Documente Academic
Documente Profesional
Documente Cultură
Cumene Plant
By virtue of predicted rises in the demand for phenol-derived plasticizers, Dr Who Chemicals
Ltd. has requested a feasibility study for commissioning a new industrial grassroots phenol
plant to enter the global market. A preliminary design outlining the technical and economical
aspects of such venture was established to provide the required 100, 000 metric tonne of
cumene per year, for a ten year tenure.
Assessment of individual processes incorporated with the defined process synthesis enabled
development of the proposed process outlined. The suggested process rationale was inclusive
of a profitable scheme, whereby means of infrastructure, location and costings were in
consideration.
Operations will be located in Thailand, deemed the most appropriate setting for such a set up
where all feed stocks, utilities, equipment, ports and labour are easily accessible. The plant
will be in operation for 330 days of the calendar year to effectively meet product demands.
Sustainable operations of plant life are achievable so that expansion and/or decommissioning
can be accommodated with ease care of simplistic design. Fundamentally the design of the
proposed plant is to run continuously to compete economically with other manufacturers in
the global market.
To facilitate 100,000 metric tons of cumene produced per year, the proposed cumene plant
will require 65940.47 tonnes of benzene and 37524.94 tonnes of propylene per year from feed
stocks to facilitate such criteria. The proposed cumene plant design also produces 1085.04
tonnes of p-diisopropylbenzene and 7828.2 tonnes of fuel gas per year as side products, which
either can be re-used or externalised. Annual utility charges were estimated to total
$4,323,085.57, which covered electricity, steam, cooling water and fuel gas expenses.
Simplicity in the proposed process for producing cumene conserves the quantity of major
equipment requirements as well as the quantity of utility requirements. A shell and tube
reactor in addition to a flash separator and two distillation columns are incorporated within
the plant design to attain the desired product. Pumps, coolers and heat exchanger networks are
also essential components to the design and are integrated accordingly.
Indicative of an initial study, the estimated cost installed up and running was $3.35 million for
the proposed cumene plant, inclusive of a two year construction period. The estimated annual
revenue of the proposed process amounts to $155.8 million with operating costs totalling
$149.6 million per year.
Process alternatives included a differential feed of pure and impure propylene feed. Net
present value (NPV) investigations found the pure propylene feed to be an unfeasible avenue
of operation whereas, the impure propylene feed alternative returned a NPV of $22.5 million.
By means of an impure propylene feed, the hurdle rate requirement of a 9% rate of return
would be exceeded by a 672% rate of return. Together with an exceptional economic return, a
pay-back period for the proposed cumene plant can be expected within approximately 1.57
years.
Thus based on an economical analysis, the ten year tenure for the proposed cumene plant is a
feasible business venture with the initial investment yielding a high return. A high degree of
confidence can be installed in the proposed cumene plant for Dr Who Chemicals Ltd. Whose
clients, investors and shareholders can absorb the same confidence for considerations in the
future.
TABLE OF CONTENTS
1. Introduction ......................................................................................................................... 1
1.1. Literature Survey ......................................................................................................... 1
1.1.1. Existing Process Alternatives ............................................................................... 1
1.2. Chemical and Physical Properties ............................................................................... 3
1.2.1. Benzene ................................................................................................................ 3
1.2.2. Benzene Market Information ............................................................................... 3
1.2.3. Propylene .............................................................................................................. 4
1.2.4. Propylene Market Information ............................................................................. 4
1.2.5. Cumene................................................................................................................. 5
1.2.6. Cumene Market Information ................................................................................ 5
1.2.7. P-Diisopropylbenzene .......................................................................................... 6
1.2.8. p-Diisopropylbenzene Market Information .......................................................... 6
1.2.9. Propane ................................................................................................................. 7
1.2.10. Propane Market Information ............................................................................ 7
1.3. Product Specifications ................................................................................................. 7
2. Design Basis and Assumptions ........................................................................................... 8
2.1. Design Rationale.......................................................................................................... 8
2.1.1. Feed and Product Data ......................................................................................... 9
2.1.2. Operation Time .................................................................................................... 9
2.1.3. Contingency Plan ................................................................................................. 9
2.2. Assumptions .............................................................................................................. 10
2.3. Synthesis Method ...................................................................................................... 10
2.3.1. Douglas Approach .............................................................................................. 10
3. Mass and Energy Balances ............................................................................................... 15
3.1. Estimates .................................................................................................................... 15
3.1.1. Raw Material ...................................................................................................... 15
3.1.2. Energy Requirements ......................................................................................... 15
3.2. Equipment .................................................................................................................. 16
3.2.1. Purpose ............................................................................................................... 16
3.2.1. Specifications ..................................................................................................... 18
3.3. Initial Mass Balance .................................................................................................. 19
3.3.1. Base Case Flow Table Design ............................................................................ 19
3.3.2. Reactor Modelling .............................................................................................. 20
i
3.4. Initial Energy Balance ............................................................................................... 21
4. HySYS ® Simulation ........................................................................................................ 22
4.1. Results ....................................................................................................................... 23
4.2. Comparison with Manual Calculations ..................................................................... 27
5. Plant Layout ...................................................................................................................... 28
5.1. Layout ........................................................................................................................ 28
5.2. Location ..................................................................................................................... 29
5.3. Environmental Concerns ........................................................................................... 30
5.4. Safety in the plant ...................................................................................................... 32
6. Economic Appraisal .......................................................................................................... 34
6.1. Capital Costs .............................................................................................................. 34
6.2. Subsidiary Costs ........................................................................................................ 36
6.3. Operating Costs ......................................................................................................... 37
6.4. Annual Income .......................................................................................................... 38
6.5. Investment Analysis .................................................................................................. 39
6.5.1. Impure Propylene Investment Analysis ............................................................. 39
6.5.2. Payback Period and Sensitivity Analysis for impure propylene feed ................ 40
6.5.3. Pure Propylene Investment Analysis .................................................................. 42
6.6. Conclusion ................................................................................................................. 43
7. References ......................................................................................................................... 44
APPENDIX A: Drawings......................................................................................................... 48
I. Block Flow Diagram ..................................................................................................... 48
II. PFD ............................................................................................................................ 49
III. Plant Layout ............................................................................................................... 50
APPENDIX B: Calculations .................................................................................................... 51
I. Manual Mass Calculations ............................................................................................ 51
II. Reaction kinetics........................................................................................................ 55
III. Manual Energy Calculations ..................................................................................... 60
IV. Distillation column .................................................................................................... 74
V. POLYMATH ............................................................................................................. 78
VI. Manual Economic Calculations ................................................................................. 80
APPENDIX C: Meeting Minutes ....................................................................................... 100
APPENDIX D: Attachments .............................................................................................. 130
ii
LIST OF TABLES
iii
Table 42. Summary of Sale ...................................................................................................... 90
Table 43. Amount of material produced per year from HySYS simulation ............................ 90
Table 44. Annual Revenue from sale ....................................................................................... 90
Table 45. Parameters used for NPV (impure feed) .................................................................. 92
Table 46. Parameters used for NPV (pure feed) ...................................................................... 92
Table 47. Sensitivity Analysis (Impure Propylene feed) ......................................................... 97
Table 48. Sensitivity Analysis (Pure Propylene feed) ............................................................. 97
Table 49. Summary of Pay-back period ................................................................................... 99
iv
LIST OF FIGURES
v
ALLOCATION OF WORK
Name Achievements
Toby Nihill Material Summary – Benzene, DIPB
Material Costing – Benzene, DIPB
Equipment Summary – Heater, Reactor
Equipment Costing – Heater, Reactor
Research – Chemicals and Units
Design Rationale
Utility Requirement Research
Utility Requirement Calculations
Referencing
Compilation of Report
Roy Ankan Research
Literature Review
Initial Process Flow Diagram
Equipment Summary – Feed Vessel, Vaporizer
Project Outline/Scope
Alternative 3 Rationale
Alternative 4 Rationale
Economic Analysis
Scott Wearing-Smith Material Balances
Energy Balances
Catalyst Research
Douglas Approach
Equipment Costing – Pump
Economic Analysis
Organisation of Meetings
Cassandra Cheang Research
Initial Material Balances
Material Summary – Propylene
Material Costing – Propylene
Process Flow Diagram
Douglas Approach
Meeting Minutes
Economic Analysis – Labour Cost
Sourcing of Plant Location/Layout
Safety Analysis
Compilation of Report
Xie Linglin Material Summary – Cumene
Material Costing – Cumene
Equipment Analysis – Condenser
Equipment Costing – Condenser, Heat Exchanger
Block Flow Diagrams
Catalyst Costing
Rationale for Use of Fuel Gas
James Ross-Naylor Material and Energy Balances
Reaction Kinetics
Douglas Approach
vi
HySYS Simulation
Material and Energy Balances/HySYS Simulation Report Write-up
Editing of Report
vii
1. Introduction
Project Description
Dr Who Chemicals Ltd, have predicted the rise in demand for their phenol based plasticizers.
The increase in demand for phenol requires a new phenol plant as well as a subsidiary cumene
plant, as cumene is the primary reagent for the production of phenol. A technical and
economic analysis, of a cumene plant capable of producing 100,000 metric tons of cumene
per year, is to be performed.
Project Objectives
The objective of the project is to analyze the construction of a grass roots cumene plant in the
areas of plant design and plant economics. Detailed objectives are:
Q MAX model
The Q-MAX model is the current industrial model used for the production of cumene. This
model is licensed by Chevron and in fact very little detail is available regarding this model
due to its owners not revealing process specifics. The Q MAX process is characteristic of a
exceptionally high yield of cumene over a regenerative Zeolite catalyst, QZ 2000/QZ2001
(Ceasar, M 1999). The process also produces minimal waste.
The QZ 2000/ QZ 2001 catalyst allows for a good yield and quality of cumene. The catalyst
allows the feed to have a low flow rate of benzene, which allows for low raw material costs.
Furthermore, the regenerative properties of the catalyst reduce operating costs. The catalyst
also allows for more stability for impurities in the feed.
The Q-MAX process is able to yield near 85-95% of cumene with 5-15% yield of DIPB. The
Q-MAX process allows the DIPB to be reacted with recycled benzene for transalkylation to
produce additional cumene (Mahapatra 2010).
1
SPA Process
Designed in 1940, the SPA model was developed to produce cumene for high grade aviation
fuel. Today there are over 40 plants licensed worldwide that use this process. The catalyst
used in the SPA model uses a mixture of orthosilicon-phosphate, pyrosiliconphosphate and
polyphosphoric acid supported on kieselguhr (Degnan et all 2001). The feed of benzene and
propylene is in a ratio of 5:4 and the product is constituent of approximately 95 wt% cumene.
In the 1980‟s, Monsanto developed an Aluminum chloride process which could be operated at
a lower benzene to propane ratio. This process allowed the polyalkylated benzenes to the
transalkylated back to cumene (Degnan et al 2001).
Mobil-Badger Process
The Mobil Badger process was first commercialized in 1994 in Texas and is able to produce a
very pure composition of cumene, usually around 99.97 wt%. The high yield is obtained due
to the high monoalkylation selectivity of the MCM-22 catalyst used in the process. The
catalyst minimizes propylene oligomerization while retaining a high activity for benzene
alkylation. The catalyst can last for two to five years which reduces maintenance costs.
Before 2001, the Mobil-Badger process was responsible for producing approximately 50% of
the worldwide cumene capacity. A further three plants utilizing this process were scheduled
for construction by 2001. (Degnan et al 2001).
Enichem Process
The Enichem process was introduced in 1995 and used a modified beta catalyst. The process
used a benzene to propylene ratio of 4:1 and produced cumene yields and selectivities greater
than 99%.
The DOW 3-DDM process has been reported to have over 90% conversion values for cumene
with DIPB conversions of up to 65%. With reactors temperatures of 150 degree Celsius, the
process operates at lower benzene to propane ratios than the conventional SPA process. The
catalyst used in the Dow process is a dealuminated mordenite catalyst. Typically there are
coking problems with the mordenite catalyst but Dow has been able to solve this problem by
producing a system of mesopores that change the one-dimensional pore system of mordenite.
This is also known as the dealumination process.
The CDTech process is characteristic of cumene yields in excess of 99%. With relatively long
catalyst lifetime, the CDTech process is a very cost effective. Furthermore, this process is
similar to the Q-Max and Dow process as the DIPB produced is converted to cumene in a
second transalkylation reactor. Although the exact nature of the catalyst used in this process is
unknown, references have been made to zeolite Y, omega and beta catalysts.
2
1.2. Chemical and Physical Properties
1.2.1. Benzene
Table 1. Benzene Chemical Properties
Chemical
Benzene is a chemical compound used in the chemical industry for a wide variety of
commercial applications. Benzenes primary function is for use in the industrial manufacturer
of other chemicals and products. Products such as plastics, resins, lubricants and drugs are
made from benzene as a base reactant. The purchase price of Benzene is relatively cheap
($4.39USD/gal) due to its large volume of production. However, safety measures for reducing
the exposure of Benzene are costly.
3
1.2.3. Propylene
Table 2. Propylene Chemical Properties
Chemical
Propylene is a major industrial chemical intermediate that serves as an important raw material
for the production of a variety of chemicals and plastic products. There are three grades of
propylene varying in their purity. Its versatility in the industry is due to the combination of
mechanical and chemical properties and thus able to be part of the production of consumer
and industrial products such as electronic and electrical appliances, housewares and toys.
Commercial propylene is used to produce polypropylene, cumene and other chemicals for the
manufacturing of chemicals and plastics (ICIS, 2011). Propylene Market Analysts are
expecting a rise in the demand of propylene due to the recent natural disasters that hit Asia.
4
1.2.5. Cumene
Table 3. Cumene Chemical Properties
Chemical
Cumene is a manufactured chemical as a result from the reaction between benzene and
propylene. The cumene market is influenced by the automotive and construction markets as
well as phenol plants which use cumene in the production of phenol and acetone. Cumene
price is driven by its feedstock‟s and their availability but currently sells for $66/tonne (USD).
Visually, cumene is a colourless liquid and has a gasoline-like odour. It is stable at room
temperature but must be kept clear of oxidising agents as it is a flammable liquid.
5
1.2.7. P-Diisopropylbenzene
Table 4. p-Diisopropylbenzene chemical properties
Chemical
6
1.2.9. Propane
Table 5. Propane Chemical Properties
Chemical
Two specifications currently exist that determines the market and commercial character of
cumene is the ASTM D4077-11 and D7125-11(ASTM International). D7125-11 is produced
via the zeolite catalyst process.
7
2. Design Basis and Assumptions
A new pilot plant for the production requirements of cumene entails a comprehensive design
critique to establish a justifiable concept. Current operations as well as future operations must
be taken into consideration for expansion and decommissioning.
The concept of the plant designed to accommodate the increase in cumene as a result of an
increase in demand of phenol takes in to consideration the indefinite nature of the scenario.
The advantage of a simpler design in comparison to the Q-Max method gives rise to the
opportunity to expand upon and later refine the process if necessary. If at some point during
the assigned tenure an opportunity to increase production or operations occurred, the
simplicity of design would accommodate an increase easily.
As well as human interaction, the simplicity inherently provides more opportunity to control
the process. Less human interaction lowers safety and hazard risks and in the event of a
disaster, less human interaction will accommodate a safer working environment. Not only
does the simplicity provide savings in capital costs in comparison to the Q-Max model,
savings on labour can be achieved.
The Q-Max model requires more handling of unwanted materials, adding to capital costs.
The concept presented provides a design where less handling and external costs for treatment
are required.
To construct and install the required unit operations for the Q-Max method substantial capital
is required. Together with operating costs, the Q-Max method is relatively costly for a start up
plant to pursue. The provided concept is designed with simplicity so that when the cumene
plant is decommission or reached the end of operations, the equipment and operations can be
used for other processes. The Q-Max method appears too cumene specific, which is why the
concept presented, is the recommended model to follow in operations.
8
2.1.1. Feed and Product Data
The tables below are a summary of the chemical purity of the inlet and outlet streams of the
chosen Cumene Process.
Feed Data:
Table 6. Feed Data
Chemical Purity
Benzene 100 %
Propylene 95% Propylene
5% Propane
Product Data:
Table 7. Product Data
Chemical Purity
Cumene 99%
The team has decided to base our production on 330 day/yr. This is to account for plant shut-
down and start-up, and maintenance of the plant.
It is important to consider any catastrophe event like the failure of the reactor or distillation
column, heat exchanger or pumps. Backup of a smaller volume of the reactor and distillation
column will be built alongside the main equipments of the plant. This is to account for the
failure of these two main equipments in the production of Cumene. However a smaller
volume will result in a smaller production of Cumene.
There will be an additional pump beside the main pump for every pump considered in the
design. In the event of a failure, the backup pump will instantaneously start running so as to
not cause a stoppage of flow in the production. A generator will be included in the
contingency plan as well in the event of a power outage, so that the plant will be able to
continue running for some time without the mains supply.
If there happens to be an insufficient supply of water for the process, water can be used from
the effluent disposal plant (where plans to treat water before disposing it into natural streams)
water. An alternative to this is to have a water tank within the plant that will only be used
during an emergency shortage or outage of water supply.
9
2.2. Assumptions
This section contains the assumptions made for the whole process of the plant design.
Although this is a separate set of assumptions from those used during manual material and
energy balances, these assumptions are also used within calculations.
Excluding shut-down, start-up and maintenance, the plant will be running for a net
total of 7920 hours per year (330 24-hour days per year).
Benzene feedstock is supplied with negligible impurities, and stored at a temperature
of 298 Kelvin (25 degrees Celsius) and a pressure of 1 bar.
Propylene feedstock is supplied with a 5% impurity of propane (by mole), and stored
at a temperature of 298 Kelvin and a pressure of 25 bar. The high pressure is
necessary to maintain liquid phase. The assumption of 5% impurity is to be compared
with a feedstock of negligibly impurities.
The reactor has a volume of 6.5 cubic metres, a feasible value taken from the example
given by Turton et al. (2009).
No chemical reactions beyond the two investigated take place within the process. The
effect of further trace reactions was deemed beyond the project scope.
A cumene product purity of 99% by mole (the minimum design requirement).
When comparing between using 95% propylene feed and 100% propylene feed, the
changes in equipment sizes and energy duties are insignificant and therefore may be
ignored.
The scale of the process is the production of 100,000 metric tons of cumene per year, which is
far beyond the plausible scope of a batch process, hence it is determined that a continuous
process is ideal. The small number of major feeds (two) and products (three) also favour a
continuous process over batch operation.
The selection of a continuous process implies that the economy of scale is applicable,
simplifying scale-up of the process. A drawback is the lack of flexibility of price.
10
Input-Output Structure
Simple material balances are conducted to determine key stream flow rates of the preliminary
PFD. Estimated values for the cost of each material are taken from ICIS 2011, Chemical Price
Reports. It is determined that the overall profit based on input-output structure is positive, and
hence the process is feasible.
11
Figure 2. Input-output structure as displayed on PFD
Figure 3. Input-output structure as displayed on PFD, with all utility streams highlighted
It is assumed that benzene is purified prior to entering the process and contains negligible
contaminants. Propylene has an inherent impurity of 5mol% propane and the effect of using
purer feed is investigated over the course of the report. The further purification of streams
prior to entering the process is deemed unnecessary.
12
It is decided to recycle unreacted benzene so as to obtain a higher concentration of benzene in
the reaction mixture, favouring the production of cumene. The possibility of using gas recycle
to recover unreacted propylene is investigated but dismissed for two major reasons:
That propylene is a reactant in the formation of unwanted p-DIPB, and the higher
proportion of propylene in the reaction mixture would hence lead to a lower selectivity
of the production of cumene over p-DIPB; and
That the gas recycled would lead to a higher proportion of inert propane in the
reaction mixture, decreasing the rate of production of cumene.
The only by-product created by reaction in this process is p-DIPB, and this reaction is not
reversible. Hence there is no possible advantage in recycling this by-product.
The only structural change ultimately made to the initial PFD was to combine all inlet feed
and recycle streams before the usage of heat exchange with the reactor effluent. This saves the
cost of an additional heat exchanger since two potential streams are combined into one.
Recycle Structure
As stated above, a single recycle stream is determined to be necessary, that being a stream
containing unreacted benzene, separated from products cumene and p-DIPB using distillation.
As benzene is consumed in reaction to form the desired product, the system will come to
equilibrium and no purge is necessary.
Literature studies yield the result that the reaction of propylene and benzene to form cumene
in practice gives high conversion values, and hence multiple reactor systems are largely
unnecessary and will only increase costs. Similarly, as the conversion is already high, no
measures need to be taken to shift the equilibrium. A gas compressor also is not required as
the pressures involved in the system can easily be achieved by pumps, so there is no
requirement for the additional expense.
It is proposed that a shell and tube reactor is best suited to the reaction, with a heated jacket
containing a heat carrier in order to maintain the inlet and outlet temperatures. Benzene is
preferred as an excess reactant over propylene, since the latter also reacts to form undesired p-
DIPB. This is achieved by the recycling of unreacted post-reactor benzene.
At this point of time, a full economic analysis has not been done for the reactor as energy
balances and equipment sizing research are both incomplete. It is assumed that the reactor
costs will contribute to the capital costs of the plant due to manufacturing and catalyst pricing,
as well as contributing to the ongoing utilities costs. As the reactor is an irreplaceable part of
the process, costs involved is deemed unavoidable should the proposed design go ahead.
13
Separation System
The reactor effluent is a vapour that is then cooled such that the components benzene, cumene
and p-DIPB are condensed to liquid form. A gas separator completely removes the unreacted
propylene and propane as fuel gas. Distillation columns are then used to separate the benzene
from the product mixture, and then the desired cumene from the undesired p-DIPB. The
benzene is recycled to the reactor feed, while cumene and p-DIPB are withdrawn as products.
HE-100: Used to pre-heat the feed prior to furnace heating, while cooling the reactor
effluent stream. In this manner maintenance and utility costs are saved compared to
the usage of separate heat exchangers with cooling water/steam.
CW-100: Used for further cooling of the post-reactor stream.
CW-101: Used for further cooling of the post-reactor stream. This is a redundant
operation and is removed from our final PFD.
HE-101: Used to pre-heat the feed to the benzene distillation column using the heated
p-DIPB product stream as a heat carrier.
CW-102: Condenser for the benzene column tops stream.
HE-102: Reboiler for the benzene column bottoms stream.
CW-103: Condenser for the cumene column tops stream.
HE-103: Reboiler for the cumene column bottoms stream.
14
3. Mass and Energy Balances
3.1. Estimates
The raw materials needed for the Production of Cumene are Benzene and Propylene.
15
3.2. Equipment
3.2.1. Purpose
Feed Vessel
The feed to the vaporizer in the process is an immiscible liquid-liquid system of benzene and
propylene. Therefore an agitated vessel is required to create this mixture of the feed reactants.
Agitation of the liquid feed is required as it is key to the coalescence of the reactants. The feed
vessel will consist of an impeller capable of mixing the liquids to the required state
whereupon; it is pumped to the vaporizer. In conjunction with the feed vessel is a reflux
stream, which is designed for the case of an emergency when the feed to the reactor must be
stopped. The agitator in the vessel is made from stainless steel and the vessel can be made
from stainless steel or carbon steel.
Vaporizer
The purpose of the vaporizer or boiler is to heat the now mixed reactants to the required
temperature for the reaction. Typically the liquid is heated in the furnace by a fuel. It is
essential that the design is optimized for the vaporizer to be as close to the reactor as possible,
or the utilization of jacketed piping to ensure that no energy is lost in the transfer of reactants.
Furthermore the vaporizer is jacketed to ensure that no energy is lost. A vaporizer is usually
constructed from carbon steel, stainless steel and nickel alloy.
Heater
Prior to any reaction occurring, to optimise exothermic reactions the addition of heat will
favour the forward reaction and produce more products. Hence, a fired heater unit will deliver
the process fluid containing raw materials to the reactor at a pre-determined temperature for
subsequent processing. Adding heat to the process fluid increases contact between reactants in
the reaction vessel and produces more cumene at a faster rate. Typical materials for designing
the heater will have heat-resisting insulation inside the vessel and the vessel structure will be
made from heat-resisting alloy and steel.
Reactor
The production outlined involves a chemical process where raw materials react to form
product Cumene. An industrial sized chemical transformation requires the reaction to take
place in a vessel to facilitate and optimise contact between raw materials to generate the
desired Cumene specifications. The reactor size and type is dictated by the mode of operation,
geometric configuration and the contacting patterns involved.
Reactors are designed based on system requirements and to parameters which best suit
process operations. For the production of Cumene, a shell and tube reactor will operate
accordingly such that tubes inside the reactor packed with catalyst pellets promote contact of
the reaction fluid passing through available void space.
16
Tubes within the reactor are long and wind back and forth to maximise time inside the
reactor. Hence increasing contact between reactants and catalysts maximises the extent of
achievable conversion. Reaction mixtures often have inherent corrosive properties and
therefore require a type of stainless steel alloy or an alloy liner for protection. To control
reactor conditions, the vessel is fitted with a controlled cooling jacket attached to the exterior
of the reaction vessel.
Cooler
Subsequent processing of the shell and tube reactor product is required due to the nature of
cumene production. The removal of unwanted propane and propylene from the process fluid
is achieved via a separator, which requires the process fluid to be cooled before separation to
a desired temperature. This enables desired products to be separated from undesired products
easily.
Aluminum is a typical material for a cooler because of its affordability as well as having a
high thermal conductivity, which helps keep the cooled stream at low temperatures and not
gain heat.
Distillation Column
Distillation is a separation process widely used in the chemical industry (Doherty, M.F. and
Knapp, J.P. 2004). Distillation columns are vertical, cylindrical vessels that contain trays or
packing to provide maximum contact for rising vapour and descending liquid (Fair, J.R.2001).
The difference between a separator and a distillation column is that no separating agent is
needed. Depending on the type of process (scale and flexibility), the column can be run as a
batch or continuous process.
The principle of distillation column is based on the components different vapour pressure and
boiling points where at different temperatures yields different compositions. Distillation trays
are place to enhance the mass transfer, to facilitate the condensation of heavier and
evaporation of lighter components in a counter-current cascade. This facilitates in achieving
desired degree of separation. All separation process requires energy in the form of heat or
work. Typical distillation systems have a reboiler at the bottom where the temperature is the
highest.
There are different kinds of distillation trays and packing. Bubble cap trays, sieve trays,
moving valve trays, fixed valve trays are some of the common trays to name. It is important
to choose wisely on the type of trays as they differ in their capacity, efficiency, entrainment,
pressure drop, cost, and maintenance and corrosion factor. The same concept applies for
choosing a suitable packing if the system is not using trays to separate the mixture.
The disadvantages of using distillation columns are risk of thermal degradation and it requires
a high-energy demand (Stichlmair, J. 2010).
17
3.2.1. Specifications
The table below summarises the process specifications for the main streams. These streams can be seen in the PFD attached in Appendix A.
These values were calculated and placed into the table from the Manual Mass balances.
Table 10. Process Specifications
Stream Column1 Fresh Benzene Feed Mixed Benzene Feed Propylene Feed Mixed Feed Vaporiser Outlet Heater Outlet Compressor Outlet
Line No. 1 2 3 4 5 6 7
Temperature (C) 25.0 64.2 25.0 55.8 273.0 357.0 380.0
Pressure (bar) 1 25 25 25 25 25 50
Vapour Fraction
Mass Flow Rate(kg.hr^-1) 8226.710297 27391.84083 4737.549421 32129.39025 32129.39025 32129.39025 32129.39025
Component Flow Benzene 105.3167204 343.5647804 0 343.5647804 343.5647804 343.5647804 343.5647804
Rate (kmol.hr^-1) Propylene 0 0 106.6971368 106.6971368 106.6971368 106.6971368 106.6971368
Propane 0 0 5.615638778 5.615638778 5.615638778 5.615638778 5.615638778
Cumene 0 4.614386484 0 4.614386484 4.614386484 4.614386484 4.614386484
DIPB 0 0 0 0 0 0 0
Total 105.3167204 348.1791669 112.3127756 460.4919425 460.4919425 460.4919425 460.4919425
Reactor Outlet Vaporiser Effluent Separator Inlet Fuel Gas Ben Column Feed Benzene Recycle Ben Column Bottoms Cumene Product DIPB Product
8 9 10 11 12 13 14 15 16
380.0 162.8 80.0 80.0 80.0 80.5 153.0 152.9 209.4
50 25 25 1 1 1 1 1 1
18
3.3. Initial Mass Balance
In addition to the assumptions outlined in section 2.2, the following assumptions were made
only for the purpose of specifying the problem for manual calculations, and were not
maintained during the computational simulation. All were made based on the calculations and
final flow table obtained by Turton et al. (2009)
It was also assumed that the benzene distillation column (T-100) and cumene distillation
column (T-101) operated at external reflux ratios of 3 and 2 respectively, ratios that are
deemed acceptable through calculations using the McCabe-Thiele method (Appendix B,
section IV). This was maintained during computational simulation for the purpose of
specifying the columns.
Finally, it was assumed for the purposes of manual calculation that the ideal gas law applied
in all situations, that mixing is ideal, and the vapour-liquid equilibria and heat losses may both
be neglected. This was done for ease of calculation, particularly as chemical data at non-ideal
states could not be obtained through known literature sources.
Initial manual calculations did not use tearing or partitioning algorithms, due to the fact that
calculations were commenced before such methods were taught in Simulation and Concept
Design lectures. Instead, calculations were carried out using those by Turton et al. as a model,
in order to determine flow rates and compositions of all key streams for the specified outlet
cumene flow rate of 100,000 tons per year. This was retained as the “base case” scenario and
the input and output flow rates were used in the Douglas approach to determine the
profitability of the process. As the process was deemed profitable, the project was allowed to
proceed to reactor modelling.
19
3.3.2. Reactor Modelling
A system of differential equations was derived relating the flow rate of each individual
reaction component to the mass of catalyst within the reactor, with the reactor temperature
and pressure as variables. Polymath software was used to model the system at specified
temperature, pressure and initial conditions (flow rates into the reactor). The catalyst mass
could be determined as a function of the reactor volume and bulk density (both known) and
was found to be 5200 kilograms.
Investigation of the effect of temperature and pressure on the extent of reaction yielded that
high temperature and pressure was required to achieve acceptable production of cumene.
Conditions of 653 Kelvin (380 degrees Celsius) and 50 bar were chosen so as to maintain the
reaction mixture as supercritical fluid (disregarding trace amounts of DIPB). Critical
pressures and temperatures from Yaws (1999) are listed in Table 12.
Table 11. Critical Temperatures and pressures of process materials
Running the software at the determined conditions yielded flow rates at the “final” catalyst
mass of 5200 kilograms that were representative of the reactor outlet flow rates. From the
inlet and outlet flow rates new values for the cumene-DIPB selectivity and propylene
conversion were calculated. Wegstein‟s method of iteration was then used to find convergent
values for the selectivity and conversion and hence the associated flow rates. These new
values resulted in an input-output profit that was recorded. This iterative procedure was
carried out several times at varying benzene-propylene feed ratios, in order to determine the
feed ratio at which input-output profit was maximised. The flow rates at this condition were
fixed in the final flow table for the purpose of manual calculations.
During the process of calculation it was determined that the reaction selectivity of cumene to
DIPB was so high that the product purity had to be increased to prevent backflow along the
DIPB product stream. The product purity chosen was 99.9%.
20
3.4. Initial Energy Balance
Finally, individual energy balances were conducted throughout the system in order to
determine all undefined temperatures and the duties of all pumps, heat exchangers and other
equipment. It should be noted that the stated assumptions of recycle composition and total
recovery were used to determine condenser and reboiler duties as opposed to the use of
vapour-liquid equilibria to determine accurate compositions and flow rates, which would have
been extremely impractical due to the high purities involved.
Upon the completion of energy balances, all relevant information was compiled in the form of
a flow table showing the temperature, pressure, vapour fraction, enthalpy, mass flow rate and
component and total molar flow rates of each stream. These are displayed in Table 12.
Table 12. Compilation of detailed process specifications
Stream Fresh Benzene Mixed Benzene Propylene Mixed Vaporiser Heater Compressor Reactor Vaporiser Separator Fuel Gas Ben Column Benzene Ben Column
Feed Feed Feed Feed Outlet Outlet Outlet Outlet Effluent Inlet Feed Recycle Bottoms
Line No. 1 2 3 4 5 6 7 8 9 10 11 12 13 14
Temperature/C 25 64 25 56 273 357 380 380 163 80 80 80 81 153
Pressure/bar 1 25 25 25 25 25 50 50 25 25 1 1 1 1
Vapour Fraction 0 0 0 0 0.989979 1 1 0.998846 0.018566 0.018566 1 0.008017 0 0
Stream Enthalpy/kW 0 562.1805908 6.144017 568.3246 7607.723 9210.055 9665.88145 9481.323 2441.925 955.1994 33.93333 921.266038 539.8337 872.616553
Mass Flow Rate/kg.hr^-1 8226.710297 27391.84083 4737.549 32129.39 32129.39 32129.39 32129.3902 32129.28 32129.28 32129.28 288.4855 31840.7994 19165.13 12675.6689
Component Flow Benzene 105.3167204 343.5647804 0 343.5648 343.5648 343.5648 343.56478 238.2481 238.2481 238.2481 0 238.24806 238.2481 0
Rate/kmol.hr^-1 Propylene 0 0 106.6971 106.6971 106.6971 106.6971 106.697137 0.970944 0.970944 0.970944 0.970944 0 0 0
Propane 0 0 5.615639 5.615639 5.615639 5.615639 5.61563878 5.615639 5.615639 5.615639 5.615639 0 0 0
Cumene 0 4.614386484 0 4.614386 4.614386 4.614386 4.61438648 109.5216 109.5216 109.5216 0 109.521634 4.614386 104.907248
DIPB 0 0 0 0 0 0 0 0.409472 0.409472 0.409472 0 0.40947244 0 0.40947244
Total 105.3167204 348.1791669 112.3128 460.4919 460.4919 460.4919 460.491942 354.7657 354.7657 354.7657 6.586583 348.179167 242.8624 105.31672
21
4. HySYS ® Simulation
Simulation was carried out using Aspen HySYS. A tearing algorithm was used for the
benzene recycle stream, and convergence was obtained with only very slight differences in
the temperature and composition of the column distillate and the benzene mixed with the
fresh feed. The simulation was successful, giving a cumene product flow rate only slightly
below the required production. An adjustor was used to set the fresh benzene inlet to a value
such that the cumene outlet was sufficient.
It should be noted that all pumps and valves that did not affect the process conditions for
normal running of the process were neglected for simulation purposes. It should also be noted
that the benzene feed mixing vessel was replaced by a mixer, and the pre-reaction furnace was
replaced by a heat exchanger. These changes were made for ease of simulation only, and not
as a result of changes to the process. Other changes that were made due to process changes
are outlined in the next section.
22
4.1. Results
Figure 4. Print screen of HySYS, inclusive of Material Streams (Impure Propylene feed) workbook
23
Figure 5. Print screen of HySYS, inclusive of Energy Streams and Compositions (impure Propylene feed) workbook
24
Figure 6. Print screen of HySYS, inclusive of Material Streams for a pure propylene feed workbook
25
Figure 7. Print screen of HySYS, inclusive of Energy Streams and Compositions for a pure propylene feed workbook
26
4.2. Comparison with Manual Calculations
A major problem encountered during simulation pertained to the gas separator employed after
reaction and prior to distillation in order to remove propylene and propane as fuel gas. It was
found that the separator obtained insufficient separation of benzene from the desired fuel gas
components; regardless of operating temperature and pressure, some propylene and propane
(the latter undesirable as an inert) would remain within the system and enter the distillation
tower, while some benzene would exit as fuel gas. After expert advice from Dr. Hu Zhang
(September 26th 2011), it was determined that the gas separator should be replaced by a flash
drum, operating at a significantly higher temperature. This had the following implications:
The cooling water prior to the flash drum, CW-100, was removed entirely.
Additionally, the required load on HE-100 was significantly reduced, which resulted
in an increased load on F-100 in order to reach the required reaction temperature.
The bottoms outlet of the flash drum was at too high a temperature for distillation to
be effective; hence a new cooling water, CW-100, was added in prior to the column to
reduce the feed to fully liquid at 80 degrees Celsius.
Additionally, it was found after simulation that the purity of the benzene recycle was
significantly lower than the assumed value (79.0% c.f. 98.1%) and hence the total amount of
cumene in the reactor feed was higher at the expense of benzene. The extents of reaction were
similar within the reactor, although the conversion of propylene was better than the value
manually calculated, resulting in a lower outlet flow of propylene. The selectivity obtained
was acceptable for a product purity of 99%, although the simulation results indicated that a
very small amount of cumene was present in the DIPB product stream (0.23% impurity).
The furnace duty and all distillation condenser and reboiler duties showed significant errors,
being significantly greater than the manually calculated values. The increased furnace duty
was expected as rationalised due to the increased temperature difference required, while the
errors in condenser and reboiler duties are likely a result of the inaccuracy in the assumptions
used in manual calculations, particularly the change in recycle composition. All other duties
were within 50% of their manually calculated values, showing errors that could be
rationalised by inaccurate assumptions of ideal gas behaviour, total pump efficiency,
isothermal reactor flow and so on made within manual calculations.
27
5. Plant Layout
5.1. Layout
It is important for a chemical plant to be laid out to give the most economical flow of
materials and personnel around the site.
Figure 8 is a small diagram of the plant to be build. As seen from the figure,
Processes that are dangerous to an extent are located at a safe distance away from
administrative areas/buildings
Consideration was given for future expansion of the site
Ancillary buildings and services are present on site
Main processing units are present on site as well
The pilot plant does not require such a complicated and big area of land. Hence there is no
need for a separate plot of land for the processes to be situated at. The flare is located near the
furnace so that unwanted gaseous waste can be burnt off quicker whenever needed. An area
for fire fighting equipment is found in the layout. This is to allow field men to use them in the
event of a small fire or when there's a need to attempt to control a fire while waiting for the
firemen to arrive.
28
5.2. Location
Thailand
Thailand is a suitable location to set up our plant because of Australia and Thailand's free
trade agreement (Austrade 2011). Since the implementation in 2005, the reduction of the high
tax tariff has not only improved the bilateral relationship but also increase the range of
exported goods, trades, services and investment.
The chemical industry in Thailand has been developing at a higher rate as compared to other
industries. It also plays an important supporting role to many other industries(Thailand
Chemical 2009). Many of the chemical industries in Thailand are based on producing paint,
fertiliser, soap and chlorine. Despite that, there is still a sizable petrochemical industry present
of which most of the produce are exported(International Council of Chemical Associations
2011).
Another reason why Thailand was chosen is because of the cost of setting up a plant and the
water and electricity tariffs for a medium to large sized industry. The strong Australian dollar
today also helps when the plant is located in Thailand where the average exchange rate is
approximately, USD$1 = 0.033 Baht (October 2011).
Thailand has a tropical climate of 19-38oC average. The weather is generally hot and humid.
There will be no major problems to deal with the weathering of materials due to snow, strong
winds and floods(Tourism Authority of Thailand 2011). The plant will be located in Southern
Thailand, Hat Jai, where the weather conditions are more defined - wet and dry season. The
exact location will be in Mueang Songkhla district where it is near the Gulf of Thailand.
There is also a large number of expatriates living and working in Thailand. So there will be
not much of a problem for the Australians working in the company to move to Thailand to
oversee the cumene production.
It might seem illogical to have the production abroad, since the potential market will since be
in Australia. However, in the long run, production will be more cost effective and the Thai
employees are able to work longer hours for a much lesser salary as compared to Australia.
29
5.3. Environmental Concerns
Environmental hazards or pollution is the release of chemical waste that causes detrimental
effects. Vigilance is required in both the design and operation of process plant to ensure
that legal standards are met and that no harm is done to the environment. Considerations
must be given to:
Benzene, Cumene and Propylene when evaporated into the atmosphere will react with air and
break down eventually. However, when it evaporates and attaches to rain/and fall back into
earth via rain, will seep through soil and pass through as underground water. If there is an
incomplete combustion of propylene (fuel gas), carbon monoxide and carbon dioxide will be
emitted to the atmosphere, contributing to the problems we face like greenhouse effect and
acid rain. This can also prevent oxygen from binding together with our haemoglobin and
cause asphyxiation.
Benzene, Cumene and Propylene are partially soluble in water and so, it is important not for it
to seep into our water system. Because of its solubility, there is a need to test the water that
will be releasing to sea or drainage systems.
All these problems can be reduced if we do our part as workers of the chemical plant to prevent
the chemicals mentioned above from entering our ecosystem. Various chemical tests on our
effluent water and air can be done to ensure that it is of safe permissible limits. The safe
permissible limits of Thailand can be found in Tables 13 and 14.
Noise can cause a serious nuisance in the neighbourhood of a process plant. Noisy
equipment should, as far as practicable, be sited well away from the site boundary. Earth
banks and screens of trees can be used to reduce the noise level perceived outside the site.
30
Table 14. Thailand Emission standards for Industrial Effluent Standards (water)
These tabulated information were obtained from the Pollution Control Department website
(Pollution Control Department 2004).
31
5.4. Safety in the plant
General safety protocol will be practise in the plant. Anyone working in the plant is required
to wear proper PPE. To prevent respiratory effects on field men's health, air masks and gloves
should be worn when handling any chemicals. It is important to do any laboratory work with
the chemicals under an exhaust. Field men have to be brief on where are the fire emergency
routes, fire fighting equipments, meeting points in the event of a fire and the general
information of the plant.
Benzene, Cumene and Propylene are all flammable substances that when placed near open
sparks are heated above their flash points, will auto ignite and burst into flames. This may
result in explosion as well. Table 15 summarises the important chemical properties needed
throughout the production (Various MSDS-see attachment).
Table 15. Chemical Properties
The plant equipments also have relevant safety considerations. Various control valves are
assumed to be installed to the general equipments to control the temperature, level, pressure
and purity of products from a Digital Control Station.
A fire deluge system and water tank will be placed in the plant to fight any small potential
fires that may occur. They are presented in Table 16.
32
Table 16. Safety Considerations of major processes
33
6. Economic Appraisal
A study estimate was undertaken to obtain the costs from the preliminary plant design as
developed on HySYS. The estimation also takes into account subsidiary costs, such as yard
improvements, buildings, instrumentation and contingences. The probable error associated
with this estimation may lie anywhere between ± 20% - ± 30%. It is recommended that the
client undertakes definitive and detailed costs estimates before the project is sanctioned. This
will further improve the estimate accuracy to within ± 2% - ± 5% of the actual capital cost.
Table 17 summarizes the probable accuracies against the available cost estimation methods.
Table 17. Summary of available cost estimation methods
The fixed capital cost is estimated to obtain an approximate price for total cumene plant
installed, up and running. The cost for the equipment was obtained from an online cost
estimator based on Peters, Timmerhaus and West 2003. The parameters used for the cost
estimator are described in Appendix B: Section VI. The costs were adjusted for inflation by
using CPI data available from the US government, which is also available in Appendix B:
Section VI. The equipment costs are presented in Table 18.
34
Table 18. Summary of Equipment Cost
Name Number Size Reference Year Reference Cost (USD) Current Costs (USD) Installation cost included (USD)
The subsidiary costs such as instrumentation, land, buildings and contingencies were obtained
as factors of the total equipment cost. These factors were obtained from (Peters and
Timmerhaus 1991). These costs take into account:
Control
Piping
Electrical Installation
Buildings
Yard Improvement
Land
Construction
Contractors cost
Contingency
Startup expense
Factor of Cost
Type
Equipment cost (USD/year)
Control 0.06 91230.9
Piping 0.13 197667
Eletrical Installation 0.03 45615.45
Buildings 0.45 684231.8
Yard Improvements 0.08 121641.2
Land 0.04 60820.6
The design and commissioning costs summarized in Table 20 are obtained as a factor of the
total capital cost which is the sum of equipment costs and costs described in Table 19. The
design and commissioning cost is shown as the start-up cost.
Table 20. Design and Commissioning Cost
36
The total cost for the cumene plant installed, up and running is shown in Table 21.
Table 21. Total cost of installing a Cumene plant
The operating costs or the manufacturing costs are the costs incurred for daily operations;
generally the costs are sub divided into fixed costs and variable costs. However for the scope
of this study, we have assumed that the product output is constant, thus, eliminating the
variable costs. The operating costs for the plant are summarized in the table below. The
maintenance costs were determined as a fraction, 2 %, of the total capital expenditure. The
utilities costs are explained in detail in Appendix B: Section VI.
Table 22. Total Operating Costs
Value
Operating Costs
(USD/year)
Benzene 85661532
Propylene 59570834.4
Employee Costs 52440
Maintenance 67072.73873
Utilities 4323058.57
Total 149674937.7
37
6.4. Annual Income
The cumene plant has two sources of income; the cumene, the major product and the fuel gas.
The sale prices of cumene and fuel gas was estimated to be competitive with the market
prices; as a result, the sale prices as obtained from Reed Business Information Ltd (2011) are
shown in Table 23.
Table 23. Sale prices of cumene and fuel gas
The annual income based on the product outputs obtained from HySYS were then determined
to be as shown in Table 24.
Table 24. Annual income of products
38
6.5. Investment Analysis
An NPV analysis was undertaken to determine the economic feasibility of the proposed plant
for the 95% propylene/5% propane and pure propylene feed cases. NPV and sensitivity
analysis tables for both cases are presented in Appendix B: Section VI.
A discount rate of 9%, which was also the hurdle rate, was used to discount the future cash
flows. The NPV analysis showed that a profit of $22.5 million was made for the 10 years of
plant operation. The rate of return was determined to be 672%, which was well above the
required hurdle rate of 9%. Figure 9 shows the cumulative cash flows and the discounted
cumulative cash flows.
50
Millions
y = 4E+06x - 7E+06
40
30
Dollar value
0
0 2 4 6 8 10 12 14
-10
Year
39
The rate of return based on the net profit and initial investment has been summarized in Table
25.
Table 25. Rate of Return
Investment Value
3353637
Capital Cost
22547886
Net Profits
672%
Rate of return
6.5.2. Payback Period and Sensitivity Analysis for impure propylene feed
Payback time is a useful analysis for judging projects with short life times. It determined the
time required after the start of the project to pay off the initial capital expenditure. The
payback periods are shown in Table 26.
Table 26. Cash flows
The sensitivity analysis was performed to demonstrate the dependence of the NPV on the cash
flows into and out of the process. The analysis indicated that the operation‟s NPV is most
dependent on the revenue; and least dependent on the employee costs. The sensitivity analysis
has been summarized in Table 27. Details calculations are shown in Appendix B: Section VI.
Table 27. Sensitivity analysis
To demonstrate the influence of a change in the revenue on the NPV; and the change of the
employee costs on the NPV, the revenue and employee cash flows were increased by 20 %.
40
For a change of 20% of the revenue, the NPV increased to $149 million. For a 20% increase
in the employee costs the NPV decreased to $ 39.55 million. A change of 276% was observed
for a 20% increase in the revenue where as a 0.1% decrease was observed for a 20% increase
in the employee costs. This demonstrates the influence of a high and low sensitive cash flow.
Table 28 summarizes the change in NPV.
Table 28. Sensitivity demonstration
41
6.5.3. Pure Propylene Investment Analysis
The possibility of using pure propylene in the feed was also considered. The economic
feasibility of this proposal was investigated by a NPV analysis. A comparison was then made
to the impure propylene feed alternative. The price of pure propylene is summarized in Table
29.
Table 29. Price of Pure Propylene
The NPV analysis returned a value of -$5690738, as seen in Figure 10. This took into the
assumptions that the change in the duties was negligible; thus implying that only the cost of
the propylene and revenue from the fuel gas were the parameters which showed significant
change.
0
Millions
0 5 10 15
-1
-2
-3
Dollar value
-4
Cumulative cash flow
-5
Cumulative discounted cash flow
-6
-7
-8
-9
Year
A sensitivity analysis showed that the feeds and the revenue had the largest impact on the
NPV. This was expected as the price of the propylene and the revenue from the fuel gas was
changed significantly.
Since the NPV was negative, this is not a feasible alternative since there are no returns on the
initial investment.
42
6.6. Conclusion
The economic analysis was comprised of two sections; the cost estimation and the investment
analysis. Based on a study estimate, on the alternative with the impure propylene feed, that
returns an accuracy of ± 20% - ± 30%, we found that the initial capital cost for the plant to be
installed up and running was approximately $ 3.34 million. The operating cost per annum was
determined to be $ 149.6 million and annual revenue of $ 155.8 million.
A discount rate of 9% returned an NPV of $ 22.5 million, which gave a rate of return of 672
% on the project. This rate is well above the required hurdle rate of 9%. A sensitivity analysis
indicated that project is most sensitive to the revenue, 3215.64%; and least sensitive to the
employee costs, -1.08%. The payback time for the project was determined to be 1.57 years,
according to the cumulative cash flow method.
A NPV analysis on the alternative with the pure propylene feed indicated that the NPV was -
$5.6 million. This suggested that this was not a feasible option. Furthermore, the sensitivity
analysis indicated that the NPV depended most on the feeds and the revenue cash flows.
Based on the economic analysis performed, the proposed cumene process with the impure
propylene feed is a feasible business venture with the initial investment yielding a return of
approximately $22.5 million.
43
7. References
Ceasar, M 1999, The Production of Cumene using Zeolite Catalyst, SRI Consulting,
California.
Degnan, TF, Smith, CM, Venkat, CR 2001, „Alkylation of aromatics with ethylene and
propylene: recent developments in commercial processes‟, Applied Catalysis, vol. 221,
pp.283-294, viewed 26 July 2011, (Elsevier Science)
Doherty, M.F. and Knapp, J.P.2004. Distillation, Azeotropic, and Extractive. Kirk-Othmer
Encyclopaedia of Chemical Technology
Engineers Guide: Cumene production flow sheet and Process description 2011, Cumene
production flow sheet and Process description. Viewed 31 July 2011,
<http://enggyd.blogspot.com/2009/09/cumene-production-flow-sheet.html>.
Gera, V, Agarwal, S & Kaistha N 2010, Economic Design and Controllability Evaluation of
Alternative Processes for Cumene Manufacture, Indian Institute of Technology, Kanpur.
Griesbaum, K., Behr, A., Biedenkapp, D., Voges, H.-W., Garbe, D., Paetz, C., Collin, G.,
Mayer, D. and Höke, H. 2000. Hydrocarbons. Ullmann's Encyclopedia of Industrial
Chemistry
44
International Council of Chemical Associations 2011, Thailand, viewed 10 October 2011,
<http://www.icca-chem.org/Home/About-us/Members-of-the-ICCA/?country=th>.
Luyben, WL 2009, „Design and Control of the Cumene Process‟, Ind. Eng. Chem. Res., vol
.49, pp. 719-734, (American Chemical Society)
Mahapatra, N 2010, Design and Simulation of Cumene plant using ASPEN plus, National
Institute of Technology Rourkela, Rourkela.
Perego C, Ingallina P 2002, „Recent advances in the industrial alkylation of aromatics: new
catalysts and new processes‟, Catalysis Today, vol. 73, pp.3-22, viewed 27 July 2011,
(Elsevier Science)
Pollution Control Department 2004, Air quality and noise standards, viewed 12 October
2011, <http://www.pcd.go.th/info_serv/en_reg_std_airsnd03.html>.
Reed Business Information Ltd. (2011). Propylene. Viewed 25 August 2011. <
http://www.icis.com/v2/chemicals/9076453/propylene.html>.
Runckel & Associates 2005, Cost of Business and Investment in Thailand, viewed 10 October
2011, < http://www.business-in-asia.com/investment_costs2.html> .
Timmerhaus, KD, Peters, MS 1991, Plant Design and Economics for Chemical Engineers,
McGraw Hill Inc., New York.
Turton, R, Bailie, RC, Whiting, WB 2009, Analysis, Synthesis and Design of Chemical
Porcesses, Pearson Education, United States.
45
World Salaries.org 2008, Thailand Average Salary-Income Job Comparison, viewed 12
October 2011, <http://www.worldsalaries.org/thailand.shtml>
Yannich, PJ, Frisco, JA, Wu & M 1988, „Shape-Selective Reactions with Zeolite Catalysts‟,
Journal of Catalysis, vol. 109, pp.212-216, viewed 26 July 2011, (Academic Press inc.)
Zhang, H 2011, „Preliminary Process Design II Process Synthesis‟, lecture notes in the topic
3030 Simulation and Conceptual Design, University of Adelaide, viewed 29 July 2011.
46
APPENDIX A: Drawings
48
II. PFD
49
III. Plant Layout
50
APPENDIX B: Calculations
Assumptions
(2) Total recovery of cumene from cumene column (assumed reasonable for purpose of
manual calculations)
(5) Propylene feed has 5 mol% propane impurity, entering process at 298K, 25 bar (to be
investigated in comparison to pure propylene feed)
(7) Benzene to propylene feed ratio to reactor is 2:1 (optimised during calculations)
(8) Total recovery of benzene from benzene column (assumed reasonable for purpose of
manual calculations)
(9) Fresh benzene feed has negligible impurities, entering process at 298K, 1 bar
(10) Benzene recycle is 98.1 mol% benzene, 1.9 mol% cumene (assumed reasonable for
purpose of manual calculations)
(12) Reaction pre-heater HE-100 heats line 5 with an efficiency of 67% relative to the desired
reaction temperature
(13) Benzene distillation column T-100 has external reflux ratio of 3 (flow through condenser
to distillate).
(14) Cumene distillation column T-101 has external reflux ratio of 2 (flow through condenser
to distillate).
The ideal gas equation of state applies to the process fluid throughout the system.
All mixing of fluids is ideal and vapour-liquid equilibria may be neglected.
Heat losses associated through piping and process units may be neglected.
51
Base case material balances
Propylene balance
Stoichiometric amount of propylene required for reaction: 1 mole per mole cumene, 2 moles
per mole DIPB
52
From (4), propylene in feed = 110.3219/0.99 = 111.4362 kmol/hr
Propane balance
From (6), propane is retained throughout the process, exiting within fuel gas stream
Benzene balance
Stoichiometric amount of benzene required for reaction: 1 mole per mole cumene, 1 mole per
mole DIPB
53
Cumene balance
DIPB balance
Hence DIPB product = DIPB in cumene column feed – DIPB in cumene product
Undetermined total molar flow rates are determined by adding together flow rates of all
present components in each stream.
Undetermined mass flow rates are determined by multiplying the component molar flow rates
in each stream by the molecular masses of each component and adding together.
54
II. Reaction kinetics
1:
2:
Neither of these reactions involves propane (pa), which is assumed inert (6).
Both reactions are first-order in each reactant, with given rate constants:
(Note: rj in moles per gram catalyst second, kj in litres squared per mole gram catalyst second,
ci in moles per litre, R in kilocalories per mole Kelvin, T in Kelvin.)
Since benzene takes part in the first reaction with a stoichiometric number of –1 and does not
take part in the second, the following equation is obtained connecting the flow rate of benzene
with the mass of catalyst:
55
The molar concentration of a component is equal to the molar flow rate of the component
divided by the volumetric flow rate of the stream. The volumetric flow rate in turn is equal to
the molar specific volume of the reaction mixture multiplied by the total flow rate of the
stream. Hence the previous equation can be expressed as:
Where:
(Note: P in bars, R in litres bars per mole Kelvin here and henceforth)
56
This is a differential system where the derivatives of all component flow rates with respect to
catalyst mass are known in terms of the component flow rates and the reactor temperature and
pressure.
The system was modelled using a Polymath file. Code used may be found in Section V. The
flow rates at the initial condition (W = 0) were initially assumed equal to the base case flow
rates into the reactor as determined in the material balances. The conditions were assumed to
be 653K and 50 bar; this was validated later. The final condition was at the total mass of
catalyst in the reactor, which is proportional to the volume of the catalyst. From (11):
Thus, using the Polymath file, the final flow rates were evaluated and the selectivity and
conversion calculated as per the example shown below at the assumed feed ratio of 2:1:
= (final flow rate of cumene – initial flow rate of cumene) / final flow rate of DIPB
= (30.99081 – 0.623508)/0.221878
= 136.8646
Conversion of propylene
= (1 – 0.143447/30.95451) * 100%
= 99.5366%
Note that the extremely high value for cumene to DIPB selectivity results in a benzene
column bottoms of more than 99% purity cumene, implying a negative (i.e. backflow) value
for the DIPB product stream. For this purpose, here and henceforth wherever required, the
cumene product purity was altered to 99.9 mol%.
57
The new values were applied in order to calculate a new set of initial flow rates and the
process was iterated using Wergstein‟s method of convergence, in which the selectivity S
used for the next iteration is defined as:
Values were obtained by iteration using an Excel spreadsheet, and applied in order to create a
flow table with accurate flow rates for all key streams. Input and output flow rates were used
to assess the profitability of the proposed values, as shown in Table 30. Note that other factors
affected by flow rates and process conditions such as equipment costing are excluded.
Table 30. Summary of estimated profit for feed ratio f=2
Material In (kg/hr) Out (kg/hr) Estimated Value (US$/ton) Estimated Profit (US$/hr)
Benzene 8254.631 - 1308 -10,797.06
Propylene 4743.508 - 1543-1632 -7,530.32
p-DIPB - 107.40727 Not Available +0.00
Fuel Gas - 264.36176 604-605 +159.81
Cumene - 12626.263 1499-1521 +19,065.66
TOTAL +898.09
Similar calculations were conducted multiple times in order to test the dependence of profit
on reactor temperature and feed ratio. It was found analytically that regardless of pressure or
feed ratio, any temperature below approximately 623K gave an unacceptably low conversion
of propylene to valuable products. For instance, at 473K and 20 bar the conversion was
virtually zero on the first iteration, while at 573K and 40 bar the corresponding conversion
was approximately 25%. Hence it was decided that reactor conditions of 653K and 50 bar
were optimal in order to achieve a sufficient conversion for the process to be profitable.
At these conditions the reactor feed ratio of benzene to propylene was varied to determine the
optimal feed ratio at which maximum profit could be obtained. Results are summarized in
Table 31. Profit was graphed against feed ratio (Figure 14), and a 4th order polynomial model
was fitted to data in order to determine the point at which maximum profit was obtained. The
optimum feed ratio was found by this method to be 3.22:1, which yielded a profit of
US$958.65 per hour, with a conversion of 99.09% and selectivity of 256.201.
58
Table 31. Summary of selectivity, conversion and profit for varying feed ratio
940
930
920
910
900
890
0 0.5 1 1.5 2 2.5 3 3.5 4 4.5
Reactor feed ratio (mol benzene/mol propylene)
(1) is altered such that the cumene product purity is 99.9 mol%.
(3) is altered such that the cumene to DIPB selectivity is 256.201:1
(4) is altered such that the conversion of propylene is 99.09%; and
(7) is altered such that the benzene to propylene feed ratio is 3.22:1
59
III. Manual Energy Calculations
Lines 13, 14, 15 and 16 are leaving their columns at their respective bubble point
temperatures. Lines 13, 14 and 15 are each comprised of two components, arbitrarily defined
as A and B, and in each of these cases the component partial pressures Pi are defined using
Raoult‟s law:
As the mixture at the bubble point is entirely liquid (with theoretical trace amounts of vapour
in equilibrium), the mole fractions xA and xB are equal to the actual mole fractions of the
stream. Expressing in terms of molar flow rates (which are known):
For each line Excel Solver is used to find the line temperature required to set f(T) to zero,
using 298K as an initial value. Final values for the temperature are:
Line 16 is comprised entirely of DIPB, hence the temperature is simply the boiling point of
DIPB at 1 bar:
Since lines 13 through 16 are all entirely in the liquid phase and at 1 bar, the following
theoretical path is drawn in order to determine the molar enthalpies of each component
relative to the liquid phase at 298K and 1 bar:
60
(liquid, 298K, 1 bar) → (liquid, T, 1 bar)
(Note that in the spreadsheet only components present in the stream are considered; all other
enthalpies are put equal to zero.)
In this equation, the enthalpy of line 1 is zero (as it is completely liquid at 298K and 1 bar)
and the enthalpy of line 13 is known (already calculated).
Assuming that line 2 is entirely in the liquid phase, a requirement for the pump to operate, the
following theoretical path is drawn:
61
The pump duty is given by (continuing with the assumption of entirely liquid phase and
hence approximately constant density, and neglecting head losses and changes in height):
Where the density of the mixture may be estimated as a mass-weighted average of the
individual densities of the two components:
Excel Solver is used to find the temperature required to set f(T2) to zero, using 298K as an
initial value. Convergence is achieved and the following values are obtained:
(Note: The temperature is below the boiling points of benzene and cumene at 25 bar,
satisfying the requirement of liquid phase.)
62
V-100 energy balance
As line 3 is completely liquid and at 298K, the following theoretical path is drawn:
Evaluating:
Line 3: ΔH = 0.172769kW
Assuming that line 4 is entirely in the liquid phase, the following theoretical path is drawn:
Excel Solver is used to find the temperature required to set f(T4) to zero, using 298K as an
initial value. Convergence is achieved and the following values are obtained:
(Note: The temperature is below the boiling points of all components at 25 bar, satisfying the
assumption of liquid phase.)
63
C-100 energy balance
It is assumed that T6 is above the boiling points of all components at 25 bar, and hence all
components are in the vapour phase at the compressor inlet, a requirement for the gas
compressor to operate.
The enthalpies of lines 6 and 7 are both evaluated by drawing theoretical paths:
Line 6:
(liquid, 298K, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T6, 1 bar) →
(vapour, T6, P6)
Line 7:
(liquid, 298K, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T7, 1 bar) →
(vapour, T7, P7)
Line 7: ΔH = 9665.881kW
Under the assumption of ideal gas behaviour, the difference between specific heats is equal to
R, and hence:
Hence:
64
Where the specific heat may be estimated as a mole-weighted average of the individual mean
specific heats of the components:
Excel Solver is used to find the temperature required to set f(T6) to zero, using 613.8K as an
initial value (just above the boiling point of cumene at 25 bar). Convergence is achieved and
the following values are obtained:
(Note: The temperature is above the boiling points of all components at 25 bar, satisfying the
requirement of vapour phase.)
65
R-100 energy balance
The extent of reaction 1 is equal to the amount of benzene consumed in the reactor (as
benzene is inert in reaction 2), i.e.
The extent of reaction 2 ξ2 is equal to the amount of DIPB produced in the reactor (as DIPB is
inert in reaction 1), i.e.
As all components bar DIPB are all above their critical temperatures and hence in the vapour
phase, ΔĤf for these components is simply the enthalpy of formation of vapour at the reactor
temperature 653K. However, DIPB is below its critical temperature and above its critical
pressure, and hence is in the liquid phase. As enthalpy of formation data for liquid DIPB is
unavailable, the enthalpy of formation at 653K is achieved by drawing a theoretical path:
(0) →formation (vapour, 653K, P*) → (liquid, 653K, P*) → (liquid, 653K, P8)
Evaluating:
ΔHR = –2820.77kW
As stated, benzene, propylene, propane and cumene are all in the vapour phase, while DIPB is
in the liquid phase. Separate theoretical paths are drawn for each case:
66
Benzene, Propylene, Propane and Cumene
(liquid, 298K, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T8, 1 bar) →
(vapour, T8, P8)
DIPB
Evaluating:
Line 8: ΔH = 9481.323kW
67
HE-100 energy balance
Hence:
In this equation, the enthalpies of lines 4 and 8 are known (already calculated).
From (12):
Evaluating:
Line 5: T = 546.0K
This is above the boiling points of benzene, propylene and propane at 25 bar but below that
for cumene. Hence the former are in the vapour phase while the latter is in the liquid phase.
Separate theoretical paths are drawn for each case:
(liquid, 298K, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T5, 1 bar) →
(vapour, T5, P5)
Cumene
Evaluating:
Line 5: ΔH = 7607.723kW
68
It is assumed that line 9 is at a temperature above the boiling points of propylene and propane
at 25 bar but below those for benzene and cumene. Hence the former are in the vapour phase
while the latter are in the liquid phase. DIPB is below its critical temperature and above its
critical pressure, and hence is also in the liquid phase. Separate theoretical paths are drawn for
each case.
(liquid, 298K, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T9, 1 bar) →
(vapour, T9, P9)
Excel Solver is used to find the temperature required to set f(T9) to zero, using 342K (just
above the boiling point temperature of propane) as an initial value. Convergence is achieved
and the following values are obtained:
(Note: The temperature satisfies the stated assumptions with respect to the boiling/critical
point temperatures of each component.)
In this equation, the enthalpies of lines 5 and 6 are known (already calculated), and so Qh may
be evaluated directly:
69
CW-100 energy balance
In order for effective phase separation to occur in S-100, the temperature should be above the
boiling points of propylene and propane at 25 bar. In order to fulfil this requirement, a
temperature of 353K is chosen. At this point, propylene and propane are in the vapour phase
while other components are in the liquid phase. Separate theoretical paths are drawn for each
case.
(liquid, 298K, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T10, 1 bar) →
(vapour, T10, P10)
Evaluating:
70
S-100 energy balance
In this equation, the enthalpy of line 10 is known (already calculated). z is the fraction of
benzene in the liquid phase in line 12 (see later calculations).
Given the assumption of ideal gas behaviour, there is no change to the temperature of the
exiting fuel gas or the molar enthalpies of propylene and propane. Hence:
At this point, cumene and DIPB are both entirely in the liquid phase whilst benzene is
partially in the vapour phase and partially in the liquid phase. Separate theoretical paths are
drawn for each case.
Benzene
(liquid, 298K, 1 bar) → (liquid, T12, 1 bar) →partial (vapour, T12, 1 bar)
Excel Solver is used to find the temperature required to set f(z) to zero, using z = 0 (fully
liquid) as an initial value. Convergence is achieved and the following values are obtained:
(Note: Since 0 < z < 1, the assumption of the system temperature is satisfied given vapour-
liquid equilibria are neglected.)
71
T-100 energy balance
In this equation, the enthalpies of lines 12, 13 and 14 are known (already calculated). Qc is the
duty of condenser CW-101 and Qh is the duty of reboiler HE-102.
Using (13):
Hence:
Line 13 is comprised of benzene and cumene. The following theoretical path is drawn in order
to determine the molar enthalpies of vaporisation of each component:
(liquid, T13, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T13, 1 bar)
Evaluating:
72
T-101 energy balance
In this equation, the enthalpies of lines 14, 15 and 16 are known (already calculated). Qc is the
duty of condenser CW-102 and Qh is the duty of reboiler HE-103.
Using (14):
Hence:
Line 15 is comprised of cumene and DIPB. The following theoretical path is drawn in order
to determine the molar enthalpies of vaporisation of each component:
(liquid, T15, 1 bar) → (liquid, Tb, 1 bar) → (vapour, Tb, 1 bar) → (vapour, T15, 1 bar)
Evaluating:
73
IV. Distillation column
Figure 15. Mc-Cabe Thiele Diagram for the Minimum Number of Stages (Distillation Column 2)
74
Figure 16. Mc-Cabe Thiele Diagram for the Minimum Number of Stages (Distillation Column 1)
75
Figure 17. Mc-Cabe Thiele Diagram for Minimum Reflux Ratio (Distillation Column 2)
76
Figure 18. Mc-Cabe Thiele Diagram for Minimum Reflux Ratio (Distillation Column 1)
77
V. POLYMATH
# Differential equations
d(Fb)/d(W)=(-k1*Fpe*Fb)/((v^2)*((Fb+Fpe+Fpa+Fc+Fd)^2)) #
Change in benzene flow rate with respect to catalyst mass
d(Fpe)/d(W)=((-k1*Fpe*Fb)-(k2*Fpe*Fc))/((v^2)*((Fb+Fpe+Fpa+Fc+Fd)^2)) #
Change in propylene flow rate with respect to catalyst mass
d(Fpa)/d(W)=0 #
Change in propane flow rate with respect to catalyst mass
d(Fc)/d(W)=((k1*Fpe*Fb)-(k2*Fpe*Fc))/((v^2)*((Fb+Fpe+Fpa+Fc+Fd)^2)) #
Change in cumene flow rate with respect to catalyst mass
d(Fd)/d(W)=(k2*Fpe*Fc)/((v^2)*((Fb+Fpe+Fpa+Fc+Fd)^2)) #
Change in DIPB flow rate with respect to catalyst mass
78
# Initial conditions
W(f)=5.2E+06
79
VI. Manual Economic Calculations
Sample Calculations
The fixed capital cost is the cost of the cumene plant installed, up and running. The equipment
cost was determined from an online chemical plant equipment cost estimator, based on
Timmerhaus and West (2003).
The estimator required specific information on the equipment for the costing. The equipment
information that was required by the cost estimator is summarized below. The pumps not used
in HySYS were assumed to be at 1bar.
Gas Compressor
Cooler 100
Furnace
Duty – 1328.33 KW
HEX-100
Duty – 1614.25 KW
HEX-101
Duty – 1614.25 KW
80
Pump 100
∆P – 1 KPa
Pump 101
∆P – 1 KPa
Pump 102
∆P – 1 KPa
Pump 103
∆P – 1 KPa
Pump 105
∆P – 1 KPa
Pump 107
∆P – 1 KPa
Reactor R-100
Volume – 6.5 m3
∆P – 5000 KPa
Duty – 2690.83 KW
Diameter – 1.5m
Number of Stages – 10
81
Distillation column T-101
Diameter – 1.5m
Number of Stages – 10
Valve V1-12
Diameter - 0.05m
Price Index
The online estimator was based on cost data relevant to 2003. These pries had to be adjusted
for inflation. The US Inflation calculator was used to obtain the prices relevant to 2011.
Figure 19 below demonstrates the user interface for the inflation calculator (US Inflation
Calculator 2009).
The reference year of the equipment was entered in the (if in) tab, the current year was
entered in the (then in) tab, and the price of the equipment was entered in the ($) tab. The
current price and the rate of inflation were then returned as seen in the figure above. Table 32
summarizes the equipment cost.
82
Table 32. Summary of Equipment Cost
Name Number Size Reference Year Reference Cost (USD) Current Costs (USD) Installation cost included (USD)
83
Subsidiary Costs
Subsidiary costs are costs that relate to construction costs other than the equipment purchase
and installation cost. These costs included:
1. Control
2. Piping
3. Electrical installation
4. Buildings
5. Yard Improvements
6. Land
7. Constructors expenses
8. Contractors Fee
9. Contingency
10. Start-up expense
The subsidiary costs were obtained as a factor of the equipment costs. The costs from
numbers 7-10, were a factor of the total capital cost; that is, the sum of the equipment cost and
costs from numbers 1-6. The cost factors have been summarized in Table 33.
Table 33. Subsidiary costs as factors of capital cost
Sample Calculation
84
b. Operating Costs
Operating costs are the costs incurred in day to day operation. Also known as the
manufacturing costs, these include:
1. Material costs
2. Employee costs
3. Maintenance
4. Utilities
c. Material costs
The feeds used for this process are Benzene and Propylene. Based on the Douglas approach,
the cost per ton of the materials is summarized in Table 34.
Table 34. Cost of material based on Douglas Approach
The process simulation constructed in HySYS returned the amount of feeds required to
produce 100000 tonnes of cumene per annum, as seen in Table 35.
Table 35. Cost of material based on HySYS simulation
Material Tonnes/year
Benzene 65490.47
Propylene 37524.94
The total cost for the feeds could then be obtained, as shown in Table 36.
Table 36. Total cost of feeds
Material $/year
Benzene 85661532
Propylene 59570834
Sample calculation
85
d. Employee costs
Labours costs are the costs incurred for staff hired to run and maintain the operation. The
costs estimation was performed according to the skilled employment demand and supply in
Thailand.
Operating Labour
The number of operating labour hours can be seen in Figure 20, which was obtained from
Timmerhaus (1991). The operating hours is presented as a function of plant capacity, where
the capacity for the cumene process is 303.03 tonnes/day. B is used as the operating
condition.
However due to new technology such as computerized control systems, the labour
requirements for a fluid processing plant would be 1/3 to 2 employee-hours per ton. It was
assumed that the process controller earns the same as an engineer in Thailand.
86
From world salaries.org (2008), the average salary of an engineer is B32,655 for a 30 day 24
hr plant operation, approximately B45.33/hr. The operating labour per year will be equivalent
to:
= 0.15 * B1.52X106
Total
=B1.75X106/operating year
=USD52440
*These salaries exclude sending Australians as supervisory roles, engineers and operators.
e. Maintenance Costs
The maintenance cost was obtained as a factor of the equipment cost. This factor was 0.02.
Thus maintenance cost = 0.02 x 3340791.56 = $ 66815.83
f. Utilities
The utilities used in the cumene process are steam, electricity, cooling water and fuel gas. The
quantity required was obtained from the HySYS simulation, and the costs obtained from
(2006). Tables 37-41 summarize the utility costs.
87
Table 37. Cost of steam for equipments
STEAM
m.p.s.
Component Duty (kJ/h) Flowrate (kg/h) Flowrate (tonne/h) Flowrate (tonne/yr) baht (p.a.) USD (p.a.)
Reboiler_100 3.800E+07 13629.412 13.629 107944.943 38644289.563 $ 1,275,261.56
h.p.s.
Component Duty (kJ/h) Flowrate (kg/h) Flowrate (tonne/h) Flowrate (tonne/yr) baht (p.a.) USD (p.a.)
Reboiler_101 1.192E+07 4243.388 4.243 33607.635 12031533.216 $ 397,040.60
TOTAL $ 1,672,302.15
Table 38. Cost of electricity for equipments
ELECTRICITY
Component Duty (kJ/h) Duty (kW) Power (kW-h p.a.) baht (p.a.) USD (p.a)
Pump_100 1.161E+05 32.250 255420.000 762939.540 $ 25,177.00
Comp_100 1.937E+06 538.056 4261400.000 12728801.800 $ 420,050.46
TOTAL $ 445,227.46
88
Table 39. Cost of cooling water for equipments
COOLING WATER
Component Duty (kJ/h) Flowrate (tonne/h) Flowrate (tonne/yr) baht (p.a.) USD (p.a.)
Cond_100 3.800E+07 38.109 301826.241 4771872.875 $ 157,471.80
Cond_101 1.195E+07 11.984 94916.410 1500628.444 $ 49,520.74
Cool_Jacket 1.127E+07 11.302 89515.309 1415237.034 $ 46,702.82
$ 253,695.37
Component Flowrate (kg/h) Flowrate (tonne/h) Flowrate (tonne/yr) baht (p.a.) USD (p.a.)
CW_100 71410 71.410 565567.200 8941617.432 $ 295,073.38
TOTAL $ 548,768.74
FUEL GAS
Component Duty (kJ/h) Flowrate (tonne/h) Flowrate (tonne/yr) USD (p.a.)
Furnace_100 1.604E+07 0.346 2740.756 $ 1,656,787.21
89
g. Revenue
The revenue is the annual income from the sale of cumene and fuel gas. The determined sale
prices are competitive with the market prices for cumene and fuel gas.
Table 42 summarizes the sale price for cumene and the fuel gas.
Table 42. Summary of Sale
Material Cost(USD)/tonne
Cumene 1510
Fuel Gas 604.5
The amount of cumene and fuel gas produced annually was obtained from the HySYS
simulations, and is presented in Table 43.
Table 43. Amount of material produced per year from HySYS simulation
Material Tonne/year
Cumene 100029.6
Fuel Gas 7828.2
The annual revenue from the cumene and fuel gas could then be determined, as shown Table
44.
Table 44. Annual Revenue from sale
Material Revenue
(USD/year)
Cumene 151044696
Fuel Gas 4732120.8
Total 155776817
Sample Calculation
90
h. NPV Analysis
A NPV analysis was performed to determine the financial feasibility of the cumene plant. The
analysis returns the sum of the cash flows for the period of operation, discounted to present
values. The discount rate for the project was selected to be 9%, equivalent to the hurdle rate.
For the project to be considered economically feasible, a return of greater than 9% is required.
Tables 45 and 46 demonstrate the parameters used for the NPV analysis. Each of the
parameters will be explained further.
91
Table 45. Parameters used for NPV (impure feed)
Year Capital Investment Depreciation rate Depreciation WDV Cash In Cash out Operating Costs Taxable Cash Flow Tax Payable After Tax Cash Flow
0 0 0 0 0 0 0 0 0 0 0
1 3353636.94 0 0 0 0 3353636.94 0 0 0 -3353636.94
2 0.2 668158.312 2672633.248 155776816.8 149674937.7 149674937.7 5433720.779 1901802.273 4200076.819
3 0.32 1069053.299 1603579.949 155776816.8 149674937.7 149674937.7 5032825.792 1761489.027 4340390.064
4 0.192 641431.9795 962147.9693 155776816.8 149674937.7 149674937.7 5460447.112 1911156.489 4190722.602
5 0.1152 384859.1877 577288.7816 155776816.8 149674937.7 149678577.7 5713379.904 1999682.966 4102196.125
6 0.1152 384859.1877 192429.5939 155776816.8 149674937.7 149674937.7 5717019.904 2000956.966 4100922.125
7 0.0576 192429.5939 0 155776816.8 149674937.7 149674937.7 5909449.497 2068307.324 4033571.767
8 0 0.00 0 155776816.8 149674937.7 149674937.7 6101879.091 2135657.682 3966221.409
9 0 0.00 0 155776816.8 149674937.7 149678577.7 6098239.091 2134383.682 3967495.409
10 0 0.00 0 155776816.8 149674937.7 149674937.7 6101879.091 2135657.682 3966221.409
11 0 0.00 0 155776816.8 149674937.7 149674937.7 6101879.091 2135657.682 3966221.409
12 0 0.00 0 155776816.8 149674937.7 149674937.7 6101879.091 2135657.682 3966221.409
Year Capital Investment Depreciation rate Depreciation WDV Cash In Cash out Operating Costs Taxable Cash Flow Tax Payable After Tax Cash Flow
0 0 0 0 0 0 0 0 0 0 0
1 3353636.94 0 0 0 0 3353636.94 0 0 0 -3353636.94
2 0.2 668158.312 2672633.248 151166450.6 152020287.3 152020287.3 -1521995.065 -532698.2727 -321138.4801
3 0.32 1069053.299 1603579.949 151166450.6 152020287.3 152020287.3 -1922890.052 -673011.5182 -180825.2346
4 0.192 641431.9795 962147.9693 151166450.6 152020287.3 152020287.3 -1495268.732 -523344.0563 -330492.6964
5 0.1152 384859.1877 577288.7816 151166450.6 152020287.3 152023927.3 -1242335.94 -434817.5792 -419019.1736
6 0.1152 384859.1877 192429.5939 151166450.6 152020287.3 152020287.3 -1238695.94 -433543.5792 -420293.1736
7 0.0576 192429.5939 0 151166450.6 152020287.3 152020287.3 -1046266.347 -366193.2213 -487643.5314
8 0 0.00 0 151166450.6 152020287.3 152020287.3 -853836.7527 -298842.8635 -554993.8893
9 0 0.00 0 151166450.6 152020287.3 152023927.3 -857476.7527 -300116.8635 -553719.8893
10 0 0.00 0 151166450.6 152020287.3 152020287.3 -853836.7527 -298842.8635 -554993.8893
11 0 0.00 0 151166450.6 152020287.3 152020287.3 -853836.7527 -298842.8635 -554993.8893
12 0 0.00 0 151166450.6 152020287.3 152020287.3 -853836.7527 -298842.8635 -554993.8893
92
Figure 21 demonstrates the cumulative after tax and discounted cash flows over the duration of the plant life (impure propylene).
300
Millions
y = 2E+07x - 3E+07
250
200
Dollar value
150
Cumulative cash flow
0
0 2 4 6 8 10 12 14
-50
Year
Figure 21. Cumulative After tax and discounted cash flow (Impure Propylene feed)
93
Figure 22 demonstrates the cumulative after tax and discounted cash flows over the duration of the plant life (pure propylene feed).
0
Millions
0 2 4 6 8 10 12 14
-1
-2
-3
Dollar value
-4
Cumulative cash flow
-6
-7
-8
-9
Year
Figure 22. Cumulative After tax and discounted cash flow (Pure Propylene feed)
94
NPV table calculations
To demonstrate the calculations performed in the NPV table, year 2 is chosen as the basis for
the calculations.
The project outline states that the plant requires two years for construction and start up; thus
implying that the equipment starts to depreciate from year 2. Using the MACRS model for
depreciation, the equipment falls under the 6 year depreciating value category. The
depreciation for the first year (year 2), of plant operation is, 0.2. The initial capital cost was $
335363.94. The depreciation then is,
The written down value, WDV, after the fiscal period, is Capital – Depreciation,
The cash in is the annual revenue made from the sale of cumene and fuel gas. The sale prices
for the products are summarized in Table 45. The annual income is $ 155776817.
The cash out for the cumene plant are the operating costs. These costs are summarized in table
Table 46. The annual cash out flow is $149674938. The annual cash flow for years, 5 and 9 is
$149678578. This is due to the fact that, during these years the catalyst is regenerated in the
reactor. The operating costs in these years therefore, take into account the cost for buying
fresh catalyst; where the cost of the catalyst is $ 3640. It is important to note that the cash out
for year 1, is the capital expenditure. During this fiscal period, the cash out flow is not eligible
for tax redemption.
The taxable cash flow is defined as Cash in – Depreciation – Operating Costs; the taxable
cash flow for the second year is:
5433721
The tax rate is 35%, the tax payable can then be defined as Tax rate x Taxable cash flow;
1901802
The after tax cash in can then be determined as, After tax cash in = Cash in – Tax payable;
95
4200076.82
The discount rate was selected to be 9%, equivalent to the hurdle rate. The discount factors
were obtained from discount rate tables. The discount factor for the second year was 0.84168.
The cash flow could then be brought to present value terms as PV of cash flow = Cash flow in
year x discount factor:
3535120.657
Similar calculations were then performed for the remainder of the years, and the cumulative
discounted cash flows returned the project NPV at the end of the 12th year. The NPV was $
22536473.52
96
i. Sensitivity Analysis
A sensitivity analysis was performed to determine the influence of the various cash flows on
the NPV. The sensitivity analysis was performed for both alternatives; the impure propylene
feed and the pure propylene feed. The cash flows taken into consideration were; Feeds,
Employee costs, Maintenance costs, Utilities, Revenue and Capital Cost. The annuity factor,
7.16073, was determined was determined form tables published by McCarthy 2011. Tables 47
and 48 summarized the results from the sensitivity analysis of the impure and pure propylene
feeds respectively.
Table 47. Sensitivity Analysis (Impure Propylene feed)
97
Sample Calculation
In order to demonstrate the calculations performed for the sensitivity analysis, sample
calculations have been performed for the Feeds cash flow.
145232366
675980346
The sensitivity value could then be shown as a percentage of the NPV. This value shows the
dependence of the NPV on the Feeds cash flow.
-2999.495 %
98
j. Pay-back period
The pay-back period analysis returns the time period required for the project to return the
initial capital amount. This is a very useful tool to determine the financial status of a short
term project. A short pay-back period implies a project with strong finances. The cash flow
plot (Figure 21), was used to determine the pay-back period. The equations associated for the
plot were solved for y =0, or the dollar value = 0; using the goal seek function on excel.
These equations were entered in excel with a reference cell set for, y. Then using the goal
seeks function, y was set for 0, and a value for x, the pay-back period was returned.
99
APPENDIX C: Meeting Minutes
Minutes
Agenda topics
Discussion 1:
Direction of Project. The project is based around the production of cumene and we as a team
are required to come up with a process design for a cumene production plant.
Conclusion 1:
In order to start the planning of the plant, the team has to read up on the cumene production
process to get a clearer understanding of what we have to do. Work delegations will not be
settled on the first meeting. There will be a possibility of splitting up the job to make this
design process more efficient.
Discussion 2:
Rough idea of how the process flow diagram of the plant will turn out to be
Conclusion 2:
Although we have a rough idea of how and what should be included in the diagram of our
plant, more research is needed to substantiate our diagram.
Discussion 3:
The next meeting time and place
Discussion 3:
Scott has volunteered to be the one planning for meetings. The next meeting is plan for
Thursday, 28 July 2011 after Simulation and design tutorial class in one of the cat suites
available.
Second meeting – 28 July 2011, Thursday
Minutes
100
Meeting called by Scott
Type of meeting Discussion and planning
Facilitator -
Note taker Cassandra Cheang
Time Keeper Toby
Attendees James, Scott, Toby, Ling lin, Roy and
Cassandra
Agenda topics
Discussion 1:
What can we take out from our findings and research papers?
Conclusion 1:
The group to read up and write out information if possible.
101
Third Meeting – 1 August 2011, Monday
Minutes
Agenda topics
Discussion 1:
PFD
Conclusion 1:
There are some possible changes in the first draft of PFD that we have come up together as a
group.
However, to get started with the whole project on the whole apart from literature review,
we‟ll use the current PFD at hand as a basis for mass and energy balance.
102
Fourth Meeting – 4 August 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Review of literature review
Conclusion 1:
Pretty good write up, however there is a need to read through it thoroughly and to do the
necessary editing or additional information and references.
Discussion 2:
Draw up timeline of Project
Conclusion 2:
Cassandra and Roy will be doing the timeline of the project. The timeline is important as the
group can use it as a rough gauge to how much we have progress. In addition, there is a need
for the group to set a weekly goal to achieve for the project/report.
Discussion 3:
Checking of overall material balance done by Cassandra.
Conclusion 3:
James will be checking through Cassandra‟s work and type it out using the computer. The
group is to check once James has notify that he has complete and submit into our group‟s
online drop box.
Discussion 4:
Assumptions for mass balance
103
Conclusion 4:
The group has come up with the necessary assumptions needed for our cumene production
plant. Assumptions are attached to the word document for mass balance that James will be
doing. Some examples of our assumptions are:
Propylene feed is 95% pure
Benzene is about 99.9% purity out of tower stream after separation
By using the primary and side reactions, the molar feed ratio of Benzene to propylene
is 2:1
Bottom product of cumene separation column, DIPB is 100mol%
Discussion 5:
Things to research on and think about for the coming week.
Conclusion 5:
1. Research on how to incorporate catalyst into our mass balance calculations for
cumene production
2. Find out the equipment prices for our cumene production plant
3. Find more science papers/engineering papers to back our writings and calculations
(References)s
104
Fifth Meeting – 9 August 2011, Monday.
Minutes
Agenda topics
Discussion 1:
Conclusion 1:
No plausible kinetics for the zeolite catalyst to be used could be found, if no kinetics can be
found by the end of this week (week 3), the given catalytic kinetics in the project brief will
need to be used. Assuming the difference in product purity is negligible and the given
kinetics will be somewhat identical to that of the zeolite catalyst.
Discussion 2:
Time line
Conclusion 2:
To be prepared for the week 6 progress review, the following goals have been set by the end
of each week.
Week 3 – reaction kinetics determined.
Week 4 – Energy balances.
Week 5 – Economics and presentation preparation.
Discussion 3:
105
Toby to consult with Ms. Kay Leverett (Librarian) about Zeolite catalyst kinetics.
Conclusion 3:
Tuesday 9/8 – Ms. Leverett instructed to use on-line resources such as: Kirk-Othmer and
Ullman‟s encyclopedia.
106
Sixth Meeting – 11 August 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Delegation of jobs
Conclusion 1:
The discussions written below elaborates the delegations of jobs for the project.
Discussion 2:
Energy Balances
Conclusion 2:
The group will be moving on in energy balances after some breakthrough during today‟s
project meeting. James and Scott will be the primary group members doing the energy balance
for the project. Ling Lin and Cassandra will help out to their best abilities wherever necessary.
Discussion 3:
PFD
Conclusion 3:
Cassandra will be drawing out the final PFD with Microsoft Visio. Ling Lin and scott will be
the ones checking for any mistakes
Discussion 4:
Written portion of the report
107
Conclusion 4:
Cassandra and Toby will be the main people writing the written part of the report. Ling Lin
and Roy will help out wherever necessary.
Discussion 5:
Economic appraisal
Conclusion 5:
Economic appraisal to be done by Roy when most of the manual calculations, literature
review and HySYS simulation has been completed.
Discussion 6:
HySYS simulation
Conclusion 6:
To be done as a group in the computer suite.
Discussion 7:
Next meeting and what has to be done
Conclusion 7:
James will be coming in the morning on 12 August to continue with the energy balance. The
rest of the group will be coming in the afternoon to meet up and see what have we done.
108
Seventh Meeting – 18 August 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Kinetics calculation
Conclusion 1:
James and Scott have completed the kinetics calculation of the catalyst. Next step is to
continue on the energy balance
Discussion 2:
Citing of references
Conclusion 2:
None to be from Wikipedia.
Discussion 3:
Agenda for following week meeting
Conclusion 3:
To start on the economics part of the project, energy balances and refining of report. In
addition, plans should be made about what we are going to present in week 6 for the meeting
with Dr. Hu Zhang
109
Eight Meeting – 22 August 2011
Discussion 1:
Discussion about PFD alternatives
Conclusion 1
- 4 alternatives for the process were selected. The alternatives were changes to the feed
tank and input stream to feed tank, changes to pre heater for the furnace, addition of a
transalkyl reactor
- Objectives for week 6 meeting.
- Assigning tasks (Objectives for this week)
Thursday ( whole group working on pricing)
Summarize the choices for the PFD choice – Roy/Scott
Develop alternative BFD – Linglin
Develop alternative PFD – Cassandra
Summarize the reasons for our choice of PFD/properties of DIPB – Toby
110
Ninth Meeting – 25 August 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Allocation of economic data jobs
Conclusion 1:
Scott: Pumps, Reactor
Ling Lin: Heat Exchanger and furnace
Toby: Condenser, Separator
Cassandra: Tank, Distillation Column
Discussion 2:
Collation of literature, economic data and other written work
Conclusion 2:
Cassandra will be doing the collation of work for Monday‟s meeting the 29th of August
Discussion 3:
PFD
Conclusion 3:
For alternative 2, the transalkylation feed stream from the bottom stream of distillation
column 2. Top product is cumene.
For alternative 4, the propylene stream from feed pump goes through CW-100 into feed
vessel.
Discussion 4:
111
Next meeting agenda
Conclusion 4:
Get everything ready for review with Dr. Hu Zhang
112
Tenth Meeting – 29 August 2011, Monday
Minutes
Agenda topics
Discussion 1:
Douglas Approach
Conclusion 1:
Cassandra is to write up the Douglas Approach. James will be editing it.
113
Eleventh Meeting – 1 September 2011, Thursday
Discussion 1:
Tank - Propylene at atmosphereic at tank in feed tank.
Discussion 2:
Separator – pressure? Vapour or liquid?
Discussion 3:
DIPB stream – think about what to do with it?
Discussion 4:
Environmental costs/drawbacks verses adding another reactor
Discussion 5:
Think about temperature and pressures of equipment
114
Twelfth Meeting – 5 September 2011, Monday
Minutes
Agenda topics
Discussion 1:
What to present for our presentation
Conclusion 1:
Summary of what we have done so far as a group
Improve our BFD
Need to understand our process well
Be clear of the chemical properties i.e. know the different pressures for the different
unit operations
Discussion 2:
Energy balance, kinetics
Conclusion 2:
Find basic duties of Heat Exchanger
Basic prices
Operating pressures and temperatures of reactor
Discussion 3:
Presentation Slides
Conclusion 3:
Whilst James and Scott continue with the mathematical part of the project, the rest of the
design group will work together for the preparation of the presentation
115
Thirteenth Meeting – 8 September 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Next Friday's group presentation
Conclusion 1:
Roy will be putting up basics slides on Sunday and the group will have delegated slides to
present for Friday's presentation
116
Fourteenth Meeting – 12 September 2011, Monday
Minutes
Agenda topics
Discussion 1:
Reactor size should not be 25m3, rather 6.5m3
Conclusion 1:
Scott will re-calculate and liaise with James as the alterations with pressures etc. Of the final
PFD with the amended reactor size.
Discussion 2:
Presentation roles need to be assigned
Conclusion 2:
As not all members were present, Roy would alter the PowerPoint. Toby created a Time line
for the presentation and the next scheduled meeting on Thursday (15/9) all group members
would decide on each responsibility.
117
Fifteenth Meeting – 15 September 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Format of PowerPoint presentation.
Conclusion 1:
Presentation will run in order of tasks completed.
Discussion 2:
Each group member was assigned a topic for the presentation.
Conclusion 2:
Roy – Intro, Lit Review
LingLin – BFD
Scott – Douglas Approach
Cassandra – PFD
James – Calculations
Toby – Economics
118
Sixteenth Meeting – 16 September 2011, Friday
Minutes
Agenda topics
Discussion 1:
Finalising PowerPoint presentation
Conclusion 1:
Ready to present
Discussion 2:
Next weeks duties.
Conclusion 2:
Scott and James – HySYS and Energy balances
Roy, Cass and LingLin – Start economic analysis
Toby – Reference List
119
Seventeenth Meeting – 26th October 2011, Monday
Minutes
Agenda topics
Discussion 1:
Energy Balance
Conclusion 1:
James and Scott to continue working on energy balances. Once done, mvoe on to work on
HySYS as a group.
Discussion 2:
PFD
Conclusion 2:
There might be some amendments that have to be made to the PFD. Cassandra will
understand the process and change where ever necessary. These changes will be discussed
between James, Scott and Cassandra.
Discussion 3:
Economic Appraisal
Conclusion 3:
The economic appraisal cannot be started as there is not enough information for some of the
calculations.
120
Eighteenth Meeting – 4th October 2011, Tuesday
Minutes
Agenda topics
Discussion 1:
PFD
Conclusion 1:
Changes were made to the PFD after all the energy balances and HySYS simulation was
completed. Cassandra made the necessary changes. James oversaw the changes made
Discussion 2:
Economic Appraisal
Conclusion 2:
Roy can start on the economic appraisal by doing all the necessary calculations needed for
the write up. Toby, Ling lin and Cassandra will assist Roy in this task.
Discussion 3:
Plant Location and Layout
Conclusion 3:
Cassandra will research and write out the sections for plant location and layout with
reasonable explanations to choice.
Discussion 4:
Fuel Gas
Conclusion 4:
121
Ling Lin and Cass will research on how to utilise the fuel gas.
122
Nineteenth Meeting – 10th October 2011, Monday
Minutes
Agenda topics
Discussion 1:
Steam and Utility Cost
Conclusion 1:
Toby and James will research on the steam and utility cost for the economic analysis
calculations
Discussion 2:
Fuel Gas
Conclusion 2:
The group has decided to utilise the fuel gas that is separated from the main mixture of feed.
The fuel gas consists of propane and propylene which can effectively heat up some processes
of the plant. However, there is still a need to purchase fuel gas for the initial start up and
running of plant. There is insufficient amount of fuel gas to burn to the temperature of some
processes.
123
Twentieth Meeting – 13th October 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Cost of Catalyst
Conclusion 1:
Linglin will search for a catalyst price.
Discussion 2:
Operating Labour
Conclusion 2:
Cassandra will calculate the cost of operating labour
Discussion 3:
Report table of contents
Conclusion 3:
Toby will type out the table of contents and the necessary headings for the design report
124
21st Meeting – 17 October 2011, Monday
Minutes
Agenda topics
Discussion 1:
Compilation of individual written parts
Conclusion 1:
Toby and Cassandra – go through the table of contents, compare what is written in the project
design description and marking scheme assessment
Toby – Type out table of contents and put it in dropbox
Cassandra – Make a separate folder of folders. These folders will be named according to the
main sections of the group‟s design report
Discussion 2:
Economic Sensitivity, Immunity Factor
Conclusion 2:
Roy to continue working on the Economic Appraisal. To update Scott of the sensitivity and
immunity factor issue on Thursday, 20th October 2011
Discussion 3:
Catalyst Cost
Conclusion 3:
Linglin has found a sample catalyst cost but in powder form. The group has discussed and
concluded that a sample catalyst cost in pellet form will be more accurate. This is because
pellets can be regenerated easier. There are also many disadvantages in “using” powder form
as a gauge for the pricing. There is risk of the powder contaminating the upstream after the
reactor and this will in turn contaminate the whole process. The group has agreed to use the
cost of catalyst in powder form if there is no way to obtain the cost of catalyst in pellet form.
125
Discussion 4:
Design Report draft
Conclusion 4:
Design Report draft #1 should be done by Thursday meeting on the 20th of October for round
one of editing.
126
22nd Meeting – 20 October 2011, Thursday
Minutes
Agenda topics
Discussion 1:
Material and Energy Balance write up
Conclusion 1:
James to finish the write ups for the report by the weekend.
Discussion 2:
Economic Appraisal and sample calculations
Conclusion 2:
Roy will finish the write up and sample calculations by the weekend.
Discussion 3:
Complilation of Report
Conclusion 3:
Cassandra and Toby will continue to compile and format the report.
Discussion 4:
Fuel Gas write up
Conclusion 4:
127
Linglin will write a small section on the usage of fuel gas
Discussion 5:
Next meeting on Monday, everything should be compiled for the group to go through once
together and to edit if necessary
Conclusion 5:
Meeting will be 10am, Innova.
128
23rd Meeting – 24 October 2011, Monday
Minutes
Agenda topics
Discussion 1:
Formatting
Conclusion 1:
Cassandra will do the formatting
Discussion 2:
Proof-reading
Conclusion 2:
Scott and Roy will be proof reading the report
Discussion 3:
Project Summary
Conclusion 3:
Toby will write up the project summary
129
APPENDIX D: Attachments
130