Material Balances Project

Ammonia Production

Background

You work for a consulting company that has been hired to determine the most profitable
operating conditions for an ammonia synthesis loop at your clients facility. You are only to
evaluate the ammonia synthesis portion of a much larger process that takes coal, converts it into
a synthesis gas (carbon monoxide and hydrogen), adds nitrogen and removes the carbon
monoxide, adjusts the composition and produces ammonia. Ammonia is one of the five most
produced chemicals in the industry. It is a raw material for nitrogen oxides and fertilizers,
among others. The process in question is to produce 50,000 tonne/y of ammonia in an 8000-hour
year.

Ammonia Production

Unit 600 produces ammonia from a feed mixture that contains stochiometric amounts of
nitrogen and hydrogen plus inert gas that is nearly all methane. Figure 1 illustrates the main
units in your clients design.

The composition of fresh feed is 24.5% nitrogen, 73.5% hydrogen and 2.0% methane. The
methane is inert and does not react. The feed is compressed, mixed with the recycle stream,
preheated and sent to the reactor. The reaction is equilibrium limited, which means that the
reactor temperature limits the extent of reaction. The reaction and equilibrium constant, in the
range of 700 K 750 K are:

N 2 3H 2 2 NH 3 (1)

2
PNH 12711
K 3
1.054 10 12 exp (2)
1
P P
N2
3
H2 T

where the units of K are atm-2 and T is in Kelvin. The reactor effluent is cooled and separated in
a flash vessel, producing liquid ammonia and light gases. To prevent methane from building up
in the recycle stream, a fraction of the light gases goes to a purge stream, and the remaining light
gases are compressed and recycled.

The ammonia synthesis loop can be operated over the pressure range of 10 to 150 atm,
reactor temperatures of 420C to 480C and purge-to-recycle ratios of 1/10 to 1/100. To simplify
the material balance calculations, you may assume that the recycle stream contains no ammonia
and that the ammonia stream contains no dissolved gases. The range of operating conditions
involve trade-offs. Higher pressures increase the equilibrium conversion but increase the cost of
compressing the reaction gases; lower reactor temperatures increase equilibrium conversion but
increase cost by requiring more cooling to remove heat from the exothermic reaction; smaller
purge-to-recycle ratios loose less reaction gas from the recycle loop but increase cost since more
gas must be compressed for recycle back to the reactor.
2
Problem

You, the engineering team, are to choose the best operating conditions for the ammonia
synthesis process in order to produce 50,000 tonne/y (50,000,000 kg/y). Your goal is to minimize
operating costs and maximize profit. You are constrained by the reactor temperature, reactor
pressure, the purge-to-recycle ratio, and operating costs.

You may not use CAD software, but should use Excel spreadsheet calculations. Before
developing a spreadsheet, you must solve the material balance by hand for at least one case to
demonstrate that the spreadsheet is set-up correctly.

Group Formation

A student design group will consist of 4 group members. You are encouraged to choose a
partner for this project to form a pair. When you have formed a pair, please write your names on
the chart posted on Dr. Kuglers door. Dr. Kugler will combine pairs to form groups of four.
Group assignments will be made on November 5.

Reports

Each group will be expected to prepare a written report recommending the best operating
procedures for the ammonia synthesis process. This report is due at 3:00 PM, Wednesday,
December 3. The report should follow the departments design-report guidelines. Data should be
in the form of graphs and tables, since this both condenses the results and makes them easily
understandable. The appendix should include your spreadsheet and a hand calculation for at least
one representative case. Hand calculations should be made using a pencil.

Report Authors

Although work on a group report can never be divided equally, only those members making
substantial contributions to the final report should be listed as authors.

Short-term Group Assignments

Due Monday, November 10

Solve the material balance for the case where T = 450C; P = 100 atm; Purge-to-recycle ratio
= 1/20. Note that the hydrogen-to-nitrogen ratio = 3.000 in every stream. Use N 3 = 100 kmol/h as
the basis for your calculation.

Due Monday, November 17

Set up an Excel spreadsheet to calculate the material balance where T, P and purge-to-recycle
ratio are entered manually. Scale the spreadsheet to produce 50,000 tonne NH3/year. Run two
cases for 1) T = 450C; P = 100 atm; Purge-to-recycle ratio = 1/20 and 2) T = 420C; P = 50
atm; Purge-to-recycle ratio = 1/10.
 4

Due Wednesday, November 19

Expand Excel spreadsheet to include operating costs so that an annual profit or loss can be
calculated for any set of operating conditions. Run two cases for 1) T = 450C; P = 100 atm;
Purge-to-recycle ratio = 1/20 and 2) T = 420C; P = 50 atm; Purge-to-recycle ratio = 1/10.

Supplemental Information

Value of Feeds and Products

Hydrogen fresh feed $0.72 per pound

Nitrogen fresh feed $0.02 per pound

Methane in feed or purge $0.18 per pound

Hydrogen in purge $0.45 per pound

Ammonia product $0.30 per pound

Variable Operating Costs

Cooling after reactor $0.005 per lb of gas in Stream 4

Compressors $0.004(P) per kg-mol

When calculating P, assume that the fresh feed is supplied at 10 atm, and assume that
Stream 9 before the recycle compressor is at 8 atm.

Fixed Operating Costs

Operating the ethanol production unit involves additional costs such as labor, maintenance
and debt service which should remain nearly constant as operating parameters change. Assume
that these fixed costs are $0.05 per kg of ammonia produced.

Profit (Loss) on Unit

At a selling price of $0.30 per pound, the value of 50-million kg of ammonia is $33.0
million. In estimating profit or loss for various operating conditions, the significant figure for
profit should be $0.1 million.
 5

Energy Balances and Numerical Methods

Design Project

Ammonia Production

Your assignment is to continue to evaluate the feasibility of a process to produce

50,000 tonne/y of ammonia from syngas.

A suggested process flow diagram (PFD) is shown in Figure 1. You should use this as a
starting point. 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 any
modifications to the PFD and state the operating conditions for the modified process and the
corresponding EAOC.

Chemical Reaction

Syngas is available from a pipeline at 1000 kPa and 200C. It is compressed, mixed with a
recycle stream, and heated or cooled to 350C to be fed to the reactor. The reactor operates
adiabatically. The reactor effluent is cooled, the pressure is reduced by a valve, and the stream
partially condensed, producing an ammonia-rich stream. The ammonia liquid product is in
Stream 8. Some of Stream 9 is recycled and some is purged. Depending on the pressure of the
flash separator, V-601, the recycle stream may need to be compressed up the pressure of Stream
2.

The reaction that occurs in the reactor is reversible

N 2 3H 2 2 NH 3 (1)

This is an equilibrium reaction, and the equilibrium constant over a wide range of temperatures is
given by

11,806
K 3.29 10 12 exp (2)
T

In the reactor, 90% of the equilibrium conversion is obtained.

2
Process Details

Streams and Equipment Details

Stream 1: syngas at 200C and 1000 kPa contains 72 mol% H 2, 24 mol% N2, and
4 mol% CH4

Stream 8: ammonia product 50,000 tonne/y a year is 8000 hours

Stream 10: purge used as fuel-gas to furnace may take credit for lower heating value

Streams 9-11: unreacted syngas and ammonia not in the product stream are recycled
the recycle split is a potential decision variable

Equipment Information

Compressor (C-201)

The compressor increases the pressure of the feed stream to the pressure of the reactor. The
compressor may be assumed to be adiabatic. In that case, the compressor power W s (kW)
may be calculated as

P
0.286
(kmol/s) out
W s (kW) 20,000m 1 (3)
Pin

where m (kmol/s) is the total molar flowrate of Stream 1. Equation 3 includes the
compressor efficiency. The cost of electricity to run the compressor is a utility cost. The
compressor increases the temperature of the stream being compressed according to

0.286
Tout Pout
(4)
Tin Pin

where T is absolute temperature.

In general, the ratio of outlet to inlet pressure in a compressor is between 3 and 5. If a

compression ratio greater than 5 is needed, compressors are usually staged with cooling in
between the compressor stages, but not after the last stage. If you choose to do this, the
compression ratio for each stage should be identical, and the intercooling should be to
50C. The process-flow diagram should accurately represent the chosen compressor
configuration.
 2

Heat Exchanger (E-601)

The reactor feed is cooled to T = 350C using a cold utility. In any heat exchanger, the
process stream may not be cooled below the temperature of the utility plus 10C. The 10C
allowance is for design purposes as you will learn next year.

Reactor (R-601)

This is an adiabatic reactor. It is essentially a large pipe packed with catalyst. The
equilibrium conversion can be calculated based on a choice of the operating pressure and the
outlet temperature. These are decision variables that you are expected to manipulate to find
optimum values. The reactor may operate at pressures of 500 kPa P 20,000 kPa and at
any temperature above 350C. The actual conversion in the reactor is 90% of the equilibrium
conversion. You will find the conversions to be low, requiring a large recycle stream. An
alternative reactor configuration that can increase the conversion is to stage several adiabatic
reactors with a heat exchanger between the stages to reduce the inlet temperature to each
subsequent reactor. The number of reactor stages is determined by the economics. The
temperature of the intercooled stream is a potential decision variable. The process-flow
diagram should represent the chosen reactor configuration.

Heat Exchanger (E-602) and Vessel (V-601)

This heat exchanger cools and partially condenses the reactor effluent to a temperature that
condenses ammonia. The subsequent valve reduces the pressure to the desired pressure for
the separator. Equation 4 is used to determine the outlet temperature of the valve for a
chosen pressure. This vessel allows the vapor and liquid produced in E-602 to be separated.
The vapor exits in the top stream, and the liquid exits in the bottom stream. Stream 9
contains all of the light gases in Stream 7 plus some ammonia. Stream 8 contains only
ammonia, and the ammonia split must be calculated for the chosen temperature and pressure..
E-602, the valve, and V-601 may all be treated together for computational purposes as a flash
operation at the chosen temperature and pressure. The temperature and pressure of this flash
are potential decision variables. The appropriate utility must be used in E-602, and the
appropriate utility depends on the temperature chosen for the separation. In any heat
exchanger, the process stream may not be cooled below the temperature of the utility plus
10C. The 10C allowance is for design purposes as you will learn next year.

Compressor (C-602)

The compressor increases the pressure of the recycle stream to the pressure of the stream
with which it is mixed. The compressor may be assumed to be adiabatic. In that case, the
compressor power W (kW) may be calculated as
s

P
0.286
(kmol/s) out
W s (kW) 10,000m 1 (5)
Pin

 3

where m (kmol/s) is the total molar flowrate of Stream 11. Equation 3 includes the
compressor efficiency. The cost of electricity to run the compressor is a utility cost. The
compressor increases the temperature of the stream being compressed according to Equation
4.

In general, the ratio of outlet to inlet pressure in a compressor is between 3 and 5. If a

compression ratio greater than 5 is needed, compressors are usually staged with cooling in
between the compressor stages, but not after the last stage. If you choose to do this, the
compression ratio for each stage should be identical, and the intercooling should be to
50C. The process-flow diagram should represent the chosen compressor configuration.

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, refrigerated water, refrigeration, boiler-feed
water, electricity, and waste treatment.

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.

The capital cost annuity is defined as follows:

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.

Topological optimization involves considering different process configurations (such location

of process equipment, whether or not to add or remove equipment). You may alter the process
configuration in any way that improves the economic performance as long as it does not violate
the laws of nature. Determining the optimum number of staged reactors with intercooling is an
example of a topological optimization.
 4

Parametric optimization involves determining the best operating parameters for the chosen
process topology. It is your responsibility to define appropriate decision variables. It is
suggested that you look carefully at the efficient use of raw materials and the purge/recycle ratio
for Stream 9 as well as the reactor temperature and pressure. 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. This is called a Pareto analysis.

Data

All of the required data, other than the heat capacity of liquid ammonia, may be found in the
appendix of your textbook [1]. For this project, and for this project only, you may use data that
are outside the range of applicability, if necessary. It is suggested that you clearly state this
assumption in your written report.

The heat capacity of liquid ammonia is [2]:

C p 3.0094 4.3692 10 2 T 2.4114 10 4 T 2 5.856 10 7 T 3 5.2953 10 10 T 4 (7)

where the temperature is in Kelvin and the heat capacity units are kJ/mol K.

Equipment Costs

The equipment costs for the ethanol plant are given in Table 1. Each cost is for an individual
piece of equipment, including installation.

Table 1: Equipment Costs

Equipment Installed Cost
in $thousands (in $ for fired
heater)
Reactor, per stage 500
Vessel, V-601 100
Any heat exchanger 200
Any pump 40
Any compressor 0.0189W [ W] 0.8
s
Fired Heater 11 10 x where
x 2.5 0.8 log10 Q
where Q is the heat duty in kW
 5

Utility Costs

Low-Pressure Steam (618 kPa, saturated, cost or credit) $13.28/GJ

Medium-Pressure Steam (1135 kPa, saturated, cost or credit) $14.19/GJ

High-Pressure Steam (4237 kPa, saturated, cost or credit) $17.70/GJ

Natural Gas or Fuel Gas (446 kPa, 25C)

cost $11.00/GJ
credit $9.00/GJ

Electricity $0.06/kWh

Boiler Feed Water (at 549 kPa, 90C) $2.45/1000 kg

(There is a cost for boiler feed water only if the steam produced enters process streams.
If, on the other hand, the steam produced is subsequently condensed, it can be made into
steam again. In that case, there is no net cost for boiler feed water.)

Cooling Water $0.354/GJ

available at 516 kPa and 30C, return pressure 308 kPa
return temperature should be no more than 15C above the inlet temperature

Refrigerated Water $4.43/GJ

available at 516 kPa and 5C, return pressure 308 kPa
return temperature should be no higher than 15C

Low-temperature Refrigerant $7.89/GJ

available at -20C

Very low-temperature Refrigerant $13.11/GJ

available at -50C

Process (Deionized) Water $0.067/1000 kg

available at desired pressure and 30C

Waste Water Treatment $56/1000 m3

based on total volume treated

Raw Material Costs/Product Value

Raw Material or Product price

syngas $0.10/kg
ammonia $500/tonne
 6

Other Information

You should assume that a year equals 8000 hours. This is about 330 days, which allows for
periodic shutdown and maintenance.

Deliverables

Each group must deliver a word-processed report. It should be clear, concise and adhere to
the prescribed format. The format is explained in the written report guidelines, provided in a
separate document. Reports not adhering to the prescribed format will receive significant
deductions and will have to be rewritten. When presenting results for different cases, graphs are
superior to tables. The body of the report should be short, emphasizing only the results and
explaining why the results presented are optimal. The report appendix should contain details of
calculations that are easy to follow. Calculations that cannot be followed easily will lose credit.
Computer output without detailed explanations is not appropriate; neatly hand-written
calculations are best.

The written report is due on Friday, April 24, 2009, by 3:00 pm. Late reports may be
submitted by Monday, April 27, 2009, at the beginning of class, but they will receive an
automatic two-letter-grade deduction. There will be oral presentations of project results in CHE
202 class on Monday, April 27, 2009. Oral presentations will continue on April 29, 2009, since
we will probably be unable to complete all presentations on April 27, 2009. Oral presentation
guidelines will be provided in a separate document. There will be a project review in CHE 230
class on Thursday, April 30, 2009.

Anyone not participating in this project will automatically receive an F for both ChE 202 and
ChE 230, regardless of other grades earned in these classes.

Grading

The report grade for each class will be based on the technical content pertinent to that class,
which includes the response to questions during the oral presentation (50%); the overall technical
content, including that pertinent to the other class (10%); the oral presentation (20%); and the
written report (20%). The grades for the oral presentation and written report will include the
quality of the writing or the oral presentation and the adherence to the prescribed format. The
grades for the oral presentation and written report will be composite grades for the entire team.
Therefore, group preparation and feedback are recommended.

The documents on the following web site provide an indication of the expected attributes of a
written design report and oral presentation.

http://www.che.cemr.wvu.edu/ugrad/outcomes/rubrics/index.php
 7

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.

References

1. Felder, R. M. and R. W. Rousseau, Elementary Principles of Chemical Processes (3rd ed.),

Wiley, New York, 2005.

2. Chemcad Data Base, Chemcad 6.1, Chemstations, Inc., Houston, TX.

 8

Fluid Mechanics, Heat Transfer, Thermodynamics

Design Project

Production of Ammonia

Your assignment is to continue evaluating the details of a process to produce 50,000 tonne/y
of ammonia from a syngas feed. This is the amount of ammonia in the product stream, not the
total mass of the product stream.

A base-case process flow diagram (PFD) is shown in Figure 1. You should use this as a
starting point. Your assignment is to complete the mini-designs described later in this document.

Chemical Reaction

Syngas is available from a pipeline at 1000 kPa and 200C. It is mixed with a recycle
stream, compressed, and heated or cooled to 350C to be fed to the reactor. The reactor operates
adiabatically. The reactor effluent is cooled, the pressure is reduced by a valve, resulting in
partial condensation, producing an ammonia-rich liquid stream. The ammonia liquid product is
in Stream 10. Some of Stream 11 is recycled and some is purged.

The reaction that occurs in the reactor is reversible

N 2 3H 2 2 NH 3 (1)

This is an equilibrium reaction, and the equilibrium constant over a wide range of temperatures is
given by

11,806
K 3.29 10 12 exp (2)
T

The units of K are atm-2. In the reactor, there is a 10C approach to equilibrium.

Process Details

Feed Stream and Effluent Streams

Stream 1: syngas at 200C and 1000 kPa contains 72 mol% H 2, 24 mol% N2, and
4 mol% CH4

Stream 10: ammonia product 50,000 tonne/y a year is 8000 hours

Stream 12: purge used as fuel-gas to furnace there is no credit for this stream
2
Base-Case Equipment Information

Compressors (C-601/C-602)

These compress the feed to a sufficient pressure so that the reactor inlet is at 15,000 kPa.
The compressor consists of two stages with identical compression ratios. The compressors
are adiabatic with a 65% efficiency.

Heat Exchanger (E-601)

This is an intercooler, cooling the feed stream to 50C using cooling water. The pressure
drop is 35 kPa. Since compressors do not get along well with liquids, both the feed and exit
of this heat exchanger must be 100% vapor.

Heat Exchanger (E-602)

This heat exchanger heats or cools the reactor feed to 350C. The pressure drop is 35 kPa.

Reactor (R-601)

This is an adiabatic, packed bed reactor. The inlet pressure is 15,000 kPa. This reactor
should be simulated on Chemcad using the equilibrium reactor module. The pressure unit
must be specified as atm. The approach to equilibrium is 10C, and the pressure drop is 50
kPa.

Heat Exchanger (E-603)

This heat exchanger cools and partially condenses the reactor effluent. The base-case
effluent temperature is 15C, and refrigerated water is used. The pressure drop is 35 kPa.
The subsequent valve reduces the pressure entering the flash to 1050 kPa.

Vessel (V-601)

This vessel separates the light gases from ammonia at the conditions of Stream 9. The
pressure drop across the vessel is 25 kPa, which allows an additional 25 kPa of pressure drop
for the recycle stream. This vessel should be simulated on Chemcad as a flash separator with
mode zero. The vapor exits in the top stream, and the liquid exits in the bottom stream.
Assume a 10-minute liquid residence time for sizing considerations. This means that the
flowrate of the liquid stream exiting in Stream 10 is used to calculate a volume. Then, this
volume is doubled to allow space for the vapor to disengage from the liquid. If you need to
determine the cost of this vessel, assume it is a vertical vessel. The subsequent recycle/purge
ratio is 9/1 in the base case.
Assignment

The assignment consists of the following mini-designs.

1. Fluid Mechanics and Thermodynamics (ChE 310 and ChE 320)

Design Problem

You are to optimize the design of the feed section of the process, which includes the feed
compressors, the intercooler, and Streams 1-5. The stream conditions should be taken from the
base-case simulation performed in Section 5. For exchanger E-601, a detailed design is required
(Mini-Design #2). For the optimization portion, heat transfer areas (and subsequently costs) may
be estimated using an overall heat transfer coefficient of 60 W/m2C.

For the final, detailed design of the heat exchanger (E-601), Mini-Design #2, heat transfer
coefficients must be calculated.

The objective function for the optimization should be the Equivalent Annual Operating Cost
(EAOC, $/y) for this section only, that is defined as:

A
EAOC CAP , i, n AOC (2)
P

where CAP ($) is the capital investment for the compressors, the heat exchanger, and the piping,
AOC ($/y) is the annual operating cost, which includes utility costs for heat exchanger and
compressors, and

i 1 i
n
A
, i , n
P
1 i n
1 (3)

where i = 0.15 (15% rate of return) and n = 10 (ten-year plant life).

The costs for the piping components and heat exchanger are given in the Appendix. The
optimal pipe diameter and schedule number of each stream, the heat exchanger area, the heat
exchanger tube size/pitch, and the compressor duty that minimizes the EAOC must be
determined. For streams with no phase change, the pressure drops for each exchanger may be
estimated from:

15 kPa for the shell-side fluid if 1 inch 16 BWG tubes at 1.25 in square pitch
35 kPa for the tube-side fluid if 1 inch 16 BWG tubes

For other configurations, the pressure drops can be obtained by the scaling methods illustrated in
CHE 310 class.
 For E-601, which will be designed in detail, the approximate pressure drops may be used in
the calculations to determine optimal pipe diameter. However, in the detailed heat exchanger
design, the pressure drops must be calculated using the appropriate relationships.

In order to evaluate the amount and cost of piping required for the mini-design, it may be
assumed that C-601, E-601, and C-602 are at grade (ground level). C-601 is located 3 m of
equivalent length from the mixing point for Streams 1 and 13 with the mixing point 1 m above
grade. The suction line for each compressor is 0.5 m above grade, and the discharge line for
each compressor is 1.5 m above grade. The equivalent length of the pipe for Stream 2 is 3 m, the
equivalent length of the pipe for Stream 3 is 4 m, the equivalent length of the pipe for Stream 4 is
2 m, and the equivalent length of Stream 5 is 3 m. For this mini-design only, both E-601 and E-
602 may be assumed to be horizontal, 1-2 exchangers, with the feed 1.5 m above grade and the
discharge 0.5 m above grade

2. Heat Transfer (ChE 311)

Design of Heat Exchanger, E-601

A detailed design of E-601 is required for base-case conditions. It should be assumed

that cooling water is available at the conditions specified in the Appendix of this problem
statement. For this heat exchanger design, the following information should be provided:
Diameter of shell
Number of tube and shell passes
Number of tubes per pass
Tube pitch and arrangement (triangular/square/..)
Number of shell-side baffles, if any, and their arrangement (spacing, pitch, type)
Diameter, tube-wall thickness, shell-wall thickness, and length of tubes
Calculation of both shell- and tube-side film heat transfer coefficients
Calculation of overall heat transfer coefficient (you may assume that there is no
fouling on either side of the exchanger)
Heat transfer area of the exchanger
Shell-side and tube-side pressure drops (calculated, not estimated)
Materials of construction
Approximate cost of the exchanger

A detailed sketch of the exchanger should be included along with a set of comprehensive
calculations in an appendix to the mini-design.

3. Thermodynamics (ChE 320)

You are to optimize the flash and recycle system, which includes Streams 8, 9, 11, 12, and 13
along with C-601/602, E-601, and V-601. The objective function for the optimization should be
the Equivalent Annual Operating Cost (EAOC, $/y) for this section only, that is defined as:
 A
EAOC CAP , i, n AOC (2)
P

where CAP ($) is the capital investment for the equipment (includes compressors, heat
exchangers, vessel, etc.), AOC ($/y) is the annual operating cost (includes utility costs for
compressor as well as the reactant feed cost), and

i 1 i
n
A
, i , n
P
1 i n
1 (3)

where i = 0.15 (15% rate of return) and n = 10 (ten-year plant life). Optimization variables can
include, but are not limited to the vessel pressure and temperature, and the recycle-to-purge ratio.
The equipment and raw material costs, product value, and equipment efficiencies are found in
the Appendix.

Additionally, the thermodynamics of the ammonia-nitrogen-hydrogen-methane mixture that

enters the flash vessel must be modeled accurately. Inaccuracies in the thermodynamics of the
vapor-liquid equilibrium of this mixture can lead to inaccurate calculations of the phase
separation and the overall cost of the plant. Justify your choice of thermodynamics package
based on an examination of the T-xy diagrams of the pairs of components at a variety of possible
operating pressures.

4. Safety Analysis Report

When designing a chemical process, it is important to know the properties of the

chemicals being consumed and produced in the process as well as the impact of any extreme
process conditions. There is significant documentation of safety practices in ammonia plants.
The purpose of the safety analysis report is to make management aware of risks to personnel due
to extreme operating conditions as well as 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. This
discussion should include general concerns and concerns that are specific to the operating
conditions in this process. In addition, a brief discussion of possible safety hazards for each
piece of equipment in your process should be provided. Finally, a feature of your process design
that addresses one of these concerns should be explained.

5. Chemcad/Process Improvements

A Chemcad simulation of the base case of the process shown in Figure 1 should be
provided. Process improvements that do not violate the laws of physics may be suggested. An
explanation of the rationale for such process improvements should be provided, including an
economic analysis, if possible. Since there is no reactor cost available at this time, it may be
omitted from any economic analysis. Since the reactor is effectively a constant, the optimum is
not affected, but the EAOC is off by a constant value.
Other Information

It should be assumed that a year equals 8000 hours. This is about 330 days, which allows for
periodic shutdown and maintenance.

Suggested Plan of Attack

The safety analysis can begin as soon as the project is distributed. A good place to find
MSDS sheets is http://siri.org. The Chemcad simulation can also be done immediately. Once the
Chemcad simulation is done, the heat exchanger can be designed. The fluid
mechanics/thermodynamics design and the thermodynamics design can be completed next. The
vapor-liquid equilibrium analysis should not be attempted until that material is covered in
thermodynamics class.

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 for all groups,
regardless of presentation date, are due by 11:00 a.m. Thursday, December 3, 2009. 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 preferred software for
preparing PFDs is Corel Draw. A PFD from Chemcad is unacceptable; however, it should be
included in the appendix along with a Chemcad report for the base case. 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, which summarizes the results of your work,
emphasizing what you found, not what you did. There should also be an introduction, which
orients the reader to the problem. 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 with
detailed calculations that are clearly written and easy to follow.

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. 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
your group.

The reports will be evaluated as follows:

course-specific technical content 50%

oral presentation 20%
written report 20%
technical quality of general sections (safety, simulation, etc.) 10%

For a more detailed set of evaluation criteria that we will use, see the following web site (design
project assessment, oral report assessment, written report assessment):
http://www.che.cemr.wvu.edu/ugrad/outcomes/rubrics/index.php

Each report will be assessed separately by each of the three instructors. A historical account
of what each group did is neither required nor wanted. Results and explanations should be those
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 3, 2008, from 11:00 a.m. to
2:00 p.m. and on Friday, December 4, 2009, from 11:00 a.m. to 1:00 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 310, ChE 311,
and ChE 320. Anyone failing to present with his or her group is subject to a minimum one-
letter-grade deduction from the project grade.

Project Review

There will be a project review at 11:00 a.m. on Friday, December 11, 2009. Attendance is
expected.

Teams

This project will be completed in teams 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 the project proceeds,
questions from the class will require revisions and/or clarifications. It is important to be aware
that these revisions/clarifications may be forthcoming.
 Appendix
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 than the minimum, the minimum
attribute value should be used 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, the price
for multiple, identical, smaller pieces of equipment should be used.

Pumps log10 (purchased cost ) 3.4 0.05 log10 W 0.15 log10 W 2

W = power (kW, 1, 300)
assume 80% efficiency

Heat Exchangers log10 ( purchased cost ) 4.6 0.8 log10 A 0.3 log10 A 2
A = heat exchange area (m2, 20, 1000)

Compressors log10 (purchased cost ) 2.3 1.4 log10 W 0.1 log10 W 2

W = power (kW, 450, no limit)
assume 65% efficiency

Compressor Drive log10 (purchased cost ) 2.5 1.4 log10 W 0.18 log10 W 2
W = power (kW, 75, 2600)

Turbine log10 (purchased cost ) 2.5 1.45 log10 W 0.17 log10 W 2

W = power (kW, 100, 4000)
assume 65% efficiency

Fired Heater log10 ( purchased cost ) 3.0 0.66 log10 Q 0.02 log10 Q 2
Q = duty (kW, 3000, 100,000)
assume 80% thermal efficiency
assume can be designed to use any organic compound as a fuel

Vertical Vessel log10 (purchased cost ) 3.5 0.45 log10 V 0.11 log10 V 2
V = volume of vessel (m3, 0.3, 520)

Horizontal Vessel log10 (purchased cost ) 3.5 0.38 log10 V 0.09 log10 V 2
V = volume of vessel (m3, 0.1, 628)

Storage Tanks log10 (purchased cost ) 4.85 0.397 log10 V 0.145 log10 V 2
V = volume of tank (m3, 90, 30000)
Additional Cost Information

Piping straight pipe: $/m = 5.0 (nominal pipe diameter, in)(1+(sch #)/20)0.25
sch = schedule number for pipe
use the same schedule 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

Utility Costs

Low-Pressure Steam (618 kPa saturated) $13.28/GJ

Medium-Pressure Steam (1135 kPa saturated) $14.19/GJ

High-Pressure Steam (4237 kPa saturated) $17.70/GJ

Natural Gas (446 kPa, 25C) $11.00/GJ

Fuel Gas Credit none, but there is no treatment cost

Electricity $0.06/kWh

Boiler Feed Water (at 549 kPa, 90C) $2.45/1000 kg

Cooling Water $0.354/GJ

available at 516 kPa and 30C
return pressure 308 kPa
return temperature is no more than 15C above the inlet temperature

Refrigerated Water $4.43/GJ

available at 516 kPa and 10C
return pressure 308 kPa
return temperature is no higher than 20C

Deionized Water $1.00/1000 kg

available at 5 bar and 30C

Waste Treatment of Off-Gas incinerated zero cost

Low-temperature Refrigerant $7.89/GJ

available at -20C
 Very low-temperature Refrigerant $13.11/GJ
available at -50C

Wastewater Treatment $56/1000 m3

Raw Material Costs/Product Value

Raw Material or Product price

syngas $0.10/kg
ammonia $500/tonne

Equipment Cost Factors

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
100 - 200 atm, PF = 25

Carbon Steel MF = 0.0

Stainless Steel MF = 4.0
}
Separations and Reaction Engineering
Design Project

Production of Ammonia

Your assignment is to continue evaluating the details of a process to produce 50,000 tonne
ammonia per year from synthesis gas. This ammonia synthesis loop is to be integrated with a
larger process that converts coal into synthesis gas (syngas), adjusts the composition of the
syngas, and produces ammonia. Ammonia is one of the top five commodity chemicals produced
by the chemical industry. It is used as a raw material for nitrogen oxides and fertilizers, among
other products. As the final part of the feasibility study, we would like you to study the details of
the reactor and separation section of proposed plant and then optimize the complete process.
Your final design should be an optimized process and should include all unit operations
necessary to produce the desired amount and purity of ammonia.

Chemical Reaction

To provide an initial guess for the integration of the ammonia synthesis loop into the overall
process, the syngas feed is assumed to have been pretreated to yield stoichiometric amounts of
nitrogen and hydrogen. The syngas is available at 1000 kPa and 200C. The syngas feed
specifications are 24.4 mole % nitrogen, 73.3 mole % hydrogen, 2.3 mole % methane, and 5.6
ppm carbon dioxide. In the pretreatment, oxygen-containing compounds like CO 2 must be
removed, because amounts above 10 ppm in the reactor poison the catalyst. One method for
accomplishing this is by methanation, hence the small amounts of methane in the feed syngas. If
carbon dioxide must be removed from the process feed, monoethanolamine or diethanolamine
(pure or dissolved in water) are recommended solvent candidates for a scrubber. The solvent can
be recovered by stripping. These amines may require non-typical materials of construction.

The reaction is reversible and described by:

N 2 3H 2 2 NH 3 (1)

Detailed kinetics for the reaction are described in Appendix 2. The ammonia product stream is to
have an ammonia content of greater than 99.9 weight % as a liquid that can be pumped to a
nearby rail loading facility. For additional information on ammonia production, consult the
literature. Some possibilities are suggested.1,2 It is highly recommended that you read about
ammonia production before proceeding with this assignment. Many chemical prices are available
at http://www.icis.com/StaticPages/a-e.htm. The value of syngas is $0.10/kg.
Specific Assignments

1. Separations Design (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 ammonia should be designed in detail. A detailed design of a tray tower
includes number of trays, tray spacing, diameter, reflux ratio, 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 Wankat 3, p. 336, is that for
Koch Flexipac #2. Assume the HETP for the structured packing to be 0.6 m (see the definition
of HETP in Wankat3, p. 332, and the relationship between HETP and HOG in Equation (15.36) in
Wankat3.), and that the pressure drop is 0.2 kPa/m (0.245 inch water/ft).

2. Reactor Design (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 Dowtherm A. 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 Dowtherm A can be
obtained from Chemcad.

For your best case, you should include a discussion of the temperature, pressure, and
concentration profiles obtained from Chemcad.

Other Information

It should be assumed that a year equals 8000 hours. This is about 330 days, which allows for
periodic shutdown and maintenance.

Deliverables

General

The entire ammonia process should be optimized using decision variables of your choosing.
Decision variables should be chosen as those 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, conversion, 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.

The capital cost annuity is an annual cost (like a car payment) associated with the one-time,
fixed cost of plant construction.

The capital cost annuity is defined as follows:

i (1 i ) n
capital cost annuity FCI (5)
(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).
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

Written Reports

Each group must deliver a report written using a word processor. Two identical copies
should be submitted, one for each instructor. The written project reports are due by 11:00 a.m.
Wednesday, April 21, 2010. 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 preferred software for
preparing PFDs is Corel Draw. A PFD from Chemcad is unacceptable; however, it should be
included in the appendix along with a Chemcad report for the base case. 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. 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 two mini-designs, it is suggested that the report be organized
with the following sections. There should be a general abstract and introduction. Then, there
should be a results section followed by a discussion section for each of the major components of
this design project, namely the design of the reactor and separation strategy. General conclusion
and recommendation sections should follow. At a minimum, there should be separate appendices
for each class, ChE 312 and ChE 325, each containing detailed calculations that are clearly
written, easy to follow, and appropriate for the respective class.

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. 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
your group.

The reports will be evaluated as follows:

course-specific technical content 50%

oral presentation 20%
written report 20%
 technical quality of general sections (safety, simulation, etc.) 10%

For a more detailed set of evaluation criteria that we will use, see the following web site (design
project assessment, oral report assessment, written report assessment):
http://www.che.cemr.wvu.edu/ugrad/outcomes/rubrics/index.php

Each report will be assessed separately by both instructors. A historical account of what each
group did is neither required nor wanted. Results and explanations should be those 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.

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.

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,

2. a stream table containing the usual items,

3. a list of new equipment for the process, costs, plus equipment specifications (presented
with a reasonable number of significant figures),

4. a summary table of all utilities used,

5. a clear summary of alternatives considered and a discussion, supported with figures, of

why the chosen alternative is superior,

6. a clear economic analysis which justifies the recommended case

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
stream properties. Missing Chemcad output will not be requested; credit will be deducted
as if the information is missing.
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 Wednesday April 21, 2010, from 11:00 a.m. to 1:00
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 312 and ChE 325.

Teams

This project will be completed in teams 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,
questions from the class will require revisions and/or clarifications of the problem statement.
You should be aware that these revisions/clarifications might be forthcoming.

References

1. Eggeman, T., Ammonia, Kirk-Othmer Encyclopedia of Chemical Technology, on-line

version, 10/18/2001. (This encyclopedia is accessible from any University computer at
http://www.libraries.wvu.edu/databases. An older print version is available in the Evansdale
Library reference section.)

2. Quartulli, Orlando J., William Turner, and Keith W. Padgett, Ammonia, in Encyclopedia of
Chemical Processing and Design, (J. J. McKetta, ed.), Marcel Dekker, New York, vol. 3,
256-278 (1977). (This collection is available in the reference section of the Evansdale
Library, first floor, back and to the right.)

3. Wankat, P., Separation Process Engineering, Second Edition, Prentice Hall, Upper Saddle
River, NJ, 2007.
 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 than the minimum, the minimum
attribute value should be used 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, the price
for multiple, identical, smaller pieces of equipment should be used.

Pumps log10 (purchased cost ) 3.4 0.05 log10 W 0.15 log10 W 2

W = power (kW, 1, 300)
assume 80% efficiency

Heat Exchangers log10 ( purchased cost ) 4.6 0.8 log10 A 0.3 log10 A 2
A = heat exchange area (m2, 20, 1000)

Compressors log10 (purchased cost ) 2.3 1.4 log10 W 0.1 log10 W 2

W = power (kW, 450, no limit)
assume 70% efficiency

Compressor Drive log10 (purchased cost ) 2.5 1.4 log10 W 0.18 log10 W 2
W = power (kW, 75, 2600)

Turbine log10 (purchased cost ) 2.5 1.45 log10 W 0.17 log10 W 2

W = power (kW, 100, 4000)
assume 65% efficiency

Fired Heater log10 ( purchased cost ) 3.0 0.66 log10 Q 0.02 log10 Q 2
Q = duty (kW, 3000, 100,000)
assume 80% thermal efficiency
assume it can be designed to use any organic compound as a fuel

Vertical Vessel log10 (purchased cost ) 3.5 0.45 log10 V 0.11 log10 V 2
V = volume of vessel (m3, 0.3, 520)

Horizontal Vessel log10 (purchased cost ) 3.5 0.38 log10 V 0.09 log10 V 2
V = volume of vessel (m3, 0.1, 628)

Catalyst $2.25/kg

Packed Tower Cost as vessel plus cost of packing

Packing log10 (purchased cost ) 3 0.97 log10 V 0.0055 log10 V 2
V = packing volume (m3, 0.03, 628)

Tray Tower Cost as vessel plus cost of trays

Trays log10 (purchased cost ) 3.3 0.46 log10 A 0.37 log10 A 2

A = tray area (m2, 0.07, 12.3)

Reactors For this project, the reactor is considered to be a vessel.

Storage Tanks log10 (purchased cost ) 4.85 0.397 log10 V 0.145 log10 V 2
V = volume of tank (m3, 90, 30000)

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.

Additional Cost Information

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

Utility Costs

Low-Pressure Steam (618 kPa saturated) $13.28/GJ

Medium-Pressure Steam (1135 kPa saturated) $14.19/GJ

High-Pressure Steam (4237 kPa saturated) $17.70/GJ

Natural Gas (446 kPa, 25C) $11.00/GJ

Fuel Gas Credit $9.00/GJ

Cost of syngas $0.10/kg

Cost of monoethanolamine $2.42/kg

Cost of diethanolamine $2.75/kg

 Electricity $0.06/kWh

Boiler Feed Water (at 549 kPa, 90C) $2.45/1000 kg

Cooling Water $0.354/GJ

available at 516 kPa and 30C
return pressure 308 kPa
return temperature is no more than 15C above the inlet temperature

Refrigerated Water $4.43/GJ

available at 516 kPa and 10C
return pressure 308 kPa
return temperature is no higher than 20C

Deionized Water $1.00/1000 kg

available at 5 bar and 30C

Waste Treatment of Off-Gas incinerated - take fuel credit

Low Temperature Refrigeration $7.89/GJ

Coolant stream at -20C

Very Low Temperature Refrigeration $13.11/GJ

Coolant stream at -50C

Wastewater Treatment $56/1000 m3

Equipment Cost Factors

Total Installed Cost = Purchased Cost (4 + material factor (MF) + pressure factor (PF))

Pressure < 10 atm, PF = 0.0
(absolute) 10 - 20 atm, PF = 0.6
20 - 40 atm, PF = 3.0
40 - 50 atm, PR = 5.0
50 - 100 atm, PF = 10
does not apply to turbines, compressors, vessels,
packing, trays, or catalyst, since their cost
equations include pressure effects

Carbon Steel MF = 0.0

Stainless Steel MF = 4.0
 Appendix 2
Information on Reaction Kinetics

The main reaction in the catalytic synthesis of ammonia is

N 2 3H 2 2 NH 3 (A2-1)

Experimental analysis of the performance of this catalyst has been reported to give the following
expression for the net rate of reaction of nitrogen:

p N p1H.52 p NH 3
rN 2 k f 2
kr (A2-2)
p NH p1H.52
3

where kf and kr are the reaction rate constants for the forward and reverse reactions, the rate units
are kmol/(m3 catalyst hr), the partial pressure is in atm, and the gas constant is in kcal/mol. In
Chemcad, chose the activation energy in kcal, the volume in m3, the molar flow in kmol, the
mass flow in kg, and the time unit of hr. The rate constants were reported as follows:

17,307
k f 582.3 exp (A2-3)
RT

and

40,765
k r 1.77 1014 exp (A2-4)
RT

where the activation energy is given in kcal/kmol and temperature is in Kelvins. The catalyst is
promoted iron oxide, with a specific gravity of 2.6 and a packing void fraction of 0.44.
Remember that the required units in Chemcad for the reaction rate are kmol/m3reactor hr.

You may wish to consider several reactor configurations. Some suggested configurations are
shell-and-tube packed bed with heat removal, adiabatic reactor, and staged adiabatic packed beds
with intercooling. There are other possibilities.