Simulation Ammonia Plant On PRO II

PRO/II CASEBOOK
Ammonia Synthesis
ABSTRACT
Over 100 million tons of ammonia are produced each year. The rewards for reducing costs, increasing
efficiency and improving the profitability of ammonia plants are enormous. Computer simulation of the plant
is the first step towards identifying which parameters control the conversion rate, the product purity, the energy
usage and the production rate.
This casebook demonstrates the use of PRO/II
in the simulation of ammonia process. The entire plant is

modeled, from the reforming of the hydrocarbon feedstream to synthesis gas through its purification to its
conversion to ammonia in a synthesis reactor.
The ammonia synthesis loop involves a large recycle compared to the feed and product rates. In addition
there are several thermal recycles and two control loops. Special thermodynamics are used to ensure that
the separation of ammonia from the other components is predicted accurately.
The casebook outlines the use of the model for parametric studies in the evolution of a control strategy.
Casebook #3. Ammonia Synthesis
Rev. 0 January 1992
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INTRODUCTION
Chemically combined nitrogen is essential for the growth of all living organisms. Neither animals nor (with
one or two exceptions) plants can assimilate free nitrogen from the air; they depend upon nitrates, ammonium
salts or other nitrogen compounds found in the soil.
The natural supplies of fixed nitrogen were adequate for many centuries to satisfy the normal processes of
nature. However, by the beginning of the nineteenth century, the increase in world population and the growth
of big cities created a demand from the more industrialized countries for other supplemental sources of fixed
nitrogen.
This supplement was first found in imported guano and sodium nitrate and later in ammoniacal solutions and
ammonium sulphate by-products from the carbonization of coal in gas-works and coke ovens.
By the start of this century, with the demand for fertilizer nitrogen again having outstripped supply, necessity
had once again become the mother of invention and three different processes for the fixation of nitrogen were
in commercial operation and adequate supplies of fertilizer nitrogen were assured.
One of those three was the direct synthesis of ammonia from nitrogen and hydrogen by the Haber-Bosch
process. This was developed in Germany between 1905 and 1913 and virtually all fixed nitrogen is now
produced by this process.
The total world production in 1990 was over 100 million tons of fixed nitrogen and is increasing at the rate of
over 4% per annum. More than 90% of this is produced as ammonia and about 80% of the total fixed nitrogen
production is used in fertilizers.
Alternative Routes to Ammonia
There are three principal licensors of ammonia synthesis processes
1
: Braun, ICI and Kellogg. All produce
ammonia from hydrocarbon feedstocks and air. The hydrocarbon feedstock is usually a natural gas although
others, such as naphtha, are used where natural gas is not locally available.
The processes are fundamentally similar: the feed hydrocarbon gas is desulfurized then converted to
synthesis gas in a reforming process followed by a CO shift and methanation. The resulting syngas, after
purification, is a mixture of hydrogen and nitrogen in stoichiometric quantities (3:1). This is converted to
ammonia in a synthesis reactor which, because of a low conversion per pass, is in a recycle loop.
Braun Process
The key features of the Braun Purifier process are mild primary reforming, secondary reforming with excess
air, cryogenic purification of Syngas and synthesis of ammonia in Braun converters.
Twenty five single-train plants of Braun design have been contracted worldwide including the worlds largest
at 2,000 tons/day.
1
ICI Process
There are two ICI processes. The AMV process is a large, world-scale process for ammonia production and
has a tightly integrated energy recovery system. The LCA process produces ammonia efficiently in small
scale plants of the order of 500 tons/day and uses pressure swing adsorption to remove nitrogen, carbon
monoxide and inerts from the syngas.
1
ICI licenses its ammonia processes to Chiyoda and Mannesman/KTI.
The Kellogg Process
At almost 150 units worldwide, the Kellogg process has been installed in more ammonia plants than any
other process.
1 Hydrocarbon Processing, March 1991
3
Although the Kellogg process is a licensed process, operational benefits can be gained from changing a
number of the variable parameters: temperatures, recycle rates, air and steam quantities and so on. Recently
there has been some work on lowering the steam to carbon ratio to the primary reformer and modifying the
catalysts used in the shift converters.
The emphasis in ammonia plants today is for lower energy usage. New Kellogg plants claim 6.3Gcal/short
ton for all energy requirements. This compares with 6.5 Gcal/ton claimed for the ICI AMV process and 7.0
Gcal/ton for the ICI LCA process.
1
PROCESS OVERVIEW
The ammonia process is a single train process and divides into four stages, which operate sequentially. In
stage 1 the natural gas undergoes catalytic reforming to produce hydrogen from methane and steam. The
nitrogen required for the ammonia is introduced at this stage. In stage 2, the resulting syngas is purified by
the removal of carbon monoxide and carbon dioxide. Stage 3 consists of compression of the syngas up to
the pressure required in stage 4, the ammonia loop.
Feedstocks and Products
Main Feeds
The main feedstock for this ammonia process is 6 million SCFD of natural gas at a temperature of 60
o
F and
a pressure of 340 psig. Its composition is shown in Table 1.
Table 1
Natural Gas Feed
Component Mole %
Carbon dioxide
2.95
Nitrogen
3.05
Methane
80.75
Ethane
7.45
Propane
3.25
Butane
2.31
Pentane
0.24
Before entering the primary reformer, the natural gas is mixed with superheated steam at 334 psig and 950F.
Nitrogen is supplied from the air which is fed to the secondary reformer at 289 psig and 330

F. The
composition of air is displayed in Table 2.
Table 2
Air Feed
Component Mole %
Oxygen
21.00
Nitrogen
78.05
Argon
0.95
There is also a water feed which is used to saturate the syngas in the MEA plant.
4
Products
The main product of an ammonia plant is, of course, ammonia. The ammonia product stream must have a
purity greater than 99.5%. The major impurities are hydrogen, nitrogen, argon and methane.
The other product streams are:
-- letdown gas from the final separator consisting of 45% ammonia, 30% hydrogen with the rest being
nitrogen, argon and methane
-- purge gas from the ammonia loop consisting of 10% ammonia, 50% hydrogen plus nitrogen, argon
and methane
Ammonia is recovered from the letdown and purge gases in an absorber.
Detailed descriptions of the product streams may be found at the end of the Simulation section in Table 3.
Stage 1: Catalytic Reforming
Following sulfur removal, the primary steam reformer converts about 70% of the hydrocarbon feed into raw
synthesis gas in the presence of steam using a nickel catalyst.
The main reforming reactions are:
CH
4
+ H
2
O
CO + 3H
2
CO + H
2
O
CO
2
+ H
2
In the secondary reformer, air is introduced to supply the nitrogen. The heat of combustion of the partially
reformed gas raises the temperature and supplies the energy to reform most of the remaining hydrocarbon
feed.
The reformer product stream is used to generate steam and to preheat the natural gas feed.
STEAM
AIR
GAS
AIR
AIR COMPRESSOR
PRIMARY REFORMER
SECONDARY
DESULFURIZER
GAS HEATER
INTERCHANGER
WASTE HEAT
NATURAL
BOILER
REFORMER
GAS
TO SHIFT REACTORS
5
Stage 2: Shift and Methanation
The shift conversion is carried out in two stages. The first uses a high temperature catalyst and the second
uses a low temperature one.
The shift convertors remove the carbon monoxide produced in the reforming stage by converting it to carbon
dioxide by the reaction:
CO + H
2
O
CO
2
+ H
2
This reaction also creates additional hydrogen for the ammonia synthesis.
Shift reactor effluent is cooled and the condensed water is separated. The gas is then passed to the
purification section where carbon dioxide is removed from the synthesis gas in any one of a number of systems
such as hot carbonate, MEA, Selexol etc.
After the purification stage, the last traces of carbon monoxide and carbon dioxide are removed in the
methanation reactions:
CO + 3H
2
O
CH
4
+ H
2
CO
2
+ 4H
2

CH
4
+ 2H
2
O
6
Stage 3: Compression
The purified synthesis gas is cooled and the condensed water is removed. The gas is then compressed in
a three stage unit. The centrifugal compressors are driven by steam turbines using steam generated in the
plant itself, reducing overall power consumption.
Stage 4: Conversion
The compressed synthesis gas is dried, mixed with a recycle stream and introduced into the synthesis loop
after the recycle compressor. The gas mixture is chilled and liquid ammonia is removed from the secondary
separator. The vapor is heated and passed to the ammonia converter. The feed is preheated inside the
convertor before entering the catalyst bed.
7
The ammonia synthesis reaction is:
N
2
+ 3H
2

2NH
3
Very high pressures (typically in excess of 300 atmospheres) are required in order to obtain a reasonable
conversion. The conversion of hydrogen per pass is still less than 30% and so a large recycle of unreacted
gases is necessary.
The convertor vapor product is cooled by ammonia refrigeration in the primary separator to condense the
ammonia product.
A purge is removed from the remaining gases to prevent the build up of inerts in the loop. The molar
concentration of inerts (argon and methane) in the convertor feed is maintained at 12%.
ENERGY INTEGRATION
The process features a high level of energy integration. Nearly all the power and heating requirements of
the process are met by the heat available elsewhere in the process.
In the Reformer
The primary reformer passes the natural gas and steam mixture through catalyst-packed tubes in a furnace.
The furnace exhaust gases are used to generate steam in a series of boilers. This steam is then used to
drive the compressors.
The effluent from the secondary reformer is used in a waste heat boiler and then to preheat the feed to the
desulfurizer.
In the Shift and Methanators
The methanator feed is preheated by exchanging with the methanator product and then further heated by
exchange with the high temperature shift reactor effluent. Energy from this effluent is further recovered in a
waste heat boiler.
The effluent from the low temperature shift reaction is used in another reboiler.
In the Conversion
The products from the ammonia converter are mixed with the synthesis gas from the compressors and cooled
for ammonia separation by exchange with the converter feed. The convertor feed is preheated by the
products inside the convertor vessel.
MATERIAL RECYCLE
The final stage, the Synthesis Loop, is a recycle operation. The conversion of nitrogen and hydrogen to
ammonia in the converter is very low - less than 30% of the hydrogen is converted per pass. Therefore there
has to be a large recycle in order to convert all the feed and ensure that the final ammonia product reaches
the required purity.
The ratio of recycle to ammonia product is of the order of 3:1.
8
PROCESS SIMULATION
The full input for the simulation may be found in Appendix B. Fragments of the input are shown here to
illustrate points of interest. For detailed explanations of all the input data, please refer to the PRO/II Keyword
Input Manual, which may be obtained from SimSci.
The Simulation Flowsheets shown below differ from the previous process flowsheets in that they include
stream identifiers and show the way the simulation is solved. This is especially important for recycle solutions,
both for thermal recycles and material recycles.
A full flowsheet may be found in Appendix A.
General Data
Because stage 4 of this process involves a loop which has a large recycle rate in comparison to the product
rates, it is essential that the flowsheet balances. The normal stream recycle convergence tolerances must
therefore be tightened - in this case to 0.05%. The threshold mole fraction limit for trace components in the
recycle is also reduced in order to ensure that all components are checked for the loop convergence.
The maximum allowed number of recycle trials is increased to 100 and, to check the overall balance, PRO/II
is asked to carry out an overall material balance (MBAL)
PRINT INPUT=SEQUENCE, STREAM=PART, RATE=M, MBAL
CALC TRIAL=100
TOLER STREAM=5e-4,-1.0,0.001,0.01
Component Data
All the components in the simulation are in the PRO/II data bank.
Thermodynamic Data
For most of the units in the flowsheet the Soave-Redlich-Kwong (SRK) equation of state is an excellent
predictor of phase equilibrium and thermal properties. However, in stage 4 where the ammonia is being
separated from the recycle gas in flash units, a more accurate prediction is needed to represent the interaction
between ammonia and the other components in the streams. For this, a second method is defined with SRK
interaction parameters:
THERMO DATA
METHOD SYSTEM=SRK, DENS(L)=RACKETT, SET=1, DEFAULT
METHOD SYSTEM=SRK, DENS(L)=RACKETT, SET=2
$ TEMPERATURE DEPENDENT KIJS FOR THE NH3 SEPARATORS
KVALUE
SRK(R) 5, 6, 0.0850 / & $ H2 - N2
5, 7, 0.0004 / & $ H2 - A
5, 8, -0.2079 / & $ H2 - C1
7, 8, 0.0204 / & $ A - C1
5, 13, 0.2760 / & $ H2 - NH3
6, 13, 0.3100 / & $ N2 - NH3
7, 13, 0.3383 / & $ A - NH3
8, 13, 0.1800 $ C1 - NH3
9
The alternative data set is invoked in the ammonia separators by the instruction:
METHODS SET=2
Stream Data
Feed Streams
The main feed streams - natural gas, steam and air - are defined in the normal way by rate, composition,
temperature and pressure. In addition there is a water feed to the MEA plant which ensures that the syngas
leaves the plant saturated.
Recycle Streams
There is a recycle stream in stage 4. Because of the large flowrate of this stream relative to the flowsheet
feeds and products and because the ammonia species is created in the recycle, an initial estimate of the rate
and composition of the recycle stream is supplied.
$ RECYCLE GUESS
PROP STRM=31R, TEMP=85, PRES=4660, *
COMP=5,6000 / 6,2000 / 7,300 / 8,1000 / 13,700
Other Streams
There are several thermal recycles in this flowsheet. These may be simulated in several ways
-- they can be input as they are and allowed to converge naturally
-- they may be replaced by simpler units and solved rigorously after the flowsheet has solved
-- they may be circumvented by using the REFERENCE STREAM facility.
PROP STRM=13, REFS=11, TEMP=400, PRES=274 $ LTS SHIFT FEED
PROP STRM=21, REFS=19, TEMP=675, PRES=254 $ METHANATOR FEED
In stage 2, the feed to the low temperature shift reactor (stream 13) is referenced to the high temperature
shift product (stream 11). This defines all the properties of stream 13 except temperature and pressure,
which are always as defined on this instruction. Similarly, stream 21 is referenced to stream 19. These
reference streams allow the heat exchangers to be solved separately after converging the air flowrate
controller loop.
Stream 13 is not defined as a product from a unit operation. However, in stage 4, stream 38B is a unit
operation product. Nevertheless, in order to eliminate a thermal recycle around the Ammonia Converter, it
is referenced to stream 38.
PROP STRM=38B, REFS=38, PRESS=4780, TEMP=575
This means that stream 38B takes its composition and rate at all times from stream 38 but its temperature
and pressure are calculated by the heat exchanger from which it is a product.
10
Unit Operations for Stage 1 - Catalytic Reforming
Input
Since there is no sulfur in the input, the Desulfurizer RX1 can be modeled as an isothermal flash to set the
temperature and pressure of the reformer feed.
Both the reformers, RX2 and RX3, are modeled as Gibbs Free Energy reactors with typical temperature
approaches specified.
The rate of air feed to the secondary reformer must be such that the syngas product from stage 2 has the
correct nitrogen:hydrogen ratio. This is achieved by putting a controller on the stage 2 Methanator product
and varying the air feed rate to the secondary reformer. This means that stages 1 and 2 are in a controller
loop.
To satisfy the primary reformer, the molar ratio of steam (stream 5) to natural gas (stream 1) should be 6:1.
The flow rate of the steam could be set to the correct value in the Stream Data Section. However, that would
involve calculating the molar rate of natural gas (the stream is known only in volume units) before the
simulation begins. It is much easier to let the program do the calculation. Furthermore, now the natural gas
stream can be changed at any time (for a turndown case or a different design case) and the steam rate is
automatically recalculated.
CALC UID=S1, NAME=STM-GAS FLOW
SEQU STREAM=1,5
PROCEDURE
R(1) = 6.0 * SMR(1) $ SET R(1) TO 6 * GAS RATE
CALL SRXSTR(SMR,R(1),5) $ SET RATE OF STREAM 5 TO R(1)
RETURN
11
The secondary reformer product (stream 8) is used to preheat the desulfurizer feed (stream 2). This thermal
recycle is not a simple one in that the process demands a fixed temperature for both the products from
exchanger X-1. This is achieved by dividing the exchanger into two halves: the cold side is X-1A and is
solved before the desulfurizer; the secondary reformed product is cooled in H-1, a combination of waste heat
boiler WHB1 and the hot side of X-1.
HX UID=X-1A
COLD FEED=2, V=3, DP=2
SPEC COLD, TEMP=750
..............
Solve Desulfurizer
Solve Primary Reformer
Solve Secondary Reformer
..............
HX UID=H-1, NAME=COOL REFGAS
HOT FEED=8, M=10, DP=4
SPEC HOT, TEMP=675
After stages 1 and 2 have solved, H-1 is divided into WHB1 and the hot side of X-1 (X-1B). This can be
achieved because PRO/II allows streams to be feeds to more than one unit although care must be taken not
to duplicate product stream names (hence stream 10X). This procedure also uses the facility to reference
duties from one exchanger to another.
HX UID=WHB1
HOT FEED=8, V=9, DP=2
DEFI DUTY, AS, HX=H-1, DUTY, MINUS, HX=X-1A, DUTY
HX UID=X1-B
HOT FEED=9, V=10X, DP=1
DEFI DUTY, AS, HX=X-1A, DUTY, MULTIPLY, -1.0
WHB1s duty is calculated as the difference between the duties of H-1 and X-1A. X1-Bs duty is simply the
same as that for X1-A but with the opposite sign.
Results
The stream calculator determines the steam flowrate as 3953 lb mole/hr which is six times the natural gas
flowrate.
Virtually all of the C2 and higher hydrocarbons are broken down in the primary reformer and converted to
hydrogen, carbon monoxide and carbon dioxide. 58% of the methane in the feed is also converted. 95% of
the residual methane is converted in the secondary reformer along with the remaining traces of ethane and
propane. All of the oxygen is consumed in the secondary reformer.
The duties of WHB1 and X-1 are 53.7 and 4.2 MM Btu/hr respectively.
12
Unit Operations for Stage 2 - Catalytic Shift and Methanation
Input
Both the High Temperature Shift Reactor (RX4) and the Low Temperature Shift Reactor (RX5) are modeled
by the general reactor unit operation using built-in shift reaction equilibrium data. They operate adiabatically
and the products are assumed to be at equilibrium.
The MEA plant removes the bulk (99.92%) of the carbon dioxide from the shift reactor product and is modeled
as a stream calculator (T-1). The treated gas is saturated with water in flash unit SAT and excess water
discharged.
The final part of stage 2 is the Methanator (RX6), modeled by the general reactor unit using built-in methanator
and shift reaction equilibrium data. The reactor operates adiabatically and equilibrium is assumed to be
achieved.
The syngas must have a hydrogen:nitrogen molar ratio of 3:1 to satisfy the stoichiometry of the ammonia
reaction. This is accomplished by inserting a controller to measure that ratio in the Methanator product and
vary the air feed to the Secondary Reformer until the required ratio is achieved. Thus there is a significant
loop involving most of the units of stages 1 and 2. This makes it all the more important for any thermal
recycles within that loop to be eliminated if at all possible.
The thermal recycle in stage 2 of the plant is a complex one, involving preheating the Methanator feed first
with its own product and then with the RX4 product. This recycle is eliminated by referencing streams 13
and 21 to bypass these exchangers completely.
13
Stream 13 is the same as stream 11 except for its temperature and pressure, both of which are known.
Therefore stream 13 is set in the Stream Data Section and referenced to stream 11. It gets its rate and
composition from stream 11 and its conditions from the Stream Data Section.
In the same way, stream 21 is referenced to stream 19.
After the control loop has solved, exchangers X-2, WHB2 and X-3 are solved in the normal way, except that
product stream names must not be duplicated.
Results
The controller solves after 3 trials with an air flowrate of 1009 lb mole/hr. This produces the required
hydrogen:nitrogen ratio in the product from the methanator.
85% of the carbon monoxide is converted in RX-4 and 93% of the remainder is converted in RX-5. This gives
a concentration of 0.055% carbon monoxide and 11.1% carbon dioxide in the exit gas from RX-5. The
concentration of carbon dioxide is reduced to 0.02% in the MEA Plant.
The final removal of all the carbon monoxide and carbon dioxide is carried out in the methanator reactor.
Unit Operations for Stage 3- Compression
Input
The Condensate Separator (D-2) is modeled as a flash unit, decanting water in a declared water stream and
using the PRO/II built-in water solubility data.
The compressors are modeled as single stage isentropic compressions with a specified adiabatic efficiency
of 95%. Each one has an aftercooler reducing the product temperature to 95 F. The first and second
compressors also have water decantation streams to knock out any liquid water that may have condensed
out in the aftercoolers. Finally, all the remaining water is removed in a drying unit (SEP1), modeled as a
stream calculator.
Results
The compressor work for the three stages is 1752, 1831 and 1778 HP respectively. The corresponding
aftercooler duties are 4.73, 4.70 and 4.35 MM Btu/hr.
Most of the water is removed after the first compressor with smaller amounts after the other two. The final
separator removes all remaining water from the synthesis loop feed.
14
Unit Operations for Stage 4 - Conversion
Input
The fourth compressor (CP-4) is in the ammonia recycle loop. The loop starts at that unit, stream 31R being
the main recycle stream. An initial estimate for this stream is needed, as discussed in the Stream Data
Section above.
The Ammonia Converter feed is preheated by exchanging inside the converter with its product stream. This
exchanger is modeled separately in the flowsheet as FDEF. The exchangers before the separators do not
appear on the simulation flowsheet as they are combined with the separators.
There are two thermal recycles in the loop. The loop involving the convertor and feed preheater is split by
referencing the convertor feed (stream 38B) to the product from exchanger X-4 (stream 38) in the Stream
Data Section. FDEF is then solved after the convertor when both feed streams have been calculated.
The loop involving exchanger X-4 is solved explicitly as it appears in the flowsheet. This involves introducing
an inner loop within the ammonia recycle loop. This loop could also be eliminated by using the devices
mentioned above.
The Ammonia Converter (RX-7) is modeled using a general reactor model with supplied equilibrium data.
REAC UID=RX-7, NAME=CONVERTER
FEED 38B
PROD V=29A
OPER PHASE=V, ADIA, DP=30, TEMP=900 $ TEMP ESTIMATE
RXCA EQUIL, REFTEMP=800
STOI 5,-3 / 6,-1 / 13,2 $ 3H2 + N2 = 2NH3
BASE COMP=6, HEAT=-45.108
EQUI -32.975, 22930.4 $ LN(K) = A + B / DEG R
APPR DT=20
The reference condition for heat of reaction data is given as vapor at 800 F and the stoichiometry represents
the well-known ammonia synthesis reaction. The heat of reaction is given as -45.18 thousand energy units
per mole of base component reacted, in this case nitrogen. The equilibrium constant is a function of
temperature according to the Arrhenius equation:
Ln(Keq) = A + B/T
15
The equilibrium constant is computed at a temperature equal to the reaction temperature minus the approach
temperature difference given.
The feed to the reactor has to contain 12 mole% of inerts (argon and methane). This is achieved by varying
the rate of the recycle stream 31R using a controller (CTL1). Because this stream is also the recycle stream
for the main loop, the action of the controller could conflict with the recycle convergence. This is avoided by
solving the recycle before the controller is invoked.
In order to maintain the inerts material balance, a purge stream is taken off the recycle stream. The rate of
this stream is calculated in a calculator (BD-1).
CALCULATOR UID=BD1, NAME=PURGE RATE
DEFINE P(1) AS STREAM=28,COMP=7,RATE
DEFINE P(2) AS STREAM=32A,COMP=7,RATE
SEQUENCE STREAM=31X
PROCEDURE
V(1) = P(1) - P(2) - P(3)
IF (V(1) .LE. 0.001) V(1) = 0.001
CALL SRXSTR(SMR, V(1), 31X)
RETURN
SPLIT UID=SP1, NAME=PURGE
FEED 31
PROD V=31P, V=31R
SPEC STRE=31P, COMP=7, RATE, RATIO, STRE=31X, VALUE=1
The calculator builds a dummy stream 31X consisting of stream 28, the dry syngas feed to the loop, minus
the products from the loop, streams 32 and 37. The splitter SP1 operates such that the argon rate in the
purge stream 31P is equal to the argon rate in the dummy stream 31X - in other words equal to the net argon
coming in to the loop. Thus there is an exact argon balance in the loop and there will be no build up of inerts
as the flowsheet recycle solves.
Results
The synthesis loop solves with a production of 1546 lb mole/hr of 99.66% purity ammonia. The product
compositions are shown in Table 3.
The overall conversion to ammonia is 99% with a reactor conversion per pass of 27%.
The recycle stream rate is 10618 lb mole/hr giving a recycle:feed ratio of 3.2:1. The purge stream is
73 lb mol/hr which is 0.69% of the recycle flowrate.
16
Table 3
Ammonia Plant Product Streams
NH3 Product Let Down Gas Purge
H2 1.46 21.25 41.7089
N2 0.43 6.07 14.3781
A
1.36 3.26 4.9649
C1
1.95 7.52 5.9786
NH3 1540.35 31.98 6.2537
Rate (Lb mole/hr)
1545.55 70.08 73.3
Temperature

(
o
F)
78.9 78.9 85.0
Pressure (psig)
350.0 350.0 4660.0
USE OF THE MODEL IN PROCESS CONTROL
Very clear benefits of using a computer model of a Kellogg Ammonia plant were demonstrated in a paper
published in Hydrocarbon Processing, November 1980. The paper focuses on the design of control strategies
and uses a simulation model to derive the responses of the plant to different settings of various parameters.
The parameters that were examined were:
The ratio of synthesis loop recycle rate to fresh syngas
In many plants the fresh syngas feed to the synthesis loop is limited by front-end restric-
tions such as insufficient synthesis compressor power or absorber capacity.
The ratio of nitrogen to hydrogen in the syngas
At constant syngas make-up rates, ammonia production increased as H/N decreased, but
synthesis compressor loadings increased.
Synthesis loop pressure
Production of ammonia increases with increased loop pressure. The design pressure,
constrained by mechanical considerations, is the limiting factor and the purge system
should be operated the keep the operating pressure just below the design pressure.
The temperature of the synthesizer feed
Production is extremely sensitive to this parameter and an optimum temperature can be
found. The control of this parameter is critical to the profitability of the plant.
Methane content in syngas
Ammonia production decreases with increasing methane. Improved primary reformer
temperature control can alleviate this problem.
The results of these simulations have been put into practice in a number of installations and these have
consistently led to improved productivity and higher conversion efficiency.
17
APPENDIX A - Complete Ammonia Plant Flowsheet
18
WATER
CONDENSATE
SEPARATOR
SYN GAS COMPRESSORS
DRIER
WATER
WATER WATER
AMMONIA CONVERTER
PURGE
SPLITTER
RECYCLE
RECYCLE
COMPRESSOR
PRIMARY
SEPARATOR
DRY SYNGAS
REACTOR FEED
SECONDARY
SEPARATOR
NH3
LETDOWN
GAS
PRODUCT
GAS
PRIMARY REFORMER
SECONDARY
INTERCHANGER
REFORMER
WASTE
BOILER
HEAT
MEA
PLANT
CO2
SHIFT REACTORS
CONDENSATE
SEPARATOR
METHANATOR
HIGH
WASTE
REBOILER
COOLER
WATER
TEMP
SHIFT
LOW
TEMP
SHIFT
HEAT
BOILER
INTERCHANGER
COOLER
INTERCHANGER
AIR DESULFURIZER
AIR COMPRESSOR
STEAM
AIR
GAS
NATURAL
GAS
HEATER
19
APPENDIX B - PRO/II Input File
TITLE PROJ=NH3 PLANT,PROB=AMMONIA,USER=SIMSCI,DATE=JAN 1992
PRINT INPUT=SEQUENCE, STREAM=PART, RATE=M, MBAL
DIMEN ENGLISH, PRES=PSIG
CALCU TRIAL=100, RECYCLE=TEAR
TOLER STREAM=5.0e-4,-1.0,0.0001,0.01
SEQUENCE &
HTR , X-1A , RX-1 , S1 , RX-2 , RX-3 , &
H-1 , RX-4 , RX-5 , REB1 , CW-1 , D-1 , &
T-1 , SAT , RX-6 , CT1 , X-3 , X-2 , &
WHB2 , WHB1 , X1-B , CW2 , D-2 , CP-1 , &
CP-2 , CP-3 , SEP1 , &
REFC , CP-4 , X-4 , D-7 , DM2, , DM1, &
RX-7 , FDEF , D-6 , DM3, DM4, BD1 , SP1 ,&
DUM1 , CAL1 , DUM2 , CTL1 , D-8

COMPONENT DATA
LIBID 1,H2O / 2,O2 / 3,CO / 4,CO2 / 5,H2 / 6,N2 / 7,A / &
8,C1 / 9,C2 / 10,C3 / 11,NC4 / 12,NC5 / 13,NH3
THERMO DATA
METHOD SYSTEM=SRK, DENS(L)=RACKETT, SET=1, DEFAULT
METHOD SYSTEM=SRK, DENS(L)=RACKETT, SET=2
$ TEMPERATURE DEPENDENT KIJS FOR THE NH3 SEPARATORS
KVALUE
SRK(R) 5, 6, 0.0850 / & $ H2 - N2
5, 7, 0.0004 / & $ H2 - A
5, 8, -0.2079 / & $ H2 - C1
7, 8, 0.0204 / & $ A - C1
5, 13, 0.2760 / & $ H2 - NH3
6, 13, 0.3100 / & $ N2 - NH3
7, 13, 0.3383 / & $ A - NH3
8, 13, 0.1800 $ C1 - NH3
STREAM DATA
OUTPUT FORMAT=1, NSTREAM=4
FORMAT IDNO=1, NAME, PHASE, CRATE, LINE, RATE(M), MW, RATE(W), LINE, &
TEMP, PRES, ENTH, LINE, VAPOR, RATE (G,FT3/D), &
DENS (LB/FT3), LINE, LIQUID, ARATE(V,GAL/M), DENS(LB/GAL)
PROP STRM=1, TEMP=60, PRES=340, &
COMP=4,2.95 / 6,3.05 / 8,80.75 / 7.45 / 3.25 / 2.31 / 0.24,
&
RATE(G)=250000 $ 6.0 MMSCFD
PROP STRM=5, TEMP=950, PRES=334, COMP=1,1000
PROP STRM=7, TEMP=330, PRES=289, &
COMP=2,21.0 / 6,78.05 / 7,0.95 / &
RATE(G)=375000 $ GUESS OF RATE - ACTUAL RATE IS CALCULATED
PROP STRM=WAT, TEMP=100, PRES=271, COMP=1,1000 $ WATER STREAM
$ REFERENCE STREAMS FOR LOOP CALCULATIONS
PROP STRM=13, REFS=11, TEMP=400, PRES=274 $ LTS SHIFT FEED
PROP STRM=21, REFS=19, TEMP=675, PRES=254 $ METHANATOR FEED
$ RECYCLE GUESS
PROP STRM=31R, TEMP=85, PRES=4660, &
COMP=5,6000 / 6,2000 / 7,300 / 8,1000 / 13,700
PROP STRM=31X, TEMP=85, PRES=4660, &
COMP= 7,7
20
$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE
PROP STRM=38B, REFS=38, TEMP=575, PRESS=4780 $$ FEED-EFFLUENT XCHG
NAME 1, NAT GAS / 5, STEAM / 6, PR REF OUT / 7, AIR / &
8, SEC REF OUT / 11, HTS OUT / 14, LTS OUT / 17, MEA FEED / &
19, TRTD GAS / 22, METH PROD / 25, SYN GAS / 31R, RECYCLE / &
31P, PURGE / 31, PRI SEP / 36, SEC SEP / 38, RX FEED / &
39, LET DWN GAS / 40, NH3 PROD

UNIT OPS DATA
$ ----------------------------------------------------------------
$ REFORMING SECTION
$ ----------------------------------------------------------------
FLASH UID=HTR, NAME=GAS HEATER
FEED 1
PROD V=2
ADIA DP=2, DUTY=1.6, TEST=200
HX UID=X-1A
SPEC COLD, TEMP=750
FLASH UID=RX-1, NAME=DESULFURIZER
FEED 3
PROD V=4
ISOTHERMAL DP=2, TEMP=740
CALC UID=S1, NAME=STM-GAS FLOW
SEQU STREAM=1,5
PROCEDURE
R(1) = 6.0 * SMR(1) $ SET STEAM RATE
CALL SRXSTR(SMR,R(1),5) $ STEAM/GAS RATIO = 6:1
RETURN
GIBBS UID=RX-2, NAME=PRI REFORMER
FEED 4,5
PROD V=6
OPER TEMP=1360, DP=45
CONV APPROACH=-35
ELEM REACTANTS=1/3/4/5/8/9/10/11/12
GIBBS UID=RX-3, NAME=SEC REFORMER
FEED 6,7
PROD V=8
OPER ADIA, DP=5
CONV APPROACH=-35
ELEM REACTANTS=1/2/3/4/5/8/9/10/11/12
HX UID=H-1, NAME=COOL REFGAS
SPEC HOT, TEMP=675
$ ----------------------------------------------------------------
$ SHIFT AND METHANATION SECTION
$ ----------------------------------------------------------------
REACT UID=RX-4, NAME=H T SHIFT
FEED 10
PROD V=11
RXCA MODEL=SHIFT, EQUILIBRIUM
OPER ADIA, DP=2
REACT UID=RX-5, NAME=L T SHIFT
FEED 13
PROD V=14
21
RXCA MODEL=SHIFT, EQUILIBRIUM
OPER ADIA, DP=2
FLASH UID=REB1, NAME=REBOILER
FEED 14
PROD V=15
ADIA DUTY=-45, DP=4
HX UID=CW-1
SPEC HOT, TEMP=100
FLASH UID=D-1, NAME=COND SEP
FEED 16
PROD W=18, V=17
ADIA
STCALC UID=T-1, NAME=MEA COLUMN
FEED 17
OVHD V=CO2, DEWT
BTMS L=19A, TEMP=100, DP=12
FOVHD 1,3,0 / 4,4,0.9992 / 5,13,0
FLASH UID=SAT, NAME=H2O SAT
FEED 19A, WAT
PROD V=19, W=XS
ISOTHERMAL TEMP=100
REACT UID=RX-6, NAME=METHANATOR
FEED 21
PROD V=22
RXCA MODEL=METHAN, EQUILIBRIUM
OPER ADIA, DP=2
$ CONTROL AIR TO HAVE STOICHIOMETRIC H2 TO N2 RATIO (3:1)
CONTROL UID=CT1
SPEC STRM=22, COMP=5, RATE(M), RATIO, COMP=6, RATE(M), VALUE=3.0
VARY STRM=7, RATE
$ ----------------------------------------------------------------
$ NOW COMPLETE HEAT EXCHANGER CALCULATIONS
$ ----------------------------------------------------------------
HX UID=X-3
CONFIG U=90, AREA=1025
HX UID=X-2
COLD FEED=20, V=21X, DP=2
SPEC COLD, TEMP=675
HX UID=WHB2
SPEC HOT, TEMP=400
HX UID=WHB1
DEFI DUTY, AS, HX=H-1, DUTY, MINUS, HX=X-1A, DUTY
HX UID=X1-B
DEFI DUTY, AS, HX=X-1A, DUTY, MULTIPLY, -1.0
FLASH UID=CW2
FEED 23
PROD M=24
ISO TEMP=100
22
FLASH UID=D-2, NAME=COND SEP
FEED 24
PROD W=24W, V=25
ADIA

$ ----------------------------------------------------------------
$ SYNTHESIS LOOP COMPRESSORS
$ ----------------------------------------------------------------
COMP UID=CP-1, NAME=1ST STAGE
FEED 25
PROD V=26, W=WA1
OPER POUT=700, EFF=95
COOL TOUT=95, DP=5
COMP UID=CP-2, NAME=2ND STAGE
FEED 26
PROD V=27, W=WA2
COOL TOUT=95, DP=5
COMP UID=CP-3, NAME=3RD STAGE
FEED 27
PROD V=28A
COOL TOUT=95, DP=5

STCA UID=SEP1, NAME=WATER REMOVL
FEED 28A,1.0
OVHD TEMP=95 L=WA3
BTMS TEMP=95 V=28
FOVHD 1,1,1/2,13,0

$ ----------------------------------------------------------------
$ START OF SYNTHESIS LOOP
$ ----------------------------------------------------------------
CALC UID=REFC NAME=REF_RATE
SEQUENCE STREAM=31R
DEFINE P(1) AS STREAM=31R, RATE(M)
PROCEDURE
IF (R(1) .GT. 0) GOTO 100
R(1) = P(1)
100 CALL SRXSTR(SMR,R(1),31R)
RETURN

COMP UID=CP-4, NAME=RECYCLE COMP
FEED 31R
PROD V=33
OPER POUT=4950, EFF=95 , WTOL=0.00001
HX UID=X-4
COLD FEED=36A, V=38, DP=50
HOT FEED=28,33, M=34, DP=50
OPER CTEM=85
FLASH UID=D-7, NAME=SEC SEP
FEED 34
PROD L=37, V=36
ISOTHERMAL TEMP=40, PRES=4840
METH SET=2
23
FLASH UID=DM1
FEED 37
PROD L=37A
ISOT TEMP=40
FLASH UID=DM2
FEED 36
PROD V=36A
ISOT TEMP=40
$ SIMULATE THE REACTOR WITH AN EQUILIBRIUM MODEL
REAC UID=RX-7, NAME=CONVERTER
FEED 38B
PROD V=29A
OPER PHASE=V, ADIA, DP=30, TEMP=900 $ TEMP ESTIMATE
RXCA EQUIL, REFTEMP=800
STOI 5,-3 / 6,-1 / 13,2 $ 3H2 + N2 = 2NH3
BASE COMP=6, HEAT=-45.108
EQUI -32.975, 22930.4 $ LN(K) = A + B / DEG R
APPR DT=20
HX UID=FDEF, NAME=RX EFFL EXCH
HOT FEED=29A, V=29, DP=30
COLD FEED=38, V=38B, DP=30
OPER HTEM=430
FLASH UID=D-6, NAME=PRI SEP
FEED 29
PROD V=31, L=32
ISOTHERMAL TEMP=85, PRES=4660
METH SET=2
FLASH UID=DM3
FEED 31
PROD V=31A
ISOT TEMP=85
FLASH UID=DM4
FEED 32
PROD L=32A
ISOT TEMP=85
CALCULATOR UID=BD1, NAME=PURGE RATE
DEFINE P(1) AS STREAM=28,COMP=7,RATE
SEQUENCE STREAM=31X
PROCEDURE
V(1) = P(1) - P(2) - P(3)
IF (V(1) .LE. 0.001) V(1) = 0.001
CALL SRXSTR(SMR, V(1), 31X)
RETURN
SPLIT UID=SP1, NAME=PURGE
FEED 31A
PROD V=31P, V=31RA
SPEC STRE=31P, COMP=7, RATE, RATIO, STRE=31X, VALUE=1 , RTOL=0.00001
$ PURGE
FLASH UID=DUM1
FEED 31RA
PROD M=31RB
ADIA
CALC UID=CAL1 NAME=SET_RATE
24
SEQUENCE STREAM=31RB
DEFINE P(1) AS CALC=REFC, R(1)
PROCEDURE
CALL SRXSTR(SMR,P(1),31RB)
RETURN
FLASH UID=DUM2
FEED 31RB
PROD M=31R
ADIA
$ END RECYCLE LOOP

CONTR UID=CTL1
SPEC STRE=38, COMP=7,8, FRAC, VALUE=0.12,ATOL=1.0E-3
$ 12% INERTS IN RX FEED
VARY CALC=REFC, R(1), EST2=10500,STEPSIZE=3.0E-4
$ ADJUST RECYCLE
CPARA ITER=200, IPRINT

FLASH UID=D-8, NAME=LETDOWN
FEED 32A,37A
PROD L=40, V=39
ADIA PRES=350
RECYCLE DATA
LOOP NO=1, START=X-4, END=DM2,TOLE=0.000002
LOOP NO=2, START=CP-4, END=DUM2 , TOLE=0.0015
ACCEL TYPE=WEGS, STREAM=36A,31R
$ CASE STUDY TO CHANGE INERT MOLE % IN RECYCLE TO 14%
CASESTUDY OLDCASE=BASECASE,NEWCASE=14PT
CHANGE CONTROLLER=CTL1,SPEC,VALUE=0.14

25
APPENDIX C - PRO/II
Output
The following pages show selected parts of the output file from the ammonia plant simulation. A complete
copy of the output can be obtained from SimSci.
The order of the output is shown below:
Plant material balance
Compressor CP-3
Reactors
RX-4
RX-5
RX-6
RX-7
RX-2
RX-3
Heat exchanger X-3
Stream calculator T-1 (MEA Column)
User defined output for all streams in the simulation
26
SIMULATION SCIENCES INC. R PAGE P-1
PROJECT NH3 PLANT PRO/II VERSION 3.13 386/EM
PROBLEM AMMONIA OUTPUT SIMSCI
BASE CASE PLANT MATERIAL BALANCE MAR 1992
==============================================================================

FEED STREAMS: 1 5 7
WAT 13 21
8 19A 28

PRODUCT STREAMS: 17 31P 39
40 18 XS
21X 13X 10X
24W WA1 WA2
28A

OVERALL PLANT MOLAR BALANCE

-------------------------------- LB-MOL/HR ----------------------------- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
-------------------------------------------- -------------------- ----------------- ----------------- ----------------- ----------------
1 H2O 11121.489 -1072.243 10049.246 0.000 0.00
2 O2 211.874 -211.874 0.000 0.000 0.00
3 CO 408.041 0.000 408.041 0.000 0.00
4 CO2 1164.029 747.995 1912.024 0.000 0.00
5 H2 11784.837 57.594 11849.259 -6.828 -0.06
6 N2 4845.337 -788.920 4058.665 -2.248 -0.06
7 A 57.509 0.000 57.509 0.000 0.00
8 C1 589.934 -516.825 73.404 -0.295 -0.40
9 C2 49.080 -49.080 0.000 0.000 0.00
10 C3 21.411 -21.411 0.000 0.000 0.00
11 NC4 15.218 -15.218 0.000 0.000 0.00
12 NC5 1.581 -1.581 0.000 0.000 0.00
13 NH3 0.000 1577.793 1578.581 -0.788 -0.05

TOTAL 30270.340 -293.769 29986.727 -10.156 -0.03

OVERALL PLANT MASS BALANCE

-------------------------------- LB-MOL/HR ----------------------------- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
-------------------------------------------- -------------------- ----------------- ----------------- ----------------- ----------------
1 H2O 200353.63 -19316.46 181037.16 0.00 0.00
2 O2 6779.74 -6779.74 0.00 0.00 0.00
3 CO 11429.63 0.00 11429.63 0.00 0.00
4 CO2 51228.94 32919.26 84148.20 0.00 0.00
5 H2 23758.23 116.11 23888.11 -13.76 -0.06
6 N2 135732.44 -22100.02 113695.38 -62.96 -0.06
7 A 2297.35 0.00 2297.35 0.00 0.00
8 C1 9464.32 -8291.43 1177.63 -4.74 -0.40
9 C2 1475.83 -1475.83 0.00 0.00 0.00
10 C3 944.15 -944.15 0.00 0.00 0.00
11 NC4 884.53 -884.53 0.00 0.00 0.00
12 NC5 114.08 -114.08 0.00 0.00 0.00
13 NH3 0.00 26871.40 26884.81 -13.42 -0.05

TOTAL 444462.84 0.53 444558.22 -94.85 -0.02

27
BASE CASE COMPRESSOR SUMMARY MAR 1992
==============================================================================

UNIT 24, CP-1, 1ST STAGE

FEEDS 25

PRODUCTS VAPOR 26
WATER WA1

OPERATING CONDITIONS

INLET ISENTROPIC OUTLET
---------------- -------------------- --------------------
TEMPERATURE, F 100.00 283.71 293.34
PRESSURE, PSIG 250.00 700.00 700.00
ENTHALPY, MM BTU/HR -5.9524 -1.7168 -1.4938
ENTROPY, BTU/LB-MOL-F 31.0928 31.0928 31.1840
CP, BTU/LB-MOL-F 6.9731 7.0889
CV, BTU/LB-MOL-F 4.9419 5.0481
CP/(CP-R) 1.3982 1.3892
CP/CV 1.4110 1.4043
MOLE PERCENT VAPOR 100.0000 100.0000 100.0000
MOLE PERCENT LIQUID 0.0000 0.0000 0.0000
MOLE PERCENT H/C LIQUID 0.0000 0.0000 0.0000
MOLE PERCENT WATER 0.0000 0.0000 0.0000
ACT VAP RATE, M FT3/MIN 1.2463
ADIABATIC EFF, PERCENT 95.0000
POLYTROPIC EFF, PERCENT 95.6409
ISENTROPIC COEFFICIENT, K 1.3993
POLYTROPIC COEFFICIENT, N 1.4253
HEAD, FT
ADIABATIC 116241.85
POLYTROPIC 117026.06
ACTUAL 122359.84
WORK, HP
THEORETICAL 1664.67
POLYTROPIC 1675.90
ACTUAL 1752.28
AFTERCOOLER
DUTY, MM BTU/HR -4.73
TEMPERATURE, F 95.00
PRESSURE, PSIG 695.00

NOTE: POLYTROPIC AND ISENTROPIC COEFFICIENTS
CALCULATED FROM HEAD EQUATION
28
BASE CASE REACTOR SUMMARY MAR 1992
==============================================================================

UNIT 8, RX-4, H T SHIFT


REACTOR TYPE ADIABATIC SHIFT CONVERTER
DUTY, MM BTU/HR -1.49948E-04
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -5.2517

INLET OUTLET
-------------------- --------------------
FEED 10
VAPOR PRODUCT 11
TEMPERATURE, F 675.00 758.58
PRESSURE, PSIG 280.0000 278.0000

REACTION DATA

-------------------- RATES, LB-MOL/HR -------------------- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
----------------------------------------- --------------------- -------------------- --------------------- --------------------
1 H2O 3220.2144 -296.8296 2923.3848 0.0922
2 O2 1.77822E-08 0.0000 1.77822E-08
3 CO 348.6051 -296.8295 51.7756 0.8515
4 CO2 423.2684 296.8296 720.0980
5 H2 2093.5256 296.8296 2390.3552
6 N2 807.5563 0.0000 807.5563
7 A 9.5848 0.0000 9.5848
8 C1 10.7034 0.0000 10.7034
9 C2 6.41714E-07 0.0000 6.41714E-07
10 C3 1.29036E-08 0.0000 1.29036E-08
11 NC4 9.78961E-09 0.0000 9.78961E-09
12 NC5 7.88639E-09 0.0000 7.88639E-09

TOTAL 6913.4580 0.0000 6913.4580

LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
-------------------------------------------- ---------------- -------------------- -------------------------
3 CO SHIFT 296.8295 0.8515

(1) FRACTION CONVERTED BASED ON AMOUNT IN FEED
29
==============================================================================

UNIT 8, RX-4, H T SHIFT (CONT)

REACTOR MASS BALANCE

------------------------ RATES, LB/HR --------------------- FRACTION
----------------------------------------- --------------------- --------------------- --------------------- -----------------
1 H2O 58012.1563 -5347.3789 52664.7773 0.0922
2 O2 5.69011E-07 0.0000 5.69011E-07
3 CO 9764.7783 -8314.4922 1450.2860 0.8515
4 CO2 18628.0430 13063.4707 31691.5137
5 H2 4220.5479 598.4082 4818.9561
6 N2 22622.0742 0.0000 22622.0742
7 A 382.8918 0.0000 382.8918
8 C1 171.7144 0.0000 171.7144
9 C2 1.92963E-05 0.0000 1.92963E-05
10 C3 5.69011E-07 0.0000 5.69011E-07
11 NC4 5.69011E-07 0.0000 5.69011E-07
12 NC5 5.69011E-07 0.0000 5.69011E-07

TOTAL 113802.2110 0.0000 113802.2110
30
==============================================================================

UNIT 9, RX-5, L T SHIFT


REACTOR TYPE ADIABATIC SHIFT CONVERTER
DUTY, MM BTU/HR 6.16452E-05

INLET OUTLET
-------------------- --------------------
FEED 13
VAPOR PRODUCT 14
PRESSURE, PSIG 274.0000 272.0000

REACTION DATA

--------------------- RATES, LB-MOL/HR ----------------- FRACTION
---------------------------------------- --------------------- -------------------- ------------------------ ---------------------
1 H2O 2923.3848 -47.9456 2875.4392 0.0164
2 O2 1.77822E-08 0.0000 1.77822E-08
3 CO 51.7756 -47.9456 3.8300 0.9260
4 CO2 720.0980 47.9456 768.0436
5 H2 2390.3552 47.9456 2438.3008
6 N2 807.5563 0.0000 807.5563
7 A 9.5848 0.0000 9.5848
8 C1 10.7034 0.0000 10.7034
9 C2 6.41714E-07 0.0000 6.41714E-07
10 C3 1.29036E-08 0.0000 1.29036E-08
11 NC4 9.78961E-09 0.0000 9.78961E-09
12 NC5 7.88639E-09 0.0000 7.88639E-09

TOTAL 6913.4580 0.0000 6913.4580

LB-MOL/HR FRACTION
------------------------------------- -------------------- --------------------- ------------------------
3 CO SHIFT 47.9456 0.9260

31
==============================================================================

UNIT 9, RX-5, L T SHIFT (CONT)


---------------------------------------- --------------------- -------------------- ------------------------ ---------------------
1 H2O 52664.7773 -863.7422 51801.0352 0.0164
2 O2 5.69011E-07 0.0000 5.69011E-07
3 CO 1450.2860 -1343.0044 107.2816 0.9260
4 CO2 31691.5137 2110.0879 33801.6016
5 H2 4818.9561 96.6582 4915.6143
6 N2 22622.0742 0.0000 22622.0742
7 A 382.8918 0.0000 382.8918
8 C1 171.7144 0.0000 171.7144
9 C2 1.92963E-05 0.0000 1.92963E-05
10 C3 5.69011E-07 0.0000 5.69011E-07
11 NC4 5.69011E-07 0.0000 5.69011E-07
12 NC5 5.69011E-07 0.0000 5.69011E-07

TOTAL 113802.2110 0.0000 113802.2110
32
==============================================================================

UNIT 15, RX-6, METHANATOR


REACTOR TYPE ADIABATIC METHANATOR

INLET OUTLET
-------------------- --------------------
FEED 21
VAPOR PRODUCT 22
PRESSURE, PSIG 254.0000 252.0000

REACTION DATA
---------------------------------------- --------------------- -------------------- ------------------------ ---------------------
1 H2O 11.5273 5.0588 16.5861
2 O2 1.77822E-08 0.0000 1.77822E-08
3 CO 3.8300 -3.8300 4.61974E-07 1.0000
4 CO2 0.6144 -0.6144 0.0000 1.0000
5 H2 2438.3010 -13.9478 2424.3533 5.72028E-03
6 N2 807.5562 0.0000 807.5562
7 A 9.5848 0.0000 9.5848
8 C1 10.7034 4.4444 15.1478
9 C2 6.41714E-07 0.0000 6.41714E-07
10 C3 1.29036E-08 0.0000 1.29036E-08
11 NC4 9.78961E-09 0.0000 9.78961E-09
12 NC5 7.88639E-09 0.0000 7.88639E-09

TOTAL 3282.1172 -8.8889 3273.2283

LB-MOL/HR FRACTION
------------------------------------- --------------------- -------------------- ------------------------
3 CO METHANATION 4.4444 1.1604
3 CO SHIFT 1.5903 0.4152

33
==============================================================================

UNIT 15, RX-6, METHANATOR (CONT)


---------------------------------------- --------------------- -------------------- ------------------------ ---------------------
1 H2O 207.6640 91.1342 298.7982
2 O2 5.69011E-07 0.0000 5.69011E-07
3 CO 107.2816 -107.2816 1.29403E-05 1.0000
4 CO2 27.0402 -27.0402 0.0000 1.0000
5 H2 4915.6152 -28.1187 4887.4966 5.72027E-03
6 N2 22622.0723 0.0000 22622.0723
7 A 382.8918 0.0000 382.8918
8 C1 171.7144 71.3013 243.0157
9 C2 1.92963E-05 0.0000 1.92963E-05
10 C3 5.69011E-07 0.0000 5.69011E-07
11 NC4 5.69011E-07 0.0000 5.69011E-07
12 NC5 5.69011E-07 0.0000 5.69011E-07
TOTAL 28434.2813 0.0000 28434.2754
34
==============================================================================

UNIT 34, RX-7, CONVERTER


REACTOR TYPE ADIABATIC REACTOR

INLET OUTLET
---------------------------- -----------------------------
FEED 38B
VAPOR PRODUCT 29A
PRESSURE, PSIG 4759.9995 4729.9995

REACTION DATA

------------------------ RATES, LB-MOL/HR ------------------------ FRACTION
------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
--------------------
2 O2 6.29842E-07 0.0000 6.29842E-07
3 CO 3.25999E-05 0.0000 3.25999E-05
5 H2 8465.1299 -2366.7593 6098.3706 0.2796
6 N2 2890.1084 -788.9202 2101.1882 0.2730
7 A 727.6616 0.0000 727.6615
8 C1 879.5477 0.0000 879.5477
9 C2 2.47163E-05 0.0000 2.47163E-05
10 C3 4.81262E-07 0.0000 4.81262E-07
11 NC4 3.61721E-07 0.0000 3.61721E-07
12 NC5 3.25164E-07 0.0000 3.25164E-07
13 NH3 528.3845 1577.7932 2106.1777

TOTAL 13490.8320 -1577.8857 11912.9463

LB-MOL/HR FRACTION
------------------------------------------------ ------------------------ ------------------------ --------------------
------------
6 N2 1 788.9198 0.2730



--------------------- RATES, LB/HR ------------------------ FRACTION
------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
--------------------
2 O2 2.01543E-05 0.0000 2.01543E-05
3 CO 9.13156E-04 0.0000 9.13156E-04
5 H2 17065.7012 -4771.3857 12294.3154 0.2796
6 N2 80960.6094 -22100.0195 58860.5898 0.2730
7 A 29068.6211 0.0000 29068.6211
35
==============================================================================

UNIT 34, RX-7, CONVERTER (CONT)

---------------------------- RATES, LB/HR ---------------------------- FRACTION
------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
----------------
8 C1 14110.5830 0.0000 14110.5820
9 C2 7.43220E-04 0.0000 7.43220E-04
10 C3 2.12222E-05 0.0000 2.12222E-05
11 NC4 2.10247E-05 0.0000 2.10247E-05
12 NC5 2.34609E-05 0.0000 2.34609E-05
13 NH3 8998.9170 26871.3984 35870.3164

TOTAL 150204.4380 0.0000 150204.4220
36
BASE CASE GIBBS REACTOR SUMMARY MAR 1992
==============================================================================

UNIT 5, RX-2, PRI REFORMER


REACTOR TYPE ISOTHERMAL
DUTY, MM BTU/HR 65.7106
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR 37.5384
MINIMUM DIMENSIONLESS GIBBS FREE ENERGY (G/RT) -12.1943

INLET OUTLET
---------------------------- ----------------------------
FEED 4
5
VAPOR PRODUCT 6
PRESSURE, PSIG 334.0000 289.0000

REACTION DATA

------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
----------------
1 H2O 3952.7412 -907.2722 3045.4690 0.2295
3 CO 0.0000 171.4357 171.4357
4 CO2 19.4343 367.9181 387.3524
5 H2 0.0000 1842.1045 1842.1045
6 N2 20.0931 0.0000 20.0931
8 C1 531.9731 -308.1938 223.7794 0.5793
9 C2 49.0799 -49.0751 4.735E-03 0.9999
10 C3 21.4107 -21.4107 3.199E-07 1.0000
11 NC4 15.2181 -15.2181 7.276E-09 1.0000
12 NC5 1.5811 -1.5811 5.861E-09 1.0000

TOTAL 4611.5313 1078.7075 5690.2388


------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
----------------
1 H2O 71208.6250 -16344.5039 54864.1211 0.2295
3 CO 0.0000 4802.0845 4802.0845
4 CO2 855.3041 16192.0771 17047.3809
5 H2 0.0000 3713.6829 3713.6829
6 N2 562.8681 0.0000 562.8680
8 C1 8534.4453 -4944.3535 3590.0920 0.5793
9 C2 1475.8319 -1475.6895 0.1424 0.9999
37
==============================================================================

UNIT 5, RX-2, PRI REFORMER (CONT)

------------------------------------------------ ------------------------ ---------------------------- ------------------------ ------------
----------------
10 C3 944.1470 -944.1470 1.41070E-05 1.0000
11 NC4 884.5342 -884.5342 4.22899E-07 1.0000
12 NC5 114.0777 -114.0777 4.22899E-07 1.0000

TOTAL 84579.8281 0.5391 84580.3672
38
==============================================================================

UNIT 6, RX-3, SEC REFORMER


REACTOR TYPE ADIABATIC
DUTY, MM BTU/HR 4.678E-03
MINIMUM DIMENSIONLESS GIBBS FREE ENERGY (G/RT) -12.0010

INLET OUTLET
---------------------------- ------------------------
FEED 6
7
VAPOR PRODUCT 8
PRESSURE, PSIG 289.0000 284.0000

REACTION DATA

------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
--------------------
1 H2O 3045.4690 174.7454 3220.2144
2 O2 211.8735 -211.8735 1.778E-08 1.0000
3 CO 171.4357 177.1695 348.6051
4 CO2 387.3524 35.9160 423.2684
5 H2 1842.1046 251.4210 2093.5256
6 N2 807.5563 0.0000 807.5563
7 A 9.5848 0.0000 9.5848
8 C1 223.7793 -213.0760 10.7034 0.9522
9 C2 4.735E-03 -4.735E-03 6.417E-07 0.9999
10 C3 3.199E-07 -3.070E-07 1.290E-08 0.9597
11 NC4 7.276E-09 2.514E-09 9.790E-09
12 NC5 5.861E-09 2.025E-09 7.886E-09

TOTAL 6699.1602 214.2979 6913.4580


------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
----------------
1 H2O 54864.1211 3148.0352 58012.1563
2 O2 6779.7397 -6779.7397 5.69011E-07 1.0000
3 CO 4802.0840 4962.6943 9764.7783
4 CO2 17047.3809 1580.6621 18628.0430
5 H2 3713.6829 506.8650 4220.5479
6 N2 22622.0742 0.0000 22622.0742
7 A 382.8917 0.0000 382.8918
8 C1 3590.0918 -3418.3774 171.7144 0.9522
9 C2 0.1424 -0.1424 1.92963E-05 0.9999
==============================================================================
39

UNIT 6, RX-3, SEC REFORMER (CONT)

------------------------------------------------ ------------------------ ---------------------------- ---------------------------- --------
----------------
10 C3 1.41070E-05 -1.35380E-05 5.69011E-07 0.9597
11 NC4 4.22899E-07 1.46112E-07 5.69011E-07
12 NC5 4.22899E-07 1.46112E-07 5.69011E-07

TOTAL 113802.2030 0.0000 113802.2110
40
BASE CASE HEAT EXCHANGER SUMMARY MAR 1992
==============================================================================

UNIT 17, X-3


DUTY, MM BTU/HR 10.961
LMTD, F 118.819
F FACTOR (FT) 1.000
MTD, F 118.819
U*A, BTU/HR-F 92250.070
U, BTU/HR-FT2-F 90.000
AREA, FT2 1025.000

HOT SIDE CONDITIONS INLET OUTLET
---------------------------- ----------------------------
FEED 22
VAPOR PRODUCT 23
VAPOR, LB-MOL/HR 3273.228 3273.228
M LB/HR 28.434 28.434
CP, BTU/LB-F 0.820 0.809
TOTAL, LB-MOL/HR 3273.228 3273.228
M LB/HR 28.434 28.434
CONDENSATION, LB-MOL/HR 0.000
PRESSURE, PSIG 252.000 250.000

COLD SIDE CONDITIONS INLET OUTLET
---------------------------- ----------------------------
FEED 19
VAPOR PRODUCT 20
VAPOR, LB-MOL/HR 3282.117 3282.117
M LB/HR 28.434 28.434
CP, BTU/LB-F 0.805 0.818
TOTAL, LB-MOL/HR 3282.117 3282.117
M LB/HR 28.434 28.434
CONDENSATION, LB-MOL/HR 0.000
PRESSURE, PSIG 254.000 252.000
41
BASE CASE STREAM CALCULATOR SUMMARY MAR 1992
==============================================================================

UNIT 13, T-1, MEA COLUMN

NET DUTY, MM BTU/HR -0.99927

FEEDS STREAM ID FACTOR

17 1.000

TOTAL RATE, LB-MOL/HR 4051.640
MOLECULAR WEIGHT 15.3633
MOL FRAC VAPOR 1.00000
MOL FRAC TOTAL LIQUID 0.00000
MOL FRAC H/C LIQUID 0.00000
MOL FRAC WATER 0.00000
ENTHALPY, MM BTU/HR -1.49300

PRODUCTS OVERHEAD BOTTOMS ALTERNATE
PRODUCT

MIXED 19A
VAPOR CO2

TOTAL RATE, LB-MOL/HR 767.429 3284.211 N/A
TEMPERATURE, F -4.876 100.000 N/A
PRESSURE, PSIG 266.000 254.000 N/A
PRESSURE DROP, PSI 0.000 12.000 N/A
ENTHALPY, MM BTU/HR 3.49010 -5.98237 N/A
42
BASE CASE USER DEFINED PROPERTIES SET JAN 1992
==============================================================================

STREAM ID CO2 WAT WA1 WA2
NAME
PHASE DRY VAPOR WATER WATER WATER

NAME
PHASE DRY VAPOR WATER WATER WATER
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 999.9999 7.9296 2.3755
2 O2 0.0000 0.0000 0.0000 0.0000
3 CO 0.0000 0.0000 0.0000 0.0000
4 CO2 767.4293 0.0000 0.0000 0.0000
5 H2 0.0000 0.0000 0.0000 0.0000
6 N2 0.0000 0.0000 0.0000 0.0000
7 A 0.0000 0.0000 0.0000 0.0000
8 C1 0.0000 0.0000 0.0000 0.0000
9 C2 0.0000 0.0000 0.0000 0.0000
10 C3 0.0000 0.0000 0.0000 0.0000
11 NC4 0.0000 0.0000 0.0000 0.0000
12 NC5 0.0000 0.0000 0.0000 0.0000
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 767.4293 999.9999 7.9296 2.3755
MOLECULAR WEIGHT 44.0100 18.0150 18.0150 18.0150
RATE, LB/HR 33774.5625 18014.9980 142.8509 42.7943

TEMPERATURE, F -4.88 100.00 95.00 95.00
PRESSURE, PSIG 266.000 271.000 695.000 1945.000
ENTHALPY, M BTU/LB-MOL 4.5478 1.2387 1.1699 1.2290

*** VAPOR PHASE ***
RATE, M FT3/DAY 6989.4463 N/A N/A N/A
DENSITY, LB/M FT3 3118.8838 N/A N/A N/A

*** LIQUID PHASE ***
ACT.RATE, GAL/MIN N/A 36.2343 0.2870 0.0860
DENSITY, LB/GAL N/A 8.2864 8.2944 8.2944
43
BASE CASE USER DEFINED PROPERTIES SET JAN 1992
==============================================================================

STREAM ID WA3 XS 1 2
NAME NAT GAS
PHASE WATER WATER DRY VAPOR DRY VAPOR

NAME NAT GAS
PHASE WATER WATER DRY VAPOR DRY VAPOR
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 1.3472 1002.0942 0.0000 0.0000
2 O2 0.0000 0.0000 0.0000 0.0000
3 CO 0.0000 0.0000 0.0000 0.0000
4 CO2 0.0000 0.0000 19.4343 19.4343
5 H2 0.0000 0.0000 0.0000 0.0000
6 N2 0.0000 0.0000 20.0931 20.0931
7 A 0.0000 0.0000 0.0000 0.0000
8 C1 0.0000 0.0000 531.9731 531.9731
9 C2 0.0000 0.0000 49.0799 49.0799
10 C3 0.0000 0.0000 21.4107 21.4107
11 NC4 0.0000 0.0000 15.2181 15.2181
12 NC5 0.0000 0.0000 1.5811 1.5811
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 1.3472 1002.0942 658.7902 658.7902
RATE, LB/HR 24.2690 18052.7266 13371.2080 13371.2080

TEMPERATURE, F 95.00 100.00 60.00 282.86
PRESSURE, PSIG 4955.000 254.000 340.000 338.000

*** VAPOR PHASE ***
RATE, M FT3/DAY N/A N/A 6000.0039 6000.0039
DENSITY, LB/M FT3 N/A N/A 1388.8752 910.5820

ACT.RATE, GAL/MIN 0.0488 36.3102 N/A N/A
DENSITY, LB/GAL 8.2944 8.2864 N/A N/A

44
BASE CASE USER DEFINED PROPERTIES SET MAR 1992
==============================================================================

STREAM ID 3 4 5 6
NAME STEAM PR REF OUT
PHASE DRY VAPOR DRY VAPOR WATER VAPOR WET VAPOR

NAME STEAM PR REF OUT
PHASE DRY VAPOR DRY VAPOR WATER VAPOR WET VAPOR
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 0.0000 3952.7412 3045.4690
2 O2 0.0000 0.0000 0.0000 0.0000
3 CO 0.0000 0.0000 0.0000 171.4357
4 CO2 19.4343 19.4343 0.0000 387.3524
5 H2 0.0000 0.0000 0.0000 1842.1046
6 N2 20.0931 20.0931 0.0000 20.0931
7 A 0.0000 0.0000 0.0000 0.0000
8 C1 531.9731 531.9731 0.0000 223.7794
9 C2 49.0799 49.0799 0.0000 4.7355E-03
10 C3 21.4107 21.4107 0.0000 3.1991E-07
11 NC4 15.2181 15.2181 0.0000 7.2758E-09
12 NC5 1.5811 1.5811 0.0000 5.8613E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 658.7902 658.7902 3952.7412 5690.2388
RATE, LB/HR 13371.2080 13371.2080 71208.6328 84580.3750

TEMPERATURE, F 750.00 740.00 950.00 1360.00
PRESSURE, PSIG 336.000 334.000 334.000 289.000

*** VAPOR PHASE ***
RATE, M FT3/DAY 6000.0039 6000.0039 36000.0234 51824.4727
DENSITY, LB/M FT3 544.6247 546.1139 422.8545 231.2722

ACT.RATE, GAL/MIN N/A N/A N/A N/A
DENSITY, LB/GAL N/A N/A N/A N/A
45
==============================================================================

STREAM ID 7 8 9 10
NAME AIR SEC REF OUT
PHASE DRY VAPOR WET VAPOR WET VAPOR WET VAPOR

NAME AIR SEC REF OUT
PHASE DRY VAPOR WET VAPOR WET VAPOR WET VAPOR
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 3220.2144 3220.2144 3220.2144
2 O2 211.8735 1.7782E-08 1.7782E-08 1.7782E-08
3 CO 0.0000 348.6051 348.6051 348.6051
4 CO2 0.0000 423.2684 423.2684 423.2684
5 H2 0.0000 2093.5256 2093.5256 2093.5256
6 N2 787.4632 807.5563 807.5563 807.5563
7 A 9.5848 9.5848 9.5848 9.5848
8 C1 0.0000 10.7034 10.7034 10.7034
9 C2 0.0000 6.4171E-07 6.4171E-07 6.4171E-07
10 C3 0.0000 1.2904E-08 1.2904E-08 1.2904E-08
11 NC4 0.0000 9.7896E-09 9.7896E-09 9.7896E-09
12 NC5 0.0000 7.8864E-09 7.8864E-09 7.8864E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 1008.9215 6913.4580 6913.4580 6913.4580
RATE, LB/HR 29221.8379 113802.2030 113802.2030 113802.2030

TEMPERATURE, F 330.00 1634.44 747.58 675.00
PRESSURE, PSIG 289.000 284.000 282.000 280.000
ENTHALPY, M BTU/LB-MOL -0.2170 21.5924 13.8234 13.2206

*** VAPOR PHASE ***
RATE, M FT3/DAY 9188.8633 62965.0781 62965.0781 62965.0781
DENSITY, LB/M FT3 1029.2030 218.6197 378.4246 400.5077

46
==============================================================================

STREAM ID 10X 11 12 13
NAME HTS OUT
PHASE WET VAPOR WET VAPOR WET VAPOR WET VAPOR

NAME HTS OUT
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 3220.2144 2923.3848 2923.3848 2923.3848
2 O2 1.7782E-08 1.7782E-08 1.7782E-08 1.7782E-08
3 CO 348.6051 51.7756 51.7756 51.7756
4 CO2 423.2684 720.0980 720.0980 720.0980
5 H2 2093.5256 2390.3552 2390.3552 2390.3552
6 N2 807.5563 807.5563 807.5563 807.5563
7 A 9.5848 9.5848 9.5848 9.5848
8 C1 10.7034 10.7034 10.7034 10.7034
9 C2 6.4171E-07 6.4171E-07 6.4171E-07 6.4171E-07
10 C3 1.2904E-08 1.2904E-08 1.2904E-08 1.2904E-08
11 NC4 9.7896E-09 9.7896E-09 9.7896E-09 9.7896E-09
12 NC5 7.8864E-09 7.8864E-09 7.8864E-09 7.8864E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 6913.4580 6913.4580 6913.4580 6913.4580
RATE, LB/HR 113802.2030 113802.2030 113802.2030 113802.2030

TEMPERATURE, F 675.02 758.58 718.17 400.00
PRESSURE, PSIG 281.000 278.000 276.000 274.000

*** VAPOR PHASE ***
RATE, M FT3/DAY 62965.0781 62965.0781 62965.0781 62965.0781
DENSITY, LB/M FT3 401.8654 369.4207 379.7067 523.8746

47
==============================================================================

STREAM ID 13X 14 15 16
NAME LTS OUT
PHASE WET VAPOR WET VAPOR MIXED MIXED

NAME LTS OUT
PHASE WET VAPOR WET VAPOR MIXED MIXED
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 2923.3848 2875.4390 2875.4390 2875.4390
2 O2 1.7782E-08 1.7782E-08 1.7782E-08 1.7782E-08
3 CO 51.7756 3.8300 3.8300 3.8300
4 CO2 720.0980 768.0436 768.0436 768.0436
5 H2 2390.3552 2438.3008 2438.3008 2438.3008
6 N2 807.5563 807.5563 807.5563 807.5563
7 A 9.5848 9.5848 9.5848 9.5848
8 C1 10.7034 10.7034 10.7034 10.7034
9 C2 6.4171E-07 6.4171E-07 6.4171E-07 6.4171E-07
10 C3 1.2904E-08 1.2904E-08 1.2904E-08 1.2904E-08
11 NC4 9.7896E-09 9.7896E-09 9.7896E-09 9.7896E-09
12 NC5 7.8864E-09 7.8864E-09 7.8864E-09 7.8864E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 6913.4580 6913.4580 6913.4580 6913.4580
RATE, LB/HR 113802.2030 113802.2030 113802.2030 113802.2030

TEMPERATURE, F 400.00 413.61 267.51 100.00
PRESSURE, PSIG 274.000 272.000 268.000 266.000

*** VAPOR PHASE ***
RATE, M FT3/DAY 62965.0781 62965.0781 42818.0508 36900.7617
DENSITY, LB/M FT3 523.8745 511.0703 570.2701 718.6578

ACT.RATE, GAL/MIN N/A N/A 85.2055 103.6961
DENSITY, LB/GAL N/A N/A 7.7951 8.2864
48
==============================================================================

STREAM ID 17 18 19 19A
NAME MEA FEED TRTD GAS
PHASE WET VAPOR WATER WET VAPOR MIXED

NAME MEA FEED TRTD GAS
PHASE WET VAPOR WATER WET VAPOR MIXED
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 13.6215 2861.8179 11.5273 13.6215
2 O2 1.7782E-08 0.0000 1.7782E-08 1.7782E-08
3 CO 3.8300 0.0000 3.8300 3.8300
4 CO2 768.0436 0.0000 0.6144 0.6144
5 H2 2438.3010 0.0000 2438.3010 2438.3010
6 N2 807.5563 0.0000 807.5562 807.5562
7 A 9.5848 0.0000 9.5848 9.5848
8 C1 10.7034 0.0000 10.7034 10.7034
9 C2 6.4171E-07 0.0000 6.4171E-07 6.4171E-07
10 C3 1.2904E-08 0.0000 1.2904E-08 1.2904E-08
11 NC4 9.7896E-09 0.0000 9.7896E-09 9.7896E-09
12 NC5 7.8864E-09 0.0000 7.8864E-09 7.8864E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 4051.6404 2861.8179 3282.1172 3284.2114
RATE, LB/HR 62246.5703 51555.6445 28434.2793 28472.0078

TEMPERATURE, F 100.00 100.00 100.00 100.00
PRESSURE, PSIG 266.000 266.000 254.000 254.000
ENTHALPY, M BTU/LB-MOL -0.3685 1.2384 -1.8235 -1.8216

*** VAPOR PHASE ***
RATE, M FT3/DAY 36900.7617 N/A 29892.2422 29892.2422
DENSITY, LB/M FT3 718.6578 N/A 384.3220 384.3220

ACT.RATE, GAL/MIN N/A 103.6961 N/A 0.0759
DENSITY, LB/GAL N/A 8.2864 N/A 8.2864
49
==============================================================================

STREAM ID 20 21 21X 22
NAME METH PROD

NAME METH PROD
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 11.5273 11.5273 11.5273 16.5861
2 O2 1.7782E-08 1.7782E-08 1.7782E-08 1.7782E-08
3 CO 3.8300 3.8300 3.8300 4.6197E-07
4 CO2 0.6144 0.6144 0.6144 0.0000
5 H2 2438.3010 2438.3010 2438.3010 2424.3533
6 N2 807.5562 807.5562 807.5562 807.5562
7 A 9.5848 9.5848 9.5848 9.5848
8 C1 10.7034 10.7034 10.7034 15.1478
9 C2 6.4171E-07 6.4171E-07 6.4171E-07 6.4171E-07
10 C3 1.2904E-08 1.2904E-08 1.2904E-08 1.2904E-08
11 NC4 9.7896E-09 9.7896E-09 9.7896E-09 9.7896E-09
12 NC5 7.8864E-09 7.8864E-09 7.8864E-09 7.8864E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 3282.1172 3282.1172 3282.1172 3273.2283
RATE, LB/HR 28434.2793 28434.2793 28434.2793 28434.2773

TEMPERATURE, F 574.15 675.00 675.00 692.54
PRESSURE, PSIG 252.000 254.000 250.000 252.000

*** VAPOR PHASE ***
RATE, M FT3/DAY 29892.2422 29892.2422 29892.2422 29811.2871
DENSITY, LB/M FT3 206.8127 189.9177 187.1087 186.1654

50
==============================================================================

STREAM ID 23 24 24W 25
NAME SYN GAS
PHASE WET VAPOR MIXED WATER WET VAPOR

NAME SYN GAS
PHASE WET VAPOR MIXED WATER WET VAPOR
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 16.5861 16.5861 4.9339 11.6522
2 O2 1.7782E-08 1.7782E-08 0.0000 1.7782E-08
3 CO 4.6197E-07 4.6197E-07 0.0000 4.6197E-07
4 CO2 0.0000 0.0000 0.0000 0.0000
5 H2 2424.3533 2424.3533 0.0000 2424.3535
6 N2 807.5562 807.5562 0.0000 807.5562
7 A 9.5848 9.5848 0.0000 9.5848
8 C1 15.1478 15.1478 0.0000 15.1478
9 C2 6.4171E-07 6.4171E-07 0.0000 6.4171E-07
10 C3 1.2904E-08 1.2904E-08 0.0000 1.2904E-08
11 NC4 9.7896E-09 9.7896E-09 0.0000 9.7896E-09
12 NC5 7.8864E-09 7.8864E-09 0.0000 7.8864E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 3273.2283 3273.2283 4.9339 3268.2944
RATE, LB/HR 28434.2773 28434.2773 88.8840 28345.3926

TEMPERATURE, F 219.26 100.00 100.00 100.00
PRESSURE, PSIG 250.000 250.000 250.000 250.000
ENTHALPY, M BTU/LB-MOL -0.9532 -1.8166 1.2376 -1.8213

*** VAPOR PHASE ***
RATE, M FT3/DAY 29811.2871 29766.3516 N/A 29766.3516
DENSITY, LB/M FT3 312.9745 379.0680 N/A 379.0680

ACT.RATE, GAL/MIN N/A 0.1788 0.1788 N/A
DENSITY, LB/GAL N/A 8.2864 8.2864 N/A
51
==============================================================================

STREAM ID 26 27 28 28A
NAME
PHASE WET VAPOR WET VAPOR DRY VAPOR MIXED

NAME
PHASE WET VAPOR WET VAPOR DRY VAPOR MIXED
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 3.7226 1.3472 0.0000 1.3472
2 O2 1.7782E-08 1.7782E-08 1.7782E-08 1.7782E-08
3 CO 4.6197E-07 4.6197E-07 4.6197E-07 4.6197E-07
4 CO2 0.0000 0.0000 0.0000 0.0000
5 H2 2424.3535 2424.3535 2424.3535 2424.3535
6 N2 807.5562 807.5563 807.5562 807.5563
7 A 9.5848 9.5848 9.5848 9.5848
8 C1 15.1478 15.1478 15.1478 15.1478
9 C2 6.4171E-07 6.4171E-07 6.4171E-07 6.4171E-07
10 C3 1.2904E-08 1.2904E-08 1.2904E-08 1.2904E-08
11 NC4 9.7896E-09 9.7896E-09 9.7896E-09 9.7896E-09
12 NC5 7.8864E-09 7.8864E-09 7.8864E-09 7.8864E-09
13 NH3 0.0000 0.0000 0.0000 0.0000

RATE, LB-MOL/HR 3260.3650 3257.9895 3256.6423 3257.9895
RATE, LB/HR 28202.5430 28159.7480 28135.4785 28159.7480

TEMPERATURE, F 95.00 95.00 95.00 95.00
PRESSURE, PSIG 695.000 1945.000 4955.000 4955.000
ENTHALPY, M BTU/LB-MOL -1.9132 -1.9287 -1.8808 -1.8764

*** VAPOR PHASE ***
RATE, M FT3/DAY 29694.1328 29672.4961 29660.2266 29665.0645
DENSITY, LB/M FT3 1007.7769 2655.5073 5954.0464 5955.4702

ACT.RATE, GAL/MIN N/A N/A N/A 0.0295
DENSITY, LB/GAL N/A N/A N/A 8.2944
52
==============================================================================

STREAM ID 29 29A 31 31A
NAME PRI SEP
PHASE DRY VAPOR DRY VAPOR DRY VAPOR DRY VAPOR

NAME PRI SEP
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 0.0000 0.0000 0.0000
2 O2 6.2984E-07 6.2984E-07 6.1825E-07 6.1825E-07
3 CO 3.2600E-05 3.2600E-05 3.2391E-05 3.2391E-05
4 CO2 0.0000 0.0000 0.0000 0.0000
5 H2 6098.3706 6098.3706 6079.1968 6079.1968
6 N2 2101.1882 2101.1882 2095.6528 2095.6528
7 A 727.6615 727.6615 723.6483 723.6483
8 C1 879.5476 879.5476 871.4004 871.4004
9 C2 2.4716E-05 2.4716E-05 2.4296E-05 2.4296E-05
10 C3 4.8126E-07 4.8126E-07 4.7263E-07 4.7263E-07
11 NC4 3.6172E-07 3.6172E-07 3.5508E-07 3.5508E-07
12 NC5 3.2516E-07 3.2516E-07 3.1995E-07 3.1995E-07
13 NH3 2106.1777 2106.1777 911.4990 911.4990

RATE, LB-MOL/HR 11912.9453 11912.9453 10681.3975 10681.3975
RATE, LB/HR 150204.4220 150204.4220 129373.1090 129373.1090

TEMPERATURE, F 430.00 924.35 85.00 85.00
PRESSURE, PSIG 4700.000 4730.000 4660.000 4660.000
ENTHALPY, M BTU/LB-MOL 2.8194 7.0395 -0.9457 -0.9726

*** VAPOR PHASE ***
RATE, M FT3/DAY 108498.4690 108498.4690 97281.9922 97281.9922
DENSITY, LB/M FT3 5574.7974 3661.2556 8445.1504 8494.1504

53
==============================================================================

STREAM ID 31P 31R 31RA 31RB
NAME PURGE RECYCLE

NAME PURGE RECYCLE
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 0.0000 0.0000 0.0000
2 O2 4.2418E-09 6.1460E-07 6.1401E-07 6.1460E-07
3 CO 2.2224E-07 3.2200E-05 3.2169E-05 3.2200E-05
4 CO2 0.0000 0.0000 0.0000 0.0000
5 H2 41.7089 6043.2681 6037.4878 6043.2681
6 N2 14.3781 2083.2673 2081.2749 2083.2673
7 A 4.9649 719.3715 718.6834 719.3715
8 C1 5.9786 866.2504 865.4218 866.2504
9 C2 1.6670E-07 2.4153E-05 2.4130E-05 2.4153E-05
10 C3 3.2427E-09 4.6984E-07 4.6939E-07 4.6984E-07
11 NC4 2.4362E-09 3.5298E-07 3.5264E-07 3.5298E-07
12 NC5 2.1952E-09 3.1806E-07 3.1775E-07 3.1806E-07
13 NH3 6.2537 906.1120 905.2454 906.1120

RATE, LB-MOL/HR 73.2843 10618.2695 10608.1133 10618.2695
RATE, LB/HR 887.6198 128608.4920 128485.4920 128608.4920

TEMPERATURE, F 85.00 85.00 85.00 85.00
PRESSURE, PSIG 4660.000 4660.000 4660.000 4660.000
ENTHALPY, M BTU/LB-MOL -0.9726 -0.9726 -0.9726 -0.9726

*** VAPOR PHASE ***
RATE, M FT3/DAY 667.4450 96707.0547 96614.5625 96707.0547
DENSITY, LB/M FT3 8494.1113 8494.1113 8494.1113 8494.1113

54
==============================================================================

STREAM ID 31X 32 32A 33
NAME
PHASE DRY VAPOR DRY LIQUID DRY LIQUID DRY VAPOR

NAME
PHASE DRY VAPOR DRY LIQUID DRY LIQUID DRY VAPOR
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 0.0000 0.0000 0.0000
2 O2 0.0000 1.1588E-08 1.1588E-08 6.1450E-07
3 CO 0.0000 2.0848E-07 2.0848E-07 3.2173E-05
4 CO2 0.0000 0.0000 0.0000 0.0000
5 H2 0.0000 19.1734 19.1734 6044.3154
6 N2 0.0000 5.5356 5.5356 2083.5227
7 A 4.9649 4.0131 4.0131 718.6836
8 C1 0.0000 8.1472 8.1472 865.7172
9 C2 0.0000 4.1987E-07 4.1987E-07 2.4145E-05
10 C3 0.0000 8.6308E-09 8.6308E-09 4.6967E-07
11 NC4 0.0000 6.6437E-09 6.6437E-09 3.5283E-07
12 NC5 0.0000 5.2145E-09 5.2145E-09 3.1788E-07
13 NH3 0.0000 1194.6786 1194.6786 906.0308

RATE, LB-MOL/HR 4.9649 1231.5481 1231.5481 10618.2705
RATE, LB/HR 198.3378 20831.3164 20831.3164 128580.3440

TEMPERATURE, F 85.00 85.00 85.00 94.07
PRESSURE, PSIG 4660.000 4660.000 4660.000 4950.000
ENTHALPY, M BTU/LB-MOL -1.7133 1.0303 1.0093 -0.8987

*** VAPOR PHASE ***
RATE, M FT3/DAY 45.2184 N/A N/A 96707.0625
DENSITY, LB/M FT3 30750.1934 N/A N/A 8759.1260

ACT.RATE, GAL/MIN N/A 71.0096 71.0096 N/A
DENSITY, LB/GAL N/A 4.8893 4.8893 N/A
55
==============================================================================

STREAM ID 34 36 36A 37
NAME SEC SEP
PHASE MIXED DRY VAPOR DRY VAPOR DRY LIQUID

NAME SEC SEP
PHASE MIXED DRY VAPOR DRY VAPOR DRY LIQUID
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 0.0000 0.0000 0.0000
2 O2 6.3229E-07 6.2984E-07 6.2984E-07 2.4445E-09
3 CO 3.2635E-05 3.2600E-05 3.2600E-05 3.4768E-08
4 CO2 0.0000 0.0000 0.0000 0.0000
5 H2 8468.6689 8465.1289 8465.1289 3.5391
6 N2 2891.0789 2890.1082 2890.1082 0.9700
7 A 728.2684 727.6615 727.6615 0.6067
8 C1 880.8651 879.5476 879.5476 1.3171
9 C2 2.4787E-05 2.4716E-05 2.4716E-05 7.0651E-08
10 C3 4.8257E-07 4.8126E-07 4.8126E-07 1.3116E-09
11 NC4 3.6262E-07 3.6172E-07 3.6172E-07 9.0112E-10
12 NC5 3.2577E-07 3.2516E-07 3.2516E-07 6.0634E-10
13 NH3 906.0308 528.3845 528.3845 377.6484

RATE, LB-MOL/HR 13874.9131 13490.8311 13490.8311 384.0815
RATE, LB/HR 156715.8280 150204.4380 150204.4380 6511.4072

TEMPERATURE, F 54.90 40.00 40.00 40.00
PRESSURE, PSIG 4900.000 4840.000 4840.000 4840.000
ENTHALPY, M BTU/LB-MOL -1.4778 -1.7863 -1.7998 0.1345

*** VAPOR PHASE ***
RATE, M FT3/DAY 125550.4450 122869.2340 122869.2340 N/A
DENSITY, LB/M FT3 8538.7656 8499.6279 8525.0176 N/A

ACT.RATE, GAL/MIN 4.9682 N/A N/A 20.7735
DENSITY, LB/GAL 5.1201 N/A N/A 5.2241
56
==============================================================================

STREAM ID 37A 38 38B 39
NAME RX FEED LET DWN GAS
PHASE DRY LIQUID DRY VAPOR DRY VAPOR DRY VAPOR

NAME RX FEED LET DWN GAS
PHASE DRY LIQUID DRY VAPOR DRY VAPOR DRY VAPOR
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000 0.0000 0.0000 0.0000
2 O2 2.4445E-09 6.2984E-07 6.2984E-07 9.7714E-09
3 CO 3.4768E-08 3.2600E-05 3.2600E-05 2.1355E-07
4 CO2 0.0000 0.0000 0.0000 0.0000
5 H2 3.5391 8465.1289 8465.1289 21.2506
6 N2 0.9700 2890.1082 2890.1082 6.0712
7 A 0.6067 727.6615 727.6615 3.2630
8 C1 1.3171 879.5476 879.5476 7.5173
9 C2 7.0651E-08 2.4716E-05 2.4716E-05 2.8712E-07
10 C3 1.3116E-09 4.8126E-07 4.8126E-07 4.9529E-09
11 NC4 9.0112E-10 3.6172E-07 3.6172E-07 3.1406E-09
12 NC5 6.0634E-10 3.2516E-07 3.2516E-07 2.2444E-09
13 NH3 377.6484 528.3845 528.3845 31.9782

RATE, LB-MOL/HR 384.0815 13490.8311 13490.8311 70.0804
RATE, LB/HR 6511.4072 150204.4380 150204.4380 1008.4857

TEMPERATURE, F 40.00 85.00 567.41 78.89
PRESSURE, PSIG 4840.000 4790.000 4760.000 350.000
ENTHALPY, M BTU/LB-MOL 0.1229 -1.4413 2.2853 3.4674

*** VAPOR PHASE ***
RATE, M FT3/DAY N/A 122869.2340 122869.2340 638.2646
DENSITY, LB/M FT3 N/A 7779.4751 4269.7148 960.9985

ACT.RATE, GAL/MIN 20.7735 N/A N/A N/A
DENSITY, LB/GAL 5.2241 N/A N/A N/A
57
==============================================================================

STREAM ID 40
NAME NH3 PROD
PHASE DRY LIQUID

NAME NH3 PROD
PHASE DRY LIQUID
COMP. MOLE RATES,
LB-MOL/HR
1 H2O 0.0000
2 O2 4.2613E-09
3 CO 2.9692E-08
4 CO2 0.0000
5 H2 1.4619
6 N2 0.4344
7 A 1.3568
8 C1 1.9471
9 C2 2.0340E-07
10 C3 4.9894E-09
11 NC4 4.4042E-09
12 NC5 3.5765E-09
13 NH3 1540.3490

RATE, LB-MOL/HR 1545.5492
MOLECULAR WEIGHT 17.0388
RATE, LB/HR 26334.2402

ENTHALPY, M BTU/LB-MOL 0.6775

*** VAPOR PHASE ***
RATE, M FT3/DAY N/A
DENSITY, LB/M FT3 N/A

ACT.RATE, GAL/MIN 87.5369
DENSITY, LB/GAL 5.0139
58

Simulation Ammonia Plant On PRO II

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