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Energy Balances and Numerical Methods Design Project Production of Maleic Anhydride
Energy Balances and Numerical Methods Design Project Production of Maleic Anhydride
Design Project
The purpose of this project is to continue a preliminary analysis to determine the feasibility
of constructing a chemical plant to manufacture 40,000 tonne/y maleic anhydride.
A suggested process flow diagram (PFD) is attached. You should use this as a starting point
only. Your primary task is to recommend operating conditions for the reactor that maximize the
equivalent annual operating cost, or EAOC (This term is defined below). Process improvements
that increase the EAOC are also required. Any change that you can justify, and that does not
violate the laws of nature, is allowed. Your assignment is to develop a “best” case, where “best”
is dependent upon economic considerations, i.e., EAOC. In reporting your best case, clearly
indicate the modified process and state not only the operating conditions for the (modified)
process but also the corresponding values for the single-pass conversion of benzene, the overall
conversion of benzene, and EAOC. Also, state any recommendations you have for additional
process improvements that you were not able to incorporate into the process calculations.
Chemical Reaction
The raw material is benzene. The primary reaction is one in which benzene is partially
oxidized to form maleic anhydride (Equation 1). There are two undesired side reactions, the
subsequent combustion of maleic anhydride (Equation 2) and the complete combustion of
benzene (Equation 3).
Process Description
Dibutyl Phthalate 13
H-501
2 4 5 E-503
T-501 cw
Air 6
C-501 14
air ng Maleic
Anhydride
T-502
R-501 12
poc
cw
8
7 H-502
cw E-502
air ng
2
3
Process Details
Stream 1: Benzene – stored as a liquid at the desired pressure of the reaction. The cost
of benzene is $4.73/L (liquid).
Stream 2: Air or “pure” oxygen – present at 200% excess based on maleic anhydride
formation reaction (note: 100% excess is double the stoichiometric amount).
Consider air to have zero cost and to have 79 mol % N2, 21 mol % O2. The
cost for “pure” oxygen is $0.20/100 std ft3 (60°F, 1 atm). Oxygen is available
at 60°F and 1 atm.
Stream 9: Dibutyl phthalate solvent – make-up stream for amount lost in Streams 11 and
14. The cost is $1.72/kg.
Stream 11: Waste gas – contains unreacted benzene and O2, N2, CO2, and H2O, plus some
dibutyl phthalate – sent to treatment process, the cost of which may be
considered negligible.
Stream 14: Maleic anhydride product. Specifications for this stream are given below.
The product is to be sold at $1.08/kg of maleic anhydride in the stream.
Equipment
Compressor (C-501)
The compressor increases the pressure of the feed air or oxygen to the reactor pressure.
The compressor may be assumed to be adiabatic. In that case, the compressor work, Ws,
may be calculated as
where Ws is in [kJ/kmol] and the inlet and outlet temperatures, Tin and Tout, respectively
are in [K]. The outlet and inlet temperatures are related through:
0.286
P
Tout = Tin out (5)
Pin
This heat exchanger vaporizes the benzene feed to 10°C of superheat at the stream
pressure. The cost of the heat source is a utility cost.
This heats reactor feed vapor to reaction temperature. Natural gas is used as the fuel, and
the amount needed is based on the LHV of natural gas. The cost of natural gas is a utility
cost.
Reactor (R-501)
This is where the reactions in Equations 1-3 occur. Details of the reactor are presented
below. There are two possible reactor configurations. The one illustrated in Figure 1
shows heat removal to maintain a constant temperature. In this case, the cost of the
medium to remove heat (cooling water, cw, in Figure 1) is a utility cost. The alternative
reactor configuration is an adiabatic reactor, in which there is no heat removal. The heat
generated by the reaction raises the temperature of the exit stream. The temperature
constraints described below must be obeyed.
Absorber (T-501)
The absorber runs at 1.5 atm and 100°C (outlet streams and Stream 8). In the absorber,
99% of the maleic anhydride in Stream 8 is absorbed into the solvent dibutyl phthalate.
For accounting purposes, all maleic anhydride in the recycle stream (Stream 13) may be
assumed to go to Stream 12. You should assume that 0.001% of the dibutyl phthalate in
Stream 10 is lost into Stream 11. This plus the dibutyl phthalate in Stream 14 is the
amount of dibutyl phthalate needed in Stream 9. The cost of Stream 9 is a raw material
cost.
This column runs at 1 atm. (The pressure is controlled by a valve in the product stream
from R-501.) Separation of maleic anhydride and dibutyl phthalate occurs in this
column. Of the maleic anhydride in Stream 12, 99% enters Stream 14. Similarly, 99% of
dibutyl phthalate in Stream 12 enters Stream 13.
In this heat exchanger, the contents of the top of T-502 are condensed from saturated
vapor to saturated liquid at the column pressure. It may be assumed that this stream
condenses at the boiling point of maleic anhydride at the column pressure. The flowrate
of the stream from T-502 to E-503 is three times the flowrate of Stream 14. (That is to
say, one-third of the condensate becomes Stream 14, and the remainder is returned to the
column.) There is a cost for the amount of cooling water needed; this is a utility cost.
5
The cooling water leaving E-503 must always be at a lower temperature than that of the
stream being condensed.
In this heat exchanger, you may assume that the stream that has been vaporized and is
being returned to T-502 has the same flowrate as Stream 13. The stream from H-502 is
vaporized from saturated liquid to saturated vapor at the boiling point of dibutyl phthalate
at the column pressure. Natural gas is used as the fuel, and the amount needed is based
on the LHV of natural gas. The cost of natural gas is a utility cost.
Vessel (V-501)
In this vessel, make-up dibutyl phthalate and recycled dibutyl phthalate streams are
mixed.
Economic Analysis
When evaluating alternative cases, the objective function to be used is the Equivalent Annual
Operating Cost (EAOC), defined as
EAOC = -(product value - feed cost – utility costs – waste treatment cost - capital cost annuity)
A negative value of EAOC means there is a profit. It is desirable to minimize EAOC; i.e., a
large negative value of EAOC is very desirable.
Utility costs are those for steam, cooling water, boiler-feed water, natural gas, and electricity.
The capital cost annuity is an annual cost (like a car payment) associated with the one-time,
fixed capital cost of plant construction and installation. A list of fixed capital costs on an
installed basis (“installed cost”) for all pieces of equipment will be provided by mid-March.
i (1 + i ) n
capital cost annuity = FCI (6)
(1 + i ) n − 1
where FCI is the installed cost of all equipment; i is the interest rate; and n is the plant life, in
[y]. For accounting purposes, take i = 0.15 and n = 10.
Optimization
You will learn optimization methods in ChE 230. The objective function (EAOC) is defined
above. You should consider both topological and parametric optimization.
6
Parametric optimization involves determining the best operating parameters for the chosen
process topology. It is your responsibility to define appropriate decision variables. If there are
too many decision variables to do a reasonable parametric optimization, it is your responsibility
to determine, with appropriate justification, which ones most significantly affect the objective
function. Then you should focus on only those decision variables.
Reactor Information
The reaction conditions are as follows. Limit the temperature to between 450°C and 650°C.
The pressure is 2.5 atm. Table 1 gives conversion (X) and selectivity information for the reactor
for this range of conditions. Here the selectivity of maleic anhydride, S, is defined as follows:
It should be observed that CO2, the undesired product, is also formed in the desired reaction.
Therefore, from Equations (1) – (3), the maximum possible value of S is 0.5.
It is suggested that you regress or curve-fit these data to obtain accurate interpolated values
for the conversion and selectivity.
7
Utility Costs
Electricity $0.06/kWh
Data
Data for benzene, CO2, O2, N2, and H2O are available in your textbook.1 The following data
are provided for the other components.
2 2
C/T E/T
C p = A + B + D , where T is in [K] and Cp is in [J/kmol/K]
sinh(C/T ) cosh( E/T )
Other Information
You should assume that a year equals 8000 hours. This is about 330 days, which allows for
periodic shutdown and maintenance.
You may receive a credit for steam produced in excess of any steam needed. You may burn
the waste gas and receive a credit at its LHV. The cost of steam assumes that it is returned to the
steam generation plant as condensate. The cost of cooling water assumes that it is returned to the
cooling-water plant within the specified temperature range.
Deliverables
Each group must deliver a word-processed report. It should be clear and concise. The
format is explained in a separate document. When presenting results for different cases, graphs
are superior to tables. The body of the report should be short, emphasizing only the results and
briefly summarizing computational strategies. The report appendix should contain details of
calculations that are easy to follow. Calculations that cannot be followed easily will lose credit.
The project is due April 26, 2004, at the beginning of class. There will be oral presentations
of project results on that day. Oral presentation guidelines will be provided in a separate
document.
Anyone not participating in this project will automatically receive an F for ChE 230,
regardless of other grades earned in this class.
Groups
You will work on this project in groups of 4. More details of group formation and peer
evaluation will be discussed in class.
Revisions
As with any open-ended problem; i.e., a problem with no single correct answer, the problem
statement above is deliberately vague. The possibility exists that, as you work on this problem,
your questions will require revisions and/or clarifications. You should be aware that these
revisions/clarifications may be forthcoming.
References
Chemical Reaction
The raw material is benzene. The primary reaction is one in which benzene is partially
oxidized to form maleic anhydride (Equation 1). There are three undesired side reactions, the
subsequent combustion of maleic anhydride (Equation 2), the complete combustion of benzene
(Equation 3), and the formation of the by-product, quinone (Equation 4).
C6 H 6 + 4.5O2 → C 4 H 2 O3 + 2CO2 + 2 H 2 O
(1)
maleic anhydride
C6 H 6 + 1.5O2 → C 6 H 4 O2 + H 2 O
(4)
quinone
Process Description
The PFD for the process is given in Figure 1. Note that this is the same PFD as you were
given last spring. It should be used as a starting point for this assignment. You are to focus on
the feed section, Streams 1-5.
C-501 E-501 H-501 E-502 R-501 V-501 T-501 T-502 E-503 H-502
Air Feed BenzeneFeed Feed Fired Reactor Effluent Maleic Anhydride Dibutyl Phthalate Maleic Anhydride Maleic Anhydride Maleic Tower Maleic Tower
Compressor Vaporizer Heater Cooler Reactor Mixing Vessel Absorber Distillation Column Condenser Reboiler/Fired
Heater
Dibutyl Phthalate 13
H-501
2 4 5 E-503
T-501 cw
Air 6
C-501 14
air ng Maleic
Anhydride
T-502
R-501 12
poc
cw
8
7 H-502
cw E-502
air ng
2
Process Details
Stream 2: Air – present at 200% excess based on maleic anhydride formation reaction.
Consider air to have zero cost and to have 79 mol % N2, 21 mol % O2.
Assume 100% overall conversion of the limiting reactant in determining the
amount of air needed.
Stream 9: Dibutyl phthalate solvent – make-up stream for amount lost in Streams 11 and
14.
Stream 11: Waste gas – contains unreacted benzene and O2, N2, CO2, and H2O, plus some
dibutyl phthalate – sent to treatment process, the cost of which may be
considered negligible.
Equipment
Compressor (C-501)
The compressor increases the pressure of the feed air to approximately 12 atm. The
compressor may be assumed to be adiabatic with an efficiency of 75%. It may be
necessary to use staged compressors with intercooling.
This heat exchanger vaporizes the benzene feed to saturated vapor at the stream pressure,
which you must choose based on the optimization in mini-design #1.
This heats reactor feed vapor to reaction temperature. Natural gas is used as the fuel, and
the amount needed is based on the LHV of natural gas and the process heat load. The
cost of natural gas is a utility cost, and you should assume that the fired heater is 85%
efficient
Reactor (R-501)
In order to complete a material balance for this process, you are to assume that the
following process conditions apply.
88.85 % of benzene of the benzene entering the reactor is converted to maleic anhydride
via reaction 1.
30.00% of the maleic anhydride formed by reaction 1 is combusted via reaction 2.
3.35% of the benzene entering the reactor is combusted via reaction 3.
1.66 % of the benzene entering the reactor forms quinone via reaction 4.
The reactor inlet conditions are set at 460°C and 11 bar and the reactor behaves
isothermally at the inlet temperature.
The waste gas, Stream 11, contains all the nitrogen, water, oxygen, benzene, and carbon
dioxide in Stream 8. In addition, 2% of the maleic anhydride and 70% of the quinine in
Stream 8 leave in Stream 11. Finally, Stream 11 also contains 0.1 % of the dibutyl
phthalate in Stream 13.
The composition of the solvent recycle, Stream 13, is essentially pure dibutyl phthalate.
The mole ratio of Stream 13 to Stream 8 is 0.20.
Stream 11 leaves the process at 84°C and Stream 13 leaves the process at 180°C.
Assignment
The assignment consists of four “mini-designs.”
You are required to find the optimum pipe sizes and make the pressure drop calculations for
the feed section, which includes all piping, pipe fittings, and all heat exchangers between the
feeds and the fired heater inlet. Specifically, you should assume the following:
You should minimize the equivalent annual operating cost, EAOC, for the feed section of the
process with the following in mind:
• The air feed should be taken from the environment (1 atm and 20°C) and compressed.
• Before compression, the air must flow through a drier/filter to remove any residual
moisture and particulates. The drier/filter is standard equipment, and the vendors
recommend that at the design flow a pressure drop of 3 psi be used.
• The air should pass through the shell side of any heat exchanger used to heat or cool
it.
• For any heat exchanger for which a detailed design is not performed (see the Heat
Transfer section), a pressure drop of 3 psi should be used, for the air-side.
• For each piece of equipment in the feed air line (compressors, heat exchangers,
drier/filter), isolation gate valves and a bypass line should be provided to allow for
use in the event of unscheduled maintenance. The sketch below illustrates this
arrangement.
Equipment
Gate valve
(normally closed)
The optimization for this mini-project should include the cost of the compressors, the cost of
pumps, the cost of the intercoolers, the cost of all pipe and fittings, the cost of cooling water,
and the cost of electricity. Raw material costs should not be included, so CAP (the capital
investment for equipment used in the equation for EAOC given below) includes only the
installed cost of pipes, valves, compressor stages, pumps, and heat exchangers, and operating
costs include the electricity to run the compressor stages and the cost of cooling water in the
inter-coolers, if used.
Calculations for the optimum pipe size should be included in an appendix for this mini-
project.
You should also do a pressure analysis of the Streams 1 through 5 to make sure all pressures
balance. Valves, pumps, or compressors must be added as needed.
The objective function for the optimization is the Equivalent Annual Operating Cost (EAOC)
of the piping system including the pump ($/y). The EAOC is defined as:
A
EAOC = CAP , i, n + annual operating costs (5)
P
where
i(1 + i)
n
A
, i, n =
[ ]
(6)
P (1 + i)n − 1
Using your final design (the one that minimizes EAOC), determine the maximum and
minimum flowrates that the feed section can supply the process. For this part of the project,
you may assume that all pump and compressor curves follow the “standard” curves given
below:
7.1265
P V&
= 1.1 − 0.1
&
Pdesign Vdesign
where Pdesign is the pressure rise across the pump at the design volumetric flowrate of V&design ,
and V& is the volumetric flowrate at any pressure rise, P, across the pump.
A detailed sketch of the exchanger should be included along with a set of comprehensive
calculations in an appendix to the mini-project.
The separations section of this process involves dibutyl phthalate, maleic anhydride, maleic
acid, and quinone. It is necessary to understand the vapor-liquid equilibrium between
different pairs of these components. Specifically, you are to investigate the vapor-liquid
equilibrium between maleic anhydride and quinone, maleic anhydride and maleic acid, and
maleic acid and dibutyl phthalate. First of all, check different thermodynamics packages in
Chemcad to see if there are differences between the predictions of the packages. The term
thermodynamics package means the choice of K-value and enthalpy calculation methods. At
a minimum, you should investigate ideal, SRK, Peng-Robinson, UNIQAC, UNIFAC,
UNIFAC/UNIQAC, plus the recommendation of the expert system if it differs from those
listed above. Specifically, examine the T-xy diagrams of the pairs of components using the
same thermodynamics packages at a variety of possible operating pressures (1-10 atm) for
the separation section. The presence of azeotropes strongly affects the ability to do
separations. What do you observe? Compare the predictions of the different packages.
Explain and discuss reasons for any differences observed.
Additionally, there appears to be a discrepancy in the reported physical properties for some
of the components involved in this design. Specifically, the properties in the Chemcad data
base do not match those in other published data bases. Please investigate this problem in
depth and determine which information is correct. If the Chemcad data base is in error,
discuss how the vapor-liquid equilibrium results would be affected.
When designing a chemical process, it is important to know the properties of the chemicals
being consumed and produced in the process. The reactivity and toxicity of the reactants and
products will not only affect the design but will also affect the procedures that might be
implemented during an unscheduled event such as an emergency shutdown. The purpose of
the safety analysis report is to make management aware of risks to personnel due to the
flammability and toxicity of all chemicals consumed or produced in the process. As a
minimum, the MSDS (material and safety data sheets) for all these chemicals should be
provided in an appendix, and a brief discussion of the major concerns for each chemical
should be given as a separate section of the report. In addition, briefly discuss possible safety
hazards for each piece of equipment in your process. Finally, a feature of your process
design that addresses one of these concerns should be explained.
5. Chemcad
A complete Chemcad simulation for the process shown in Figure 1 should be provided for
your optimized case. Use the results from all mini designs, including the recommended
thermodynamics package.
Other Information
You should assume that a year equals 8000 hours. This is about 330 days, which allows for
periodic shutdown and maintenance.
Deliverables
Written Reports
Each group must deliver a report written using a word processor. Three identical copies
should be submitted, one for each instructor. The written project reports are due by 1:00 p.m.
Thursday, December 2, 2004. Late projects will receive a minimum of a one letter grade
deduction.
The report should be clear and concise. For the correct formatting information, refer to the
document entitled Written Design Reports. The report must contain a labeled process flow
diagram (PFD) and a stream table, each in the appropriate format. The PFDs from CHEMCAD
are generally unsuitable unless you modify them significantly. Figure 1 should be used as a
template for your PFD. When presenting results for different cases, graphs are superior to tables.
For the optimal case, the report appendix should contain details of calculations that are easy to
follow. There should be separate appendices for each “mini-project.” These may be hand
written if done neatly. Alternatively, Excel spreadsheets may be included, but these must be well
documented so that the reader can interpret the results. Calculations that cannot be easily
followed and that are not explained will lose credit.
Since this project involves “mini-designs,” it is suggested that the report be organized as
follows. There should be a general abstract and introduction. Then, there should be a results
section followed by a discussion section for each “mini-design.” General conclusion and
recommendation sections should follow. At a minimum, there should be one appendix for each
of the “mini-designs.”
In order to evaluate each group members writing skills, the results and discussion sections for
each mini-design should be written by a different group member. The authorship of each of
these mini-reports should be clearly specified in the report. For groups with four members, the
member not authoring a mini-report should author the safety analysis report, which is described
below. The remainder of the report, namely the general abstract, general introduction, general
results (including Chemcad simulation), general conclusions, and general recommendations
sections should be a group effort.
Although the individual written portions of the reports must be authored by a single group
member, it is the intent of the instructors that group members should help each other in writing
different sections. To this end, we recommend that you seek input, such as proofreading and
critiques, from other members of you group. The reports will be evaluated as follows:
A historical account of what each group did is neither required nor wanted. Results and
explanations should be what are needed to justify your choices, not a litany of everything that
was tried. Each mini-report should be limited to 4-5 double space pages plus figures and tables.
Oral Reports
Each group will give an oral report in which the results of this project will be presented in a
concise manner. The oral report should be between 15-20 minutes, and each group member
must speak. Each group member should speak only once. A 5-10 minute question-and-answer
session will follow, and all members must participate. Refer to the document entitled Oral
Reports for instructions. The oral presentations will be Thursday December 2, 2004, from 11:00
a.m. to 2:00 pm. Attendance is required of all students during their classmates’ presentations
(this means in the room, not in the hall or the computer room). Failure to attend any of the
above-required sessions will result in a decrease of one-letter grade (per occurrence) from
your project grade in ChE 310, ChE 311, and ChE 320.
Groups
You will work on this project in groups of 3 or 4. More details of group formation and peer
evaluation will be discussed in class.
Revisions
As with any open-ended problem; i.e., a problem with no single correct answer, the problem
statement above is deliberately vague. The possibility exists that, as you work on this problem,
your questions will require revisions and/or clarifications. You should be aware that these
revisions/clarifications may be forthcoming.
Appendix 1
Economic Data
Equipment Costs (Purchased)
Note: The numbers following the attribute are the minimum and maximum values for that
attribute. For a piece of equipment with a lower attribute value, use the minimum attribute value
to compute the cost. For a piece of equipment with a larger attribute value, extrapolation is
possible, but inaccurate. To err on the side of caution, you should use the price for multiple,
identical smaller pieces of equipment.
Heat Exchangers log10 (purchased cost ) = 4.6 − 0.8 log10 A + 0.3[log10 A]2
A = heat exchange area (m2, 10, 1000)
Piping straight pipe $/m = 5.0 (nominal pipe diameter, in)(1+(sch #)/20)0.25
sch = schedule number for pipe
use the same sch number for fittings and valves
fittings (except valves) $/fitting = 50.0 (nominal pipe diameter, in)(1+(sch #)/20)0.25
Valves for gate (isolation) valves $100 (nominal pipe diameter, in)0.8 (1+(sch #)/20)0.25
for control valve use $1000 (nominal pipe diameter, in)0.8(1+(sch #)/20)0.25
Equipment Bypasses
Bypasses around equipment should consist of a minimum of 20 ft of pipe, 2 standard elbows, and
1 gate valve. There will also be a tee at each point where the by-pass connects to the main pipe.
Utility Costs
Electricity $0.06/kWh
Refrigeration $7.89/GJ
Total Installed Cost = Purchased Cost (4 + material factor (MF) + pressure factor (PF))
Pressure < 10 atm, PF = 0.0 does not apply to turbines, compressors, vessels,
(absolute) 10 - 20 atm, PF = 0.6 packing, trays, or catalyst, since their cost
20 - 40 atm, PF = 3.0 equations include pressure effects
40 - 50 atm, PR = 5.0
50 - 100 atm, PF = 10
Heat Exchangers
For heat exchangers that are not designed in detail, use the following approximations for
heat-transfer coefficients to allow you to determine the heat transfer area:
situation h (W/m2°C)
flowing gas 60
Separations and Reaction Engineering
Design Project
Problem Statement
We are now prepared for you to complete a final design of a production facility for maleic
acid from benzene. You are to design a facility to produce 40,000 tonne/y of maleic anhydride.
Chemical Reactions
The raw material is benzene. The primary reaction is one in which benzene is partially
oxidized to form maleic anhydride (Equation 1). There are three undesired side reactions, the
subsequent combustion of maleic anhydride (Equation 2), the complete combustion of benzene
(Equation 3), and the formation of the by-product, quinone (Equation 4).
k
C6 H 6 ( g ) + 4.5O2 ( g )
1 → C H O ( g ) + 2CO ( g ) + 2 H O ( g )
4 2 3 2 2 (1)
benzene maleic anhydride
k
C6 H 6 ( g ) + 7.5O2 ( g )
2 → 6CO ( g ) + 3H O ( g )
2 2 (2)
benzene
k
C4 H 2O3 ( g ) + 3O2 ( g )
3 → 4CO ( g ) + H O ( g )
2 2 (3)
maleic anhydride
k
C6 H 6 ( g ) + 1.5O2 ( g )
4 → C H O ( g ) + H O( g )
6 4 2 2 (4)
benzene quinone
where
− ri = kiCbenzene or − r3 = k 3C maleic anhydride (5)
and
k1 = 7.7 × 106 exp( −25,143/ RT ) (6)
The units of reaction rate, ri, are kmol/m3(reactor)s, the activation energy is given in cal/mol
(which is equivalent to kcal/kmol), the units of ki are m3(gas)/m3 (reactor)s, and the units of
concentration are kmol/m3(gas).
The catalyst is a mixture of vanadium and molybdenum oxides on an inert support. Typical
inlet reaction temperatures are in the range of 350-400°C. The maximum temperature that the
catalyst can be exposed to without causing irreversible damage (sintering) is 650°C. The catalyst
diameter is 5 mm, and the void fraction of the bed is 0.5.
Additional Constraints
Hints
In performing your study, you may wish to consider the following suggestions regarding the
optimization.
and recycled back to the absorber. A small amount of fresh solvent is added to account
for losses. It should be noted that to obtain the desired separation in the absorber, a
reboiler and condenser are required. Therefore, the absorber behaves like a distillation
column with one of the feeds on the top tray and the other on the bottom tray. The
overhead product from the dibutyl phthalate recovery column is sent to the maleic acid
column, where 95 mol% maleic acid is removed as the bottom product. The overhead
stream is taken to the quinone column, where 99 mol% quinone is taken as the top
product and 99.9 mol% maleic anhydride is removed as the bottom product. It is this last
column that must be designed in detail.
• In order to limit excessive reboiler and condenser duties on towers, the recycle flowrate
of dibutylphthalate solvent should be limited. In addition, recovery and purification
specifications of this solvent should be carefully evaluated.
• For the by-products (quinone and maleic acid), the option of not purifying them but using
them for fuel credit should be considered. A comparison between the cost of separation
and the loss in revenue from pure by-products should be used to determine the optimum
strategy.
Specific Assignments
ChE 312
You are to determine the number of distillation columns required, their locations, their
sequence, and enough information for each column to determine their costs. The distillation
column that purifies the maleic anhydride should be designed in detail. A detailed design of a
tray tower includes number of trays, tray spacing, diameter, reflux ratio, active area, weir height,
top and bottom pressure specifications, and design of auxiliary equipment (heat exchangers,
pump, reflux drum, if present). A detailed design of a packed tower includes height, packing
size and type, and the same other specifications as in a tray tower. For all columns in this
project, you may assume that HETP = 0.6 m. For the distillation column, the better economical
choice between a packed and tray tower should be determined. For either a packed or a tray
distillation column, the optimum reflux ratio should be determined.
Note that a tower consists of a vessel with internals (trays or packing). The constraints on a
vessel are typically a height-to-diameter ratio less than 20. However, it is possible to extend this
ratio to 30 as long as the tower is less than about 3 ft (1 m) in diameter. For larger-diameter
towers, stresses caused by wind limit the actual height. Extra supports are needed for a height-
to-diameter ratio above 20, even for smaller diameter columns. Therefore, there is a capital cost
“penalty” of an additional 25% (only on the vessel) up to a ratio of 25, and a “penalty” of an
additional 100% up to a ratio of 30.
You must choose the operating pressures for each column subject to constraints of operating
temperature and available utilities. If vacuum columns are needed, pressure drop becomes a
significant concern. As an alternative to tray towers, packed towers with a low-pressure-drop
structured packing may be used. The packing factor as defined in Wankat1, p. 424, is that for
Koch Flexipac #2. Assume the HETP for the structured packing to be 0.6 m (see the definition
4
of HETP in Wankat1, p. 418, and the relationship between HETP and HOG in Equation 19.36 in
Wankat1.), and that the pressure drop is 0.2 kPa/m (0.245 inch water/ft).
ChE 325
Several reactor types may be considered for use in this design. They are an adiabatic, packed
bed reactor (a series of these with interstage cooling, if needed), an “isothermal,” packed bed
reactor, and a packed bed reactor with heat exchange. An “isothermal” reactor is defined here as
one with a specified outlet temperature, not necessarily the inlet temperature, and some form of
heat exchange is needed to add or remove the heat of reaction to maintain constant temperature.
Chemcad will model the entire reactor as “isothermal” at that temperature. It must be understood
that this situation is not physically realistic. In a reactor with heat exchange, the temperature
along the length of the packed-bed reactor is not constant. The temperature can be controlled by
varying the temperature and flowrate of the heat-transfer fluid, heat-transfer area, and the
catalyst/inert ratio. The suggested heat-transfer fluid is molten salt, which is a mixture of 40 wt
% sodium nitrite and 60 wt % sodium nitrate. If a heat-transfer fluid is used, it is circulated in a
closed loop through the reactor where its temperature is increased (if the reaction is endothermic)
or decreased (if the reaction is exothermic). Then, heat is added (removed) from the fluid in a
heat exchanger (or fired heater, if needed). The heat-transfer fluid is then pumped back to the
reactor. Properties of the molten salt mixture can be obtained from Chemcad from a stream with
the appropriate composition.
For your best case, you should include a discussion of the temperature, pressure, and
concentration profiles obtained from Chemcad.
General
The entire maleic anhydride process should be optimized using decision variables of your
choosing. Decision variables should be chosen as the design variables most strongly affecting
the objective function. There are topological optimization and parametric optimization. In
topological optimization, which is usually done first, the best process configuration is chosen.
Parametric optimization involves varying operating variables and should be done after
topological optimization is complete. Some examples of parameters that can be used as decision
variables are reactor temperature, pressure, and conversion; absorber temperature and pressure;
and distillation column reflux ratio.
Economic Analysis
When evaluating alternative cases, the equivalent annual operating cost (EAOC) objective
function should be used. The EAOC is defined as
EAOC = -(product value - feed cost – utility costs – waste treatment cost - capital cost annuity)
A negative EAOC means there is a profit. It is desirable to minimize the EAOC; i.e., a large
negative EAOC is very desirable.
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The capital cost annuity is an annual cost (like a car payment) associated with the one-time,
fixed cost of plant construction.
i (1 + i ) n
capital cost annuity = FCI (10)
(1 + i ) n − 1
where FCI is the installed cost of all equipment; i is the interest rate (take i = 0.15) and n is the
plant life for accounting purposes (take n = 10).
Report Format
This report should conform to the Department guidelines. It should be bound in a folder that
is not oversized relative to the number of pages in the report. Figures and tables should be
included as appropriate. An appendix should be attached that includes sample calculations.
These calculations should be easy to follow.
The written report is a very important part of the assignment. Poorly written and/or
organized written reports may require re-writing. Be sure to follow the format outlined in the
guidelines for written reports. Failure to follow the prescribed format may be grounds for a re-
write.
The following information, at a minimum, must appear in the main body of the final report:
1. a computer-generated PFD (not a Chemcad PFD) for the recommended optimum case,
3. a list of new equipment for the process, costs, plus equipment specifications (presented
with a reasonable number of significant figures),
7. a discussion section pertinent to each class plus a general discussion section for
optimization of the entire process
8. a Chemcad report only for your optimized case (in the Appendix). This must contain the
equipment connectivity, thermodynamics, and overall material balance cover pages;
stream flows; equipment summaries; tower profiles; and tray (packing) design
specifications (if you use Chemcad to design the trays (packing)). It should not contain
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stream properties. Missing Chemcad output will not be requested; credit will be deducted
as if the information is missing.
Other Information
Unless specifically stated in class, the information in this document is valid for this project
only. Any information in the sophomore projects not specifically stated in this document is not
valid for this project.
Deliverables
Each group must deliver a report (two identical copies, one for each professor) written using
a word processor. The report should be clear and concise. The format is explained in the
document Written Design Reports. Any report not containing a labeled PFD and a stream table,
each in the appropriate format, will be considered unacceptable. PFDs from Chemcad are
generally unsuitable unless you modify them significantly. When presenting results for different
cases, graphs are superior to tables. For the optimum case, the report appendix should contain
details of calculations that are easy to follow. There should be separate appendices for each
class, ChE 312 and ChE 325, each containing calculations appropriate for the respective class.
These may be handwritten if done so neatly. Calculations that cannot be easily followed will
lose credit.
Each group will give an oral report in which the results of this project will be presented in a
concise manner. The oral report should be between 15-20 minutes, and each group member
must speak once. Reports exceeding this time limit will be stopped. A 5-10 minute question-
and-answer session will follow. Instructions for presentation of oral reports are provided in a
separate document entitled Oral Reports. The oral presentations will be Wednesday, April 20,
2005, starting at 11:00 a.m. and running until approximately 3:00 p.m. Attendance is required of
all students during their classmates’ presentations (this means in the room, not in the hall or the
computer room). Failure to attend any of the above-required sessions will result in a decrease of
one letter grade (per occurrence) from your project grade in ChE 312 and ChE 325.
The written project report is due by 11:00 a.m. Wednesday, April 20, 2005. Late projects
will receive a minimum deduction of one letter grade.
In order to evaluate each team members writing skills, the results and discussion sections for
each specific assignment should be written by a different team member. The authorship of each
of these specific assignments should be clearly specified in the report. If a team has four
members, the member not authoring a specific assignment should author the cover
memorandum, abstract, introduction, and conclusion.
Revisions
As with any open-ended problem (i.e., a problem with no single correct answer), the problem
statement above is deliberately vague. The possibility exists that, as you work on this problem,
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your questions will require revisions and/or clarifications of the problem statement. You should
be aware that these revisions/clarifications might be forthcoming.
References
1. Wankat, P., Equilibrium Staged Separation Processes, Prentice Hall, Upper Saddle River,
NJ, 1988.
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Appendix 1
Chemcad Hints
In order to simulate the temperature profile in a packed bed reactor, the reactor is simulated
as a co-current, packed bed kinetic reactor, with a molten salt stream as the utility.
Any water absorbed into the dibutyl phthalate will react completely in the absorber with
maleic anhydride to produce maleic acid. Simulation of this reaction should be done by adding a
stoichiometric reactor after the absorber. However, this bogus piece of equipment should not
appear on your process flow diagram
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Appendix 2
Raw Material Costs
Appendix 3
Cost Information
Note: The numbers following the attribute are the minimum and maximum values for that
attribute. For a piece of equipment with a lower attribute value, use the minimum attribute value
to compute the cost. For a piece of equipment with a larger attribute value, extrapolation is
possible, but inaccurate.
Heat Exchangers log10 (purchased cost ) = 4.6 − 0.8 log10 A + 0.3[log10 A]2
A = heat exchange area (m2, 10, 1000)
Catalyst $2.25/kg
It may be assumed that pipes and valves are included in the equipment cost factors. Location
of key valves should be specified on the PFD.
Total Installed Cost = Purchased Cost (4 + material factor (MF) + pressure factor (PF))
Pressure < 10 atm, PF = 0.0 does not apply to turbines, compressors, vessels,
(absolute) 10 - 20 atm, PF = 0.6 packing, trays, or catalyst, since their cost
20 - 40 atm, PF = 3.0 equations include pressure effects
40 - 50 atm, PR = 5.0
50 - 100 atm, PF = 10
Utility Costs
Electricity $0.06/kWh
Refrigeration $7.89/GJ
Any fuel gas purge may be assumed to be burned elsewhere in the plant at a credit of
$2.50/GJ. Steam produced cannot be returned to the steam supply system for the appropriate
credit. Steam produced in excess of that required in this process is purged with no credit.
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Appendix 4
Other Design Data
Heat Exchangers
For heat exchangers, use the following approximations for heat-transfer coefficients to allow
you to determine the heat transfer area:
situation h (W/m2°C)
flowing gas 60