑛𝑔𝑠 747,734,240.4

Return on investment: ROI = 𝐶𝑎𝑝𝑖𝑡𝑎𝑙 𝐼𝑛𝑣𝑒𝑠𝑡𝑚𝑒𝑛𝑡 = 37,862,889.14 = 19.75 %
𝐶
𝑇𝐷𝐶 286,445,264.2
Payback Period: PBP = 𝑁𝑒𝑡 𝑒𝑎𝑟𝑛𝑖𝑛𝑔+𝐷𝑒𝑝𝑟𝑒𝑐𝑖𝑎𝑡𝑖𝑜𝑛 =747,734,240.4+22,913,261.14 = 0.37 year
Venture Profit: VP = (Net earnings) – 0.2𝐶𝑇𝐶𝐼 = 747,734,240.4 – 0.2*37,862,889.14
= USD 740,161,662.6
126
CONCLUSION
Based on project done, the benzene production plant was successfully being designed
considering all factors starting from material background till the total capital investment.
Considering the global and local market, sulphuric acid has a great economic potential which
will surely gain profit as being constructed in Tanjung Langsat Industrial Complex, Pasir
Gudang, Johor due to its major incentives and market value. Along with process synthesis, the
overall process flowsheet was generated using ASPEN HYSIS software considering mass and
energy balance which were then being compared to the manual. Besides process synthesis, the
heat integration comprised of heat exchanger network (HEN) was developed which eventually
minimized the energy consumption up to 100% and 33.36% of and hot and cold utility
respectively. Furthermore, the equipment sizing and costing for each equipment involved in
the production process was evaluated and an optimization was done. Overall, the total capital
investment was estimated around USD 37,862,889.14. However, it was also estimated to have
around 19.75% of ROI with payback period of 0.37 year.
127
1
Case Name: Task3 Toluene (2).hsc
2 Company Name Not Available
3 Bedford, MA Unit Set: SI
4 USA
Date/Time: Wed Jan 20 22:41:44 2021
5
6
7 Workbook: Case (Main)
8
9
10
Material Streams Fluid Pkg: All
11 Name Toluene Hydrogen S2 S16 S3

12 Vapour Fraction 0.0000 1.0000 0.0000 1.0000 0.0000
13 Temperature (C) 25.00 * 25.00 * 25.00 25.00 25.85
14 Pressure (kPa) 190.0 * 2550 * 190.0 2550 2550 *
15 Molar Flow (kgmole/h) 166.6 124.6 166.6 162.6 166.6
16 Mass Flow (kg/h) 1.535e+004 * 338.5 * 1.535e+004 416.7 1.535e+004
17 Liquid Volume Flow (m3/h) 17.65 3.749 17.65 4.850 17.65
18 Heat Flow (kJ/h) 2.021e+006 -4.634e+005 2.021e+006 -4.704e+005 2.077e+006
19 Name S4 S7 S8_Bot S8_Top S8_Cooler
20 Vapour Fraction 0.4903 1.0000 0.0000 1.0000 0.4725
21 Temperature (C) 25.26 600.0 725.2 725.2 38.00 *
22 Pressure (kPa) 2550 2550 2550 2550 2550 *
24 Mass Flow (kg/h) 1.577e+004 1.577e+004 0.0000 1.577e+004 1.577e+004
26 Heat Flow (kJ/h) 1.606e+006 2.831e+007 0.0000 2.831e+007 -2.479e+006
27 Name S9 S10 Methane S10_Valve S28_Valve
28 Vapour Fraction 1.0000 0.0000 0.0103 0.0453 0.4743
29 Temperature (C) 37.87 37.87 -166.8 49.16 37.87
30 Pressure (kPa) 2390 2390 280.0 280.0 * 2390 *
32 Mass Flow (kg/h) 2062 1.371e+004 2158 1.371e+004 1.577e+004
34 Heat Flow (kJ/h) -8.512e+006 6.033e+006 -1.095e+007 6.314e+006 -2.479e+006
35 Name S19_Cooler Benzene S9_Cooler S11 S12
36 Vapour Fraction 0.0015 0.0072 0.2436 1.0000 0.0000
37 Temperature (C) 25.00 * 24.73 -190.0 * -190.0 -190.0
38 Pressure (kPa) 280.0 * 101.3 * 2390 * 2390 2390
40 Mass Flow (kg/h) 9006 9006 2062 78.24 1984
42 Heat Flow (kJ/h) 5.609e+006 5.609e+006 -1.076e+007 -2.436e+005 -1.051e+007
43 Name S25 S5 S6 S25_Recycle S18
44 Vapour Fraction 1.0000 0.5037 1.0000 1.0000 1.0000
45 Temperature (C) 25.00 * 100.0 * 600.0 * 25.00 * 49.16
46 Pressure (kPa) 2550 * 2550 * 2550 * 2550 * 280.0
47 Molar Flow (kgmole/h) 38.05 329.2 329.2 38.05 * 7.838
48 Mass Flow (kg/h) 78.24 1.577e+004 1.577e+004 78.24 174.1
50 Heat Flow (kJ/h) -7063 4.155e+006 2.831e+007 -7063 -4.352e+005
51 Name S19 S10_Heater4 S19-Heater Toluene-Out DC1-Top
52 Vapour Fraction 0.0000 0.0003 1.0000 0.0000 1.0000
53 Temperature (C) 49.16 50.00 * 150.0 * 25.00 * 80.22
54 Pressure (kPa) 280.0 2390 * 280.0 * 2550 * 101.3
56 Mass Flow (kg/h) 1.353e+004 1.371e+004 1.353e+004 4527 9006
58 Heat Flow (kJ/h) 6.749e+006 6.314e+006 1.407e+007 6.078e+005 1.003e+007
59
60
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63 Aspen Technology Inc. Aspen HYSYS Version 11 Page 1 of 4
Licensed to: Company Name Not Available * Specified by user.
1
4 USA
5
6
7 Workbook: Case (Main) (continued)
8
9
10
Material Streams (continued) Fluid Pkg: All
11 Name DC1-Bot
12 Vapour Fraction 0.0000
13 Temperature (C) 110.5
14 Pressure (kPa) 101.3
15 Molar Flow (kgmole/h) 49.13
16 Mass Flow (kg/h) 4527
17 Liquid Volume Flow (m3/h) 5.203
18 Heat Flow (kJ/h) 1.291e+006
19
20
Compositions Fluid Pkg: All
21 Name Toluene Hydrogen S2 S16 S3

22 Comp Mole Frac (Hydrogen) 0.0000 * 0.9500 * 0.0000 0.9610 0.0000
23 Comp Mole Frac (Toluene) 1.0000 * 0.0000 * 1.0000 0.0000 1.0000
24 Comp Mole Frac (Methane) 0.0000 * 0.0500 * 0.0000 0.0390 0.0000
25 Comp Mole Frac (H2O) 0.0000 * 0.0000 * 0.0000 0.0000 0.0000
26 Comp Mole Frac (Benzene) 0.0000 * 0.0000 * 0.0000 0.0000 0.0000
27 Comp Mole Frac (Nitrogen) 0.0000 * 0.0000 * 0.0000 0.0000 0.0000
28 Comp Mole Frac (Oxygen) 0.0000 * 0.0000 * 0.0000 0.0000 0.0000
29 Comp Mole Frac (CO) 0.0000 * 0.0000 * 0.0000 0.0000 0.0000
30 Comp Mole Frac (CO2) 0.0000 * 0.0000 * 0.0000 0.0000 0.0000
31 Name S4 S7 S8_Bot S8_Top S8_Cooler
32 Comp Mole Frac (Hydrogen) 0.4747 0.4747 0.1187 0.1187 0.1187
33 Comp Mole Frac (Toluene) 0.5061 0.5061 0.1500 0.1501 0.1501
34 Comp Mole Frac (Methane) 0.0193 0.0193 0.3753 0.3753 0.3753
35 Comp Mole Frac (H2O) 0.0000 0.0000 0.0000 0.0000 0.0000
36 Comp Mole Frac (Benzene) 0.0000 0.0000 0.3560 0.3560 0.3560
37 Comp Mole Frac (Nitrogen) 0.0000 0.0000 0.0000 0.0000 0.0000
38 Comp Mole Frac (Oxygen) 0.0000 0.0000 0.0000 0.0000 0.0000
39 Comp Mole Frac (CO) 0.0000 0.0000 0.0000 0.0000 0.0000
40 Comp Mole Frac (CO2) 0.0000 0.0000 0.0000 0.0000 0.0000
41 Name S9 S10 Methane S10_Valve S28_Valve
45 Comp Mole Frac (H2O) 0.0000 0.0000 0.0000 0.0000 0.0000
49 Comp Mole Frac (CO) 0.0000 0.0000 0.0000 0.0000 0.0000
50 Comp Mole Frac (CO2) 0.0000 0.0000 0.0000 0.0000 0.0000
51 Name S19_Cooler Benzene S9_Cooler S11 S12
55 Comp Mole Frac (H2O) 0.0000 0.0000 0.0000 0.0000 0.0000
59 Comp Mole Frac (CO) 0.0000 0.0000 0.0000 0.0000 0.0000
60 Comp Mole Frac (CO2) 0.0000 0.0000 0.0000 0.0000 0.0000
61
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4 USA
5
6
8
9
10
Compositions (continued) Fluid Pkg: All
11 Name S25 S5 S6 S25_Recycle S18

12 Comp Mole Frac (Hydrogen) 0.9971 0.4747 0.4747 0.9971 * 0.0334
13 Comp Mole Frac (Toluene) 0.0000 0.5061 0.5061 0.0000 * 0.0135
14 Comp Mole Frac (Methane) 0.0029 0.0193 0.0193 0.0029 * 0.8628
15 Comp Mole Frac (H2O) 0.0000 0.0000 0.0000 0.0000 * 0.0000
16 Comp Mole Frac (Benzene) 0.0000 0.0000 0.0000 0.0000 * 0.0903
17 Comp Mole Frac (Nitrogen) 0.0000 0.0000 0.0000 0.0000 * 0.0000
18 Comp Mole Frac (Oxygen) 0.0000 0.0000 0.0000 0.0000 * 0.0000
19 Comp Mole Frac (CO) 0.0000 0.0000 0.0000 0.0000 * 0.0000
20 Comp Mole Frac (CO2) 0.0000 0.0000 0.0000 0.0000 * 0.0000
21 Name S19 S10_Heater4 S19-Heater Toluene-Out DC1-Top
25 Comp Mole Frac (H2O) 0.0000 0.0000 0.0000 0.0000 0.0000
29 Comp Mole Frac (CO) 0.0000 0.0000 0.0000 0.0000 0.0000
30 Comp Mole Frac (CO2) 0.0000 0.0000 0.0000 0.0000 0.0000
31 Name DC1-Bot
32 Comp Mole Frac (Hydrogen) 0.0000
33 Comp Mole Frac (Toluene) 0.9992
34 Comp Mole Frac (Methane) 0.0000
35 Comp Mole Frac (H2O) 0.0000
36 Comp Mole Frac (Benzene) 0.0008
37 Comp Mole Frac (Nitrogen) 0.0000
38 Comp Mole Frac (Oxygen) 0.0000
39 Comp Mole Frac (CO) 0.0000
40 Comp Mole Frac (CO2) 0.0000
41
42
Energy Streams Fluid Pkg: All
43 Name QP-1 QHC-1 QC-1 QC-2 QC-3

45 Name QHC-2 QF-1 QHC-4 QH-5 QC3
47 Name QC-DC1 QR-DC1
48 Heat Flow (kJ/h) 6.675e+006 3.920e+006
49
50
Unit Ops
51 Operation Name Operation Type Feeds Products Ignored Calc Level
52 Mixer1_Toluene Mixer Toluene S2 No 500.0 *
53 Hydrogen S16
Mixer2_Hydrogen Mixer No 500.0 *
54 S25_Recycle
55 S16 S4
Mixer3_TolueneH2_Outlet Mixer No 500.0 *
56 S3
57 Mixer4 Mixer S6 S7 No 500.0 *
58 S12 Methane
Mixer5 Mixer No 500.0 *
59 S18
60 S2 S3
P-100 Pump No 500.0 *
61 QP-1
62 Heater-1 Heater S4 S5 No 500.0 *
1
4 USA
5
6
8
9
10
Unit Ops (continued)
11 Operation Name Operation Type Feeds Products Ignored Calc Level
12 Heater-1 Heater QHC-1 No 500.0 *
13 S11 S25
Heater-2 Heater No 500.0 *
14 QHC-2
15 S5 S6
Furnace-1 Heater No 500.0 *
16 QF-1
17 S10 S10_Heater4
18 QHC-4
19 S19 S19-Heater
20 QH-5
21 S7 S8_Bot
Reactor Conversion Reactor No 500.0 *
22 S8_Top
23 S8_Top S8_Cooler
Cooler-1 Cooler No 500.0 *
24 QC-1
25 DC1-Top S19_Cooler
26 QC-2
27 S9 S9_Cooler
28 QC-3
29 DC1-Bot Toluene-Out
E-100 Cooler No 500.0 *
30 QC3
31 Valve-1 Valve S8_Cooler S28_Valve No 500.0 *
32 Valve-3 Valve S19_Cooler Benzene No 500.0 *
33 Valve-4 Valve S10_Heater4 S10_Valve No 500.0 *
34 S28_Valve S10
FlashD-1 Separator No 500.0 *
35 S9
36 S9_Cooler S12
FlashD-3 Separator No 500.0 *
37 S11
38 S10_Valve S19
Flash-3 Separator No 500.0 *
39 S18
40 RCY-1 Recycle S25 S25_Recycle No 3500 *
41 S19-Heater DC1-Bot
42 DistillationColumn-1 Distillation QR-DC1 DC1-Top No 2500 *
43 QC-DC1
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62

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SKTK 4153

ALIF AZLI BIN AZLAN CHOONG (A17KT0017)

CHAPTER 1 PRODUCT SELECTION ................................................................................ 1

CHAPTER 2 PROCESS CREATION AND SYNTHESIS ................................................ 34

CHAPTER 3 PROCESS SIMULATION, HEAT INTEGRATION, AND PROCESS

CHAPTER 4 EQUIPMENT SIZING AND COSTING ..................................................... 88

CONCLUSION .................................................................................................................... 127

1.1 CHEMICAL PRODUCT BAKGROUND

Benzene (C2H6) simplest organic, aromatic hydrocarbon and parent compound of

Benzene is a colourless liquid with a characteristic odour of formula C6H6. Benzene is

Figure 1.1 2-D structure of Benzene

1.1.1 BENZENE PRODUCTION

In Europe, benzene is obtained primarily from pyrolysis gasoline coproduced in the

1.1.2 APPLICATION OF BENZENE

According to a recently conducted research about the global benzene market, as an

1.2.1 WORLD AND LOCAL DEMAND

Figure 1.2 Partition of Region that produce Benzene

Through efforts provided by the government and Petroliam Nasional Berhad

Currently, the demand of benzene is dominated by ethylbenzene manufacturers that

China Petroleum & Chemical Corporation (Sinopec, China) and ExxonMobil

• Wilhelmsen Ship Management. Kuala Lumpur, Malaysia.

Figure 1.3 Price of Benzene by day

1.3.1 PROCESS SELECTION

Catalytic Reforming Process

Toluene Hydrodealkylation Process

Toluene Disproportionation Process

1.3.1.1 REACTION 1: CATALYTIC REFORMING PROCESS

Catalytic reforming is a high temperature catalytic process to convert low-octane

1.3.1.2 REACTION 2: TOLUENE HYDRODEALKYLATION PROCESS

Toluene hydrodealkylation is a process to convert toluene to benzene. The process is

Feed Mixer Reactor Separator

MTDP-3 process is the state-of-the-art process for toluene disproportionation to

Figure 1.10 Process Flow Diagram of Toluene Disproportionation.

a) Reaction 1: Catalytic Reforming Process

Table 1.1 Prices of Chemical Reactants and Products for Reaction 1

Chemical Price (RM/kg) Source of Reference

Naphtha 1.56 Trading Economics (2020)

Benzene 2.26 Echemi (2020)

Toluene 2.10 Echemi (2020)

Xylene 2.15 Echemi (2020)

Hydrogen 3.30 Trevor Brown (2019)

b) Reaction 2: Toluene Hydrodealkylation Process

Table 1.2 Prices of Chemical Reactants and Products for Reaction 2

Chemical Price (RM/kg) Source of Reference

Toluene 2.10 Echemi (2020)

Hydrogen 3.30 Trevor Brown (2019)

Methane 4.71 Global Petrol Prices (2020)

Benzene 2.26 Echemi (2020)

c) Reaction 3: Toluene Disproportionation Process

Table 1.3 Prices of Chemical Reactants and Products for Reaction 3

Chemical Price RM/kg Reference

1.3.3 GROSS PROFIT CALCULATION

Reaction 1: Catalytic Reforming Process

Table 1.4 Gross Profit calculation for Reaction 1

Aspects Reactant Products

Reaction 2: Toluene Hydrodealkylation Process

Table 1.5 Gross Profit calculation for Reaction 2

Aspects Reactants Products

Reaction 3: Toluene Disproportionation Process

Table 1.6 Gross Profit calculation for Reaction 3

Aspects Reactant Products

Reaction 1: Catalytic Reforming Process

Table 1.7 Prices of Chemical Reactants and Products for Reaction 1

Cost of Feed Very low feed cost