Beruflich Dokumente
Kultur Dokumente
• GAS PROCESSING
• REFINING
• PETROCHEMICAL
• CHEMICAL
• SOLIDS
Technical Additional manuals are available upon request from Simulation Sciences Inc.
Assistance
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CASESTUDY . . . . . . . . . . . . . . . . . . . . . . . . A6, R6
COLUMN
ALGORITHMS
CHEMDIST . . . . . . . . . . . . . . . . . . . . . . A2, C2, C3, C6
ELDIST . . . . . . . . . . . . . . . . . . . . . . . . R6
IO . . . . . . . . . . . . . . . . . . . . . . . . . . . A4, C1, C4, C5, G2, G5, G8, P1, P2,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . P3, P5, P6, R2, R4, R5, R6, R7, R8
LLEX . . . . . . . . . . . . . . . . . . . . . . . . . C5
SURE . . . . . . . . . . . . . . . . . . . . . . . . A5, P3
CONDENSERS
Bubble point condenser . . . . . . . . . . . . . . . A2, A5, C1, C2, C3, C4, C6, P1, P6,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . R7, R8
Fixed temperature . . . . . . . . . . . . . . . . . . C5
Mixed phase condenser . . . . . . . . . . . . . . . R5
No condenser . . . . . . . . . . . . . . . . . . . . G5, G7, G8, R4, R6
Partial with vapor product . . . . . . . . . . . . . . A2, A4, G2,G8, P5
Subcooled total condenser . . . . . . . . . . . . . . P2, R3
SPECIFICATION VARIABLES
Feed . . . . . . . . . . . . . . . . . . . . . . . . . . G8, P3, R3, R4, R5, R6, R8
Heater/cooler . . . . . . . . . . . . . . . . . . . . . A2, A5, C1, C2, C3, C4, C5, C6, G2, G5,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . G7, G8, P1, P2, P5, P6, R3, R5, R7, R8
Side draw rate . . . . . . . . . . . . . . . . . . . . . P2, R4
THERMOSIPHON REBOILER . . . . . . . . . . . . . . . G2, R5
TRAY SIZING/RATING . . . . . . . . . . . . . . . . . . . C1, C4, G2, R5
VAPOR SIDE DRAW . . . . . . . . . . . . . . . . . . . . P2
WATER DECANTING . . . . . . . . . . . . . . . . . . . . P3, R3, R5
COMPRESSORS
AFTERCOOLER . . . . . . . . . . . . . . . . . . . . . . G4
GENERAL . . . . . . . . . . . . . . . . . . . . . . . . . A1, A3, A5, A6, G6, P4, P7
LINKED TO EXPANDER . . . . . . . . . . . . . . . . . . A4, G5
MANUFACTURER’S PERFORMANCE CURVES . . . . . G3
DIMENSIONAL UNITS
ENGLISH . . . . . . . . . . . . . . . . . . . . . . . . . . A1, A3, A4, A5, A6, C3, C4, C5, C6, C7,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G1, G2, G3, G5, G6, G7,G8, P3, P4,
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . P6, R3, R5, R6, R7, R8
METRIC . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1, P5, R4
SI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C2, G4, P2
ENTHALPY OPTIONS
LEE-KESLER . . . . . . . . . . . . . . . . . . . . . . . . P5
IDEAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1,C2, C4
EXPANDER . . . . . . . . . . . . . . . . . . . . . . . . . . A4, G5
FLASHES
ADIABATIC . . . . . . . . . . . . . . . . . . . . . . . . . A1, A4, A6, G3, G4, G5, G6, G7, P4
DECANT WATER . . . . . . . . . . . . . . . . . . . . . . G6
ISOTHERMAL . . . . . . . . . . . . . . . . . . . . . . . A1, A2, A3, A5, A6, G6, G7, R5
DEFINED SPECIFICATION . . . . . . . . . . . . . . . . G8, R3, R4
FUGACITY OPTIONS
IDEAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1
SOAVE-REDLICH-KWONG . . . . . . . . . . . . . . . . . P6
HEAT EXCHANGER
ATTACHED . . . . . . . . . . . . . . . . . . . . . . . . . A4
CONFIGURATION . . . . . . . . . . . . . . . . . . . . . . P4
PROCESS/PROCESS . . . . . . . . . . . . . . . . . . . A1, A3, A4, A5, A6, G5, G7, G8, P4, S1
PROCESS/UTILITY . . . . . . . . . . . . . . . . . . . . . A4, A5, C5, G6, G8, P4, S1
SINGLE SIDED . . . . . . . . . . . . . . . . . . . . . . . A5, G3, G5, G7, P7
SPECIFICATION
Approach . . . . . . . . . . . . . . . . . . . . . . . A1, A5, G5
Duty . . . . . . . . . . . . . . . . . . . . . . . . . . G3
Liquid fraction . . . . . . . . . . . . . . . . . . . . . A1, A5, G3
Temperature . . . . . . . . . . . . . . . . . . . . . . A3, A4, A5, A6, G3, G5, G6, G8, P4, P7
HEATING/COOLING CURVES
FEED VAPORIZATION . . . . . . . . . . . . . . . . . . . R1
INTERACTIVE . . . . . . . . . . . . . . . . . . . . . . . . G3, P2
K-VALUES
ALCOHOL . . . . . . . . . . . . . . . . . . . . . . . . . . C3, C6
AMINE . . . . . . . . . . . . . . . . . . . . . . . . . . . . G8
BRAUN K10 . . . . . . . . . . . . . . . . . . . . . . . . . R3, R4, R5
CHAO-SEADER/GRAYSON-STREED . . . . . . . . . . . A3, P2, P4, P5, R7
GLYCOL . . . . . . . . . . . . . . . . . . . . . . . . . . . G7
NRTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . A2, C1, C2, C5
PENG-ROBINSON . . . . . . . . . . . . . . . . . . . . . A1, G3, G5, P1, P3
Interaction parameter . . . . . . . . . . . . . . . . . P1
OPTIMIZER . . . . . . . . . . . . . . . . . . . . . . . . . . A4, R7
OUTPUT OPTIONS
ASTM/TBP CURVES . . . . . . . . . . . . . . . . . . . . P3, R1, R3, R4, R5
LIQUID VOLUME . . . . . . . . . . . . . . . . . . . . . . A5, G5
MULTIPLE OUTPUTS . . . . . . . . . . . . . . . . . . . C7, G5
PARTIAL . . . . . . . . . . . . . . . . . . . . . . . . . . G4, R8
STREAM COMPONENT FRACTION/PERCENT . . . . . A2, A3, C1, C2, C3, C4, P1, P2, P6, R8, S1
STREAM SUMMARY . . . . . . . . . . . . . . . . . . . . R3, R4, R5, R6
PHASE ENVELOPE . . . . . . . . . . . . . . . . . . . G1
REACTORS
CONVERSION . . . . . . . . . . . . . . . . . . . . . . . A3, A5, P4
CSTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . P7
EQUILIBRIUM . . . . . . . . . . . . . . . . . . . . . . . A6
METHANATOR . . . . . . . . . . . . . . . . . . . . . . . C7
SHIFT . . . . . . . . . . . . . . . . . . . . . . . . . . . . C7
RECYCLE
ACCELERATION . . . . . . . . . . . . . . . . . . . . . . A3, A6, G8, P4, P7, S1
CLOSED LOOP . . . . . . . . . . . . . . . . . . . . . . A1, A5, G3
GENERAL . . . . . . . . . . . . . . . . . . . . . . . . . A2, A4, G4, G6
PURGED . . . . . . . . . . . . . . . . . . . . . . . . . . A3, P4
THERMAL . . . . . . . . . . . . . . . . . . . . . . . . . . A1, G5
TOLERANCE . . . . . . . . . . . . . . . . . . . . . . . . P4
SHORTCUT DISTILLATION
FENSKE MULTIPRODUCT . . . . . . . . . . . . . . . . . R3
ONE FEED, TWO PRODUCT . . . . . . . . . . . . . . . . P1, P5, P7
SOLIDS
CENTRIFUGE . . . . . . . . . . . . . . . . . . . . . . . . S1
CRYSTALLIZER . . . . . . . . . . . . . . . . . . . . . . . S1
DISSOLVER . . . . . . . . . . . . . . . . . . . . . . . . . S1
MELTER . . . . . . . . . . . . . . . . . . . . . . . . . . . S1
STREAM INPUT
ASTM CURVE . . . . . . . . . . . . . . . . . . . . . . . . R1, R4, R5
LIGHTENDS . . . . . . . . . . . . . . . . . . . . . . . . . R1, R3
LIQUID FRACTION . . . . . . . . . . . . . . . . . . . . . G2
TBP CURVE . . . . . . . . . . . . . . . . . . . . . . . . . R3, R5
TRANSPORT PROPERTIES
API LIQUID VISCOSITY . . . . . . . . . . . . . . . . . . R3, R5
PETROLEUM . . . . . . . . . . . . . . . . . . . . . . . . A4, R1, R3, R4, R5
PURE/LIBRARY . . . . . . . . . . . . . . . . . . . . . . . C2, C5, C7, G2
SIMSCI LIQUID VISCOSITY . . . . . . . . . . . . . . . . R4
VLLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C3, C6
WATER
DECANTATION IN COLUMN CONDENSER . . . . . . . R3, R5
WATER TRAP TRAYS . . . . . . . . . . . . . . . . . . . P3
Deethanizer G2
Refrigeration Loop G3
Compressor Train G4
Expander Plant G5
ENVELOPE
A high pressure natural gas stream is being transported through a pipeline. You
need to establish whether liquid will dropout during a cold winter, and, if so, what
you must do to prevent it.
The first step is to determine the conditions under which liquid will appear. The
easiest way to do this is to produce a phase envelope for the gas mixture and
examine the boundary of the two phase region.
Process Data Table G1.1 shows the composition of the gas stream. No additional data are
required to solve this problem.
Table G1.1
GAS STREAM COMPOSITION
Methods The phase envelope will solve using either Soave-Redlich-Kwong (SRK) or Peng-
and Data Robinson (PR) for the equilibrium and enthalpy calculations. This example uses
SRK.
Simulation Phase envelopes may be generated for any flow sheet stream whether it is a defined
Model feed stream or the product from a unit operation. The phase envelope is a function
only of the stream composition.
All you need to specify to generate the complete envelope is the stream label. No
initial estimates are required. The critical point, cricondentherm and cricondenbar,
will all be calculated.
Input Data The phase envelope is generated by the first EVALUATE statement. The other
statements produce lines of constant liquid fraction which are superimposed on the
envelope.
The temperature and pressure of the stream must be entered on the PROP
statement, but they are not used in the calculation.
TITLE PROBLEM=G1,PROJECT=APPBRIEFS,&
G1 PHASE
USER=SIMSCI,DATE=SEPT 90
COMPONENT DATA
LIBID 1,N2/2,C1/3,C2/4,C3/5,NC4/6,NC5/7,NC6
THERMODYNAMIC DATA
METHOD SYSTEM=SRK
STREAM DATA
PROP STREAM=1,TEMP=1,PRESS=1,&
COMP=1.4/94.3/2.6/0.68/0.44/0.37/0.21
UNIT OPERATION
PHASE UID=PHS1
EVALUATE STREAM=1
EVALUATE STREAM=1,LFRACT=0.05
EVALUATE STREAM=1,LFRACT=0.01
Results The maximum dew point temperature occurs at the cricondentherm which is 28.2
F at a pressure of 600 psia.
Figure G1.1
Phase Envelope Plot
G1 PHASE
If temperatures below 28 F are possible, condensation could occur in parts of the
pipeline which are exposed to the atmosphere.
ENVELOPE
You will need to study the specific pipeline further to establish whether heaters are
required or if insulation will be sufficient. Alternatively, you might consider removing
more of the heavier components in the gas treatment before the gas enters the
pipeline.
Output The phase envelope information is most easily interpreted when presented in
graphical form. The phase envelope plot shows the type of output produced from
the PC graphics option.
The plot shows the envelope with the lines of constant liquid fraction at 1% and 5%
superimposed on it. If you could accept up to 1% liquid in your line, there would be
no problem unless the temperature fell below -19 F.
The tabular temperature and pressure points for the phase envelope are printed,
and the critical point is identified. Similar tables are available for the lines of constant
liquid fraction.
UNIT 1, ’PHS1’
G1 PHASE
F PSIA
CRICONDENTHERM 28.20 599.6
CRICONDENBAR -27.98 1324.5
CRITICAL POINT -96.06 847.7
MAX. TEMP AND PRES 28.20 1324.5
G2 DEETHANIZER
0.025.
There is a design trade-off between capital and operating costs. Capital cost
depends on the number of stages, which determines the height, and on the diameter
of the column. Operating costs depend on condenser and reboiler loadings.
In order to develop a relationship between capital and operating costs, a number of
runs with different column heights (stages) is required. This example calculates the
diameter of a 20 theoretical tray column operating at 82% of flood, with an 18-inch
sieve tray spacing. The diameters of the sections above and below the feed are
determined separately.
Figure G2.1
Deethanizer Column
Table G2.1
GAS STREAM COMPOSITION
Table G2.2
Process Conditions
G2 DEETHANIZER
tray is determined, and each section is then rated at its largest tray diameter.
The propane recovery is defined by a 1% molar loss in the overhead. The ethane/pro-
pane ratio in the bottoms, 0.025, is the ratio of the component molar flow rates. The
condenser and reboiler duties are varied in order to meet the specifications.
Input Data File:
TITLE PROBLEM=G2,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMENSION PRES=PSIG,LIQVOL=GAL
COMPONENT DATA
LIBID 1,N2/2,C1/3,C2/4,C3/5,IC4/6,NC4/&
7,IC5/8,NC5/9,NC6/10,NC7
THERMODYNAMIC DATA
METHOD SYSTEM=SRK,DENSITY(L)=LK,TRANSPORT=PURE
STREAM DATA
PROP STREAM=1,LFRACT=0.7,PRESS=440,RATE=900,&
COMP=0.03/44.59/19.83/19.09/4.16/&
4.60/1.68/1.16/2.96/1.90
NAME 1,FEED/2,OVERHEAD/3,BOTTOMS
UNIT OPERATIONS DATA
COLUMN UID=D101,NAME=DEETHANIZER
PARA TRAY=20
FEED 1,10,SEPARATE
PROD OVHD=2,540,BTMS=3
COND TYPE=PARTIAL,PRES=425
PSPEC TOP=430,DPCOL=10
HEAT 1,1/2,20
ESTI MODEL=CONVENTIONAL,RRATIO=0.4
SPEC STREAM=3,COMP=3,RATE,RATIO,COMP=4,VALUE=0.025
SPEC STREAM=2,COMP=4,RATE,RATIO,STREAM=1,VALUE=0.01
PA FROM=20,TO=20,LFRACTION=0.65
VARY HEAT=1,2
TSIZE SECTIONS=2,9,SIEVE,SPACING=18,FF=82,DMIN=18
TSIZE SECTIONS=10,20,SIEVE,SPACING=18,FF=82,DMIN=18
END
Conclusions This simulation shows the diameter and duties for one specific column height. The
column cost is obtained from the height and diameter. The column duties determine
the capital costs of the condenser and reboiler, as well as representing the major
operating costs. You will need to run cases at other column heights to determine
G2 DEETHANIZER
Output The column summary output shows the details of the temperatures, pressures,
duties and flow rates in the column.
The tray sizing results show the calculated diameter for each tray. Where the
calculated diameter is not sufficient to accomodate the tray free area plus the
downcomer area, a warning is printed and the diameter is increased until the
restriction has been overcome.
The largest tray diameter in each section is used to rate the whole section, 30 inches
in the top and 54 inches in the bottom of the column. The flooding factor and
downcomer backup are printed for each tray.
Finally, part of the stream printout is presented with a summary of the feed and
product streams.
G2 DEETHANIZER
1 -36.6 425.00 314.3 577.5V -1.4598
2 -8.0 430.00 312.3 891.9
3 1.1 430.56 293.0 889.8
4 8.2 431.11 270.0 870.5
5 15.4 431.67 250.9 847.5
6 21.9 432.22 237.9 828.5
7 26.9 432.78 228.9 815.4
8 30.7 433.33 219.4 806.4
9 34.5 433.89 203.7 796.9 272.6V
10 70.6 434.44 1045.5 508.5 627.4L
11 112.8 435.00 1216.8 723.0
12 135.2 435.56 1313.5 894.3
13 150.7 436.11 1380.8 991.0
14 162.7 436.67 1438.0 1058.4
15 172.4 437.22 1487.2 1115.5
16 180.4 437.78 1524.6 1164.7
17 187.7 438.33 1541.7 1202.1
18 195.8 438.89 1517.4 1219.2
19 208.4 439.44 1399.9 1194.9
20 234.9 440.00 1077.4 322.5L 5.4219
PUMPAROUNDS
SPECIFICATIONS
TRAY VAPOR LIQUID VLOAD ---- DESIGN ---- NEXT SMALLER NEXT LARGER NP
CFS HOTGPM CFS DIA, IN FF DIA, IN FF DIA, IN FF
-------- --------- ------------ --------- ------------- -------- ------------- -------- ------------- -------- ----
2 2.071 42.6 0.714 25.1 82.0 24. 91.5 30. 53.5 1
3 2.078 40.9 0.706 24.8 82.0 24. 88.8 30. 52.3 1
4 2.076 38.6 0.691 24.3 82.0 24. 84.9 30. 50.4 1
5 2.074 36.7 0.679 27.0 62.0 24. 81.9 30. 48.9 1
MECHANICAL RESTRICTION ON TRAY 5, FOR FF = 82.0, CALCD. DIA = 24.0
6 2.073 35.5 0.671 26.8 61.9 24. 80.0 30. 48.0 1
MECHANICAL RESTRICTION ON TRAY 6, FOR FF = 82.0, CALCD. DIA = 23.8
7 2.073 34.7 0.666 29.6 48.7 24. 78.7 30. 47.3 1
MECHANICAL RESTRICTION ON TRAY 7, FOR FF = 82.0, CALCD. DIA = 23.6
8 2.076 33.7 0.660 29.4 48.6 24. 77.3 30. 46.6 1
MECHANICAL RESTRICTION ON TRAY 8, FOR FF = 82.0, CALCD. DIA = 23.4
9 2.037 31.8 0.643 29.0 48.4 24. 74.1 30. 44.9 1
MECHANICAL RESTRICTION ON TRAY 9, FOR FF = 82.0, CALCD. DIA = 23.0
10 1.961 179.7 0.715 37.2 63.2 36. 69.6 42. 46.2 1
MECHANICAL RESTRICTION ON TRAY 10, FOR FF = 82.0, CALCD. DIA = 34.2
11 2.401 229.9 0.960 40.0 82.0 36. 121.7 42. 70.4 1
12 2.647 263.4 1.118 43.5 82.0 42. 92.1 48. 61.8 1
13 2.812 289.5 1.236 46.1 82.0 42. 114.0 48. 72.6 1
14 2.947 312.6 1.339 48.3 82.0 48. 83.6 54. 60.3 1
15 3.062 333.2 1.429 50.2 82.0 48. 94.9 54. 66.8 1
16 3.155 350.3 1.503 51.8 82.0 48. 105.6 54. 72.6 1
17 3.217 362.3 1.555 52.9 82.0 48. 114.1 54. 77.0 1
18 3.226 365.0 1.566 53.1 82.0 48. 116.1 54. 78.0 1
19 3.107 347.3 1.486 51.5 82.0 48. 103.6 54. 71.6 1
** WARNING ** DESIGN DIAMETER INCLUDES MECHANICAL RESTRICTION ALLOWANCES
G2 DEETHANIZER
DESIGN NUMBER --------- DOWNCOMER WIDTHS -------------
SECTION TRAY DIAMETER NP OF VALVES SIDE CENTER OFF-CENTER
NUMBER IN OR CAPS IN IN IN
------------- ------------ ---------------- ---- ----------------- ------------ ------------- --------------------
1 2 30. 1 N/A 4.112 N/A N/A
2 18 54. 1 N/A 15.289 N/A N/A
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, IN
CFS HOTGPM CFS IN PSI GPM/IN CLEAR LIQD
-------- --------- ------------ --------- -------- -------- ---- ------------ ------------- --------------------
2 2.071 42.6 0.714 30. 53.5 1 0.039 2.1 5.51
3 2.078 40.9 0.706 30. 52.7 1 0.040 2.0 5.46
4 2.076 38.6 0.691 30. 51.4 1 0.040 1.9 5.37
5 2.074 36.7 0.679 30. 50.3 1 0.040 1.8 5.30
6 2.073 35.5 0.671 30. 49.6 1 0.040 1.7 5.26
7 2.073 34.7 0.666 30. 49.1 1 0.040 1.7 5.23
8 2.076 33.7 0.660 30. 48.6 1 0.040 1.6 5.19
9 2.037 31.8 0.643 30. 47.2 1 0.040 1.5 5.11
10 1.961 179.7 0.715 54. 34.9 1 0.043 3.7 6.05
11 2.401 229.9 0.960 54. 46.7 1 0.043 4.7 6.67
12 2.647 263.4 1.118 54. 54.5 1 0.045 5.4 7.15
13 2.812 289.5 1.236 54. 60.6 1 0.046 6.0 7.53
14 2.947 312.6 1.339 54. 65.9 1 0.047 6.4 7.88
15 3.062 333.2 1.429 54. 70.7 1 0.047 6.8 8.21
16 3.155 350.3 1.503 54. 74.6 1 0.048 7.2 8.49
17 3.217 362.3 1.555 54. 77.4 1 0.049 7.4 8.69
18 3.226 365.0 1.566 54. 78.0 1 0.049 7.5 8.74
19 3.107 347.3 1.486 54. 73.9 1 0.048 7.1 8.44
STREAM ID 1 2 3
NAME FEED OVERHEAD BOTTOMS
PHASE MIXED VAPOR LIQUID
G2 DEETHANIZER
Process Data The process flow sheet is shown in Figure G3.1. The loop is closed and operates
with a fixed quantity of refrigerant. The liquid refrigerant flashes through the valve,
V1, and some of the vapor produced is condensed in the cooler H2. The proposed
modifications will reduce or eliminate this duty.
The two phases in the stream leaving the cooler are separated in the flash, F1, and
G3 REFRIG
the liquid portion is vaporized to provide the required refrigerant duty. The two vapor
LOOP
streams are then combined, recompressed, and condensed.
Figure G3.1
Refrigeration Loop Flow Sheet
Table G3.1
REFRIGERANT COMPOSITION
Figure G3.2
Compressor Performance Curves
Methods The Peng-Robinson equation of state has been selected for calculating equilibrium
and Data K-values, enthalpies, and entropies. Liquid densities are calculated using the
Lee-Kesler correlation. This combination gives accurate results for this type of light
hydrocarbon system.
Simulation The independent variable in this simulation is the flow rate of the refrigerant. This
Model flow rate is estimated in the Stream Data Catagory based on the latent heat of
propane, and a feedback controller is used to calculate it as shown in Figure G3.3.
The vaporizer exit stream is set to its dew point, and the controller varies the rate of
stream 1 in order to meet the required refrigerant duty.
We want to study the effect of reducing the duty of H2. Although multiple cases
could be executed, in this example, the interactive facility is used to change the duty
and observe its effect on the other important parameters. This facility uses a
question and answer procedure, and allows any specification in the flow sheet to
be changed and any parameter to be inspected during the program execution. The
interactive facility may be invoked via the Graphics User Interface on the PC, or via
the PRO/II driver on mainframe computers.
The existing base case is simulated. Then the duty of H2 is reduced in steps until
the program indicates that the combination of required process conditions is
impossible. The refrigerant flow rate, the compressor work, and the cooling in H1
are inspected at each step.
Input Data English units default, and U.S. gallons are specified for liquid
volume on the DIMENSION statement.
The defined stream 1 flow rate of 20,000 moles/hr is an estimate, and this is varied
by the controller to meet the duty specification on exchanger, H3. An absolute
tolerance of 0.5 MM BTU is specified on this duty.
The H3 specification of a zero liquid fraction sets the outlet condition to its dew point.
The compressor performance curves for actual head and adiabatic efficiency are
input as tabular values against actual inlet flow rate.
OPER PRES=88
LOOP
HX UID=H2,NAME=COOLER
HOT FEED=2,L=3,DP=5
OPER DUTY=12.5
FLASH UID=F1,NAME=SEPARATOR
FEED 3
PROD V=4,L=5
ADIA
HX UID=H3,NAME=VAPORIZER
COLD FEED=5,V=6,DP=9
OPER CLFRACT=0
CONTROL UID=CON1,NAME=CONTROL
SPEC HX=H3,DUTY,VALUE=82.74,ATOL=0.5
VARY STREAM=1,RATE
CPAR ITER=10
MIXER UID=M1,NAME=SURGE
FEED 4,6
PROD M=7
OPER PRES=65
COMPRESS UID=C1,NAME=COMPRESSOR
FEED 7
PROD V=8
HEAD ACTUAL=912000,38000/1018000,37000/1237000,35300/&
1356000,33100/1427000,27250
EFFI ADIA=912000,69 /1018000,71 /1237000,72 /&
1356000,73 /1427000,71
HX UID=H1,NAME=COOLER
HOT FEED=8,V=1,DP=8
OPER HTEMP=140
END
G3 REFRIG
ENTER COMMAND (HELP)
LOOP
} VIEW
} VIEW UNIT C1
FEEDS 7
PRODUCTS 8
OUTLET TEMPERATURE, F 183.65
OUTLET PRESSURE, PSIA 321.82
PRESSURE INCREASE, PSI 256.82
ACTUAL WORK, HP 13121.76
HEAD, FT 35184.28
ADIABATIC EFFICIENCY 72.00
POLYTROPIC EFFICIENCY 76.82
G3 REFRIG
LOOP
After PRO/II’s internal pointer is reset to the beginning of the calculation sequence
G3 REFRIG
with GOTO UNIT #1, the RUN command re-solves the flow sheet, and the results
are inspected as before.
LOOP
Results The base case flow sheet converges in only two recycle trials. The flow sheet is
solved with the existing duty of cooler, H2, and then with 15 and 12.5 MM Btu/hr.
However, when the duty is below 12.2 MM Btu/hr, the refrigerant flow rate increases
dramatically beyond the range of the compressor performance curves.
The main flow sheet parameters are listed in Table G3.2 for the first three cases.
Exchanger H2 condenses some of the refrigerant, and therefore, if the duty is
reduced, less condensation occurs. This is reflected in the lower liquid fraction at
the separator. Higher refrigerant flow rates are therefore required to maintain the
same liquid flow through the vaporizer.
The performance curves in Figure G3.2 show that the compressor head falls with
increasing flow rate. At the flow rates in these simulations, the efficiency increases
with flow rate, and so the compressor outlet pressure increases.
Table G3.2
RESULTS
Conclusions The refrigerant loop can only operate as currently configured if the cooling duty in
exchanger H2 exceeds 12.2 MM Btu/hr. If the duty is to be reduced farther, the flow
sheet will require other modifications.
The interactive feature is extremely useful in this type of study, as the user can
intervene when impossible process conditions occur. When low H2 duties are
entered, the compressor calculation fails, and the execution is interrupted. The duty
is then changed and the calculation continues until a solution is possible.
This simulation shows the importance of considering the real performance charac-
teristics of process equipment. If the compressor were specified with only a defined
G3 REFRIG
exit pressure, the problem with increased flow rate might not have been detected
LOOP
Output The stream output is shown for the case with the cooler duty at 12.5 MM Btu/hr.
G3 REFRIG
PRESSURE, PSIA 311.6193 88.0000 83.0000 83.0000
LOOP
ENTHALPY, MM BTU/HR 59.4047 59.4057 46.9135 43.6858
MOLECULAR WEIGHT 44.2345 44.2345 44.2345 43.9492
MOLE FRAC VAPOR 0.0000 0.4257 0.3376 1.0000
MOLE FRAC LIQUID 1.0000 0.5743 0.6624 0.0000
STREAM ID 5 6 7 8
NAME
PHASE LIQUID VAPOR VAPOR VAPOR
Process Data The flow sheet is shown in Figure G4.1. Each stage consists of a compressor,
aftercooler, and separator drum. Table G4.1 lists the specified operating conditions
for the compressors.
G4 COMPRESSOR
Figure G4.1
Compressor Train Flow Sheet
Table G4.1
COMPRESSOR DATA
Table G4.2
FEED STREAM INFORMATION
Temperature (C) 45
G4 COMPRESSOR
TRAIN
Table G4.3
PETROLEUM FRACTION PROPERTIES
Input Data SI units are used in this simulation with the temperatures in Celsius rather than the
default of Kelvin. The three petroleum fractions are characterized by molecular
weight, specific gravity, and boiling point. XDEN=SPGR indicates that specific
gravity is entered rather than density, the default for SI units.
G4 COMPRESSOR
PROD V=2,L=11
ADIA
COMPRESS UID=C1,NAME=STAGE 1
TRAIN
FEED 2
PROD V=3
OPER EFF=78,PRES=1100
COOLER TEMP=60
FLASH UID=F2,NAME=STAGE 1 SEP
FEED 3,8
PROD V=4,L=5
ADIA
COMPRESS UID=C2,NAME=STAGE 2
FEED 4
PROD V=6
OPER EFF=75,PRES=2600
COOLER TEMP=60
FLASH UID=F3,NAME=STAGE 2 SEP
FEED 6,9
PROD V=7,L=8
ADIA
COMPRESS UID=C3,NAME=STAGE 3
FEED 7
PROD V=10,L=9
OPER EFF=72,PRES=6200
COOLER TEMP=60
END
Table G4.4
COMPRESSOR RESULTS
Conclusions The work required for all the compressors is similar, and it may be possible to use
identical machines for each. The duty required to cool the vapor and the amount of
liquid to be recycled increase as the pressure difference increases across each
stage. The total cooling requirement is 366.8 GJ/hr.
Output The flash summary shows the details of the feed flash and first two letdown stages.
G4 COMPRESSOR
Details of the third stage are shown on the output from compressor C3.
The PRINT statement specifies that only part of the stream printout is required. This
prints the component flow rates, temperatures, and pressures, but omits the
property output. The final output lists the details of the feed and product streams.
FEEDS 100 3 6
5 8 9
PRODUCTS VAPOR 2 4 7
LIQUID 11 5 8
FEEDS 7
PRODUCTS LIQUID 9
VAPOR 10
OPERATING CONDITIONS
G4 COMPRESSOR
MOLE PERCENT VAPOR 100.0000 100.0000 100.0000
MOLE PERCENT LIQUID 0.0000 0.0000 0.0000
ACT VAP RATE, M3/SEC 8.3816
ADIABATIC EFF, PERCENT 72.0000
POLYTROPIC EFF, PERCENT 74.6812
ISENTROPIC COEFFICIENT, K 1.2019
POLYTROPIC COEFFICIENT, N 1.2902
HEAD, M
ADIABATIC 7566.30
POLYTROPIC 7848.06
ACTUAL 10508.75
WORK, KW
THEORETICAL 20002.73
POLYTROPIC 20747.60
ACTUAL 27781.56
AFTERCOOLER
DUTY, M*KJ/HR -164.79
TEMPERATURE, C 60.00
PRESSURE, KPA 6200.00
1STREAM ID 10 11 100
NAME COMPR VAPOR CONDENSATE INLET GAS
PHASE VAPOR LIQUID MIXED
Process Data The flow sheet is shown in Figure G5.1 and the new feed composition is in Table
G5.1.
G5 EXPANDER
PLANT
Figure G5.1
Expander Plant Flow Sheet
The expander lets the pressure down to 125 psig, which is the working pressure of
the demethanizer column. 90% of the expander work is utilized by the compressor.
The expander efficiency is 80% and the compressor efficiency is 75%.
Simulation The flow sheet shown in Figure G5.1 is thermally coupled in the gas-gas exchanger
Model E1. However, you can often eliminate thermal couples and significantly reduce the
computation time, simply by re-ordering the calculation.
G5 EXPANDER
The purpose of the chiller is to ensure that the temperature of the flash separator
D1 is constant, and so you know all the process conditions of stream 3. If you start
PLANT
the calculation at D1, then E1 and E2 can be calculated after the column, and no
iteration is required.
The procedure for this is simple:
1) reference stream 3 to feed stream 100 in the STREAM data section
2) use a SEQUENCE statement to start the calculations with unit D1
3) give the product stream from unit E2 a dummy stream label 3X. Streams 3 and
3X are identical.
The demethanizer is modeled as a conventional distillation column with 10 theoreti-
cal stages, including the reboiler. The reboiler duty is varied to achieve the specified
methane/ethane ratio in the bottom product.
TITLE PROBLEM=G5,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMEN PRES=PSIG
OUTD SI,ADD,PRES=BAR
SEQU D1,V1,X1,T1,E1,E2,C1
PRINT RATE=M,LV
COMPONENT DATA
LIBID 1,NITROGEN/2,METHANE /3,ETHANE /4,PROPANE / &
5,IBUTANE /6,BUTANE /7,IPENTANE/8,PENTANE / &
9,HEXANE /10,HEPTANE
THERMODYNAMIC DATA
METHOD SYSTEM=PR,DENSITY(L)=LK
STREAM DATA
G5 EXPANDER
PROP STREAM=100,TEMP=120,PRES=588,PHASE=V,RATE(G)=1.0167E+6,&
PLANT
COMP=1,7.91/2,73.05/3,7.68/4,5.69/5,0.99/6,2.44/&
7,0.69/8,0.82/9,0.42/10,0.31
PROP STREAM=3,REFS=100,TEMP=-84,PRES=573
NAME 100,INLET GAS/11,GAS PRODUCT/9,LIQUID PROD
UNIT OPERATIONS
HX UID=E1,NAME=GAS-GAS EX
HOT FEED=100,V=2,DP=10
COLD FEED=8,V=10,DP=5
OPER HICO=10
HX UID=E2,NAME=CHILLER
HOT FEED=2,V=3X,DP=5
OPER HTEMP=-84
FLASH UID=D1,NAME=SEPARATOR
FEED 3
PROD V=4,L=5
ADIA
Results The demethanizer column solves with a reboiler duty of 2.5 GJ/hr. The expander
produces 287 kW of work, and 258 kW are used by the compressor. The compres-
sor feed is at 9.29 bar, and the outlet pressure is 12.07 bar. The expander drops
the pressure from 40.5 bar to 9.6 bar.
G5 EXPANDER
Conclusions The demethanizer column can meet the purity specification with the new feed stream
PLANT
as long as the required 2.5 GJ/hr is available for the reboiler. The compressor
recovers 2.78 bar from the expansion of the column feed vapor stream through 30.9
bar.
Output The demethanizer output is in SI units and shows the required duty as well as the
column temperatures and internal flow rates. The expander and compressor
outputs show the isentropic and theoretical calculation results, as well as the actual
performance.
The heat exchanger results are shown in the input (English) units.
The stream component flow rates showing the feed and product streams are
presented in both the molar and liquid volume units.
IN/OUT METHOD 7
COLUMN SUMMARY
G5 EXPANDER
FEED 7 MIXED 1 0.0620 806.14 -4.1434
PLANT
FEED 6 MIXED 3 0.6544 409.12 -3.0491
PRODUCT 8 VAPOR 1 996.09 -4.5430
PRODUCT 9 LIQUID 10 219.16 -0.1479
SPECIFICATIONS
FEEDS 4
PRODUCTS MIXED 7
OPERATING CONDITIONS
FEEDS 10
PRODUCTS VAPOR 11
OPERATING CONDITIONS
OPERATING CONDITIONS
G5 EXPANDER
FEED 8
PLANT
VAPOR PRODUCT 10
VAPOR, LB-MOL/HR 2196.011 2196.011
M LB/HR 38.210 38.210
CP, BTU/LB-F 0.515 0.508
TOTAL, LB-MOL/HR 2196.011 2196.011
M LB/HR 38.210 38.210
CONDENSATION, LB-MOL/HR 0.000
TEMPERATURE, F -170.170 110.000
PRESSURE, PSIG 125.000 120.000
STREAM ID 9 10 11 100
NAME LIQUID PROD GAS PRODUCT INLET GAS
PHASE LIQUID VAPOR VAPOR VAPOR
G5 EXPANDER
PLANT
Process Data The flow sheet for the three stage process is shown in Figure G6.1. The feed
consists of water, pure hydrocarbons, and petroleum fractions as shown in Table
G6.1.
G6 THREE STAGE
LETDOWN
Figure G6.1
Three Stage Letdown Flow Sheet
The first stage flash is at 300 psia and 200 F. The second stage is adiabatic at 200
psia. The third stage is also adiabatic, but the pressure is calculated in order to
meet the TVP specification.
60% of the free water in stage 1 is removed from the process. The remainder is
removed from the following flashes. The compressor outlets are cooled to 120 F,
and the liquid portions are recycled to the third stage flash.
The vapor from stages 2 and 3 are recompressed to 97 and 297 psia respectively.
The final product gas is produced at 297 psia.
Methods The crude oil has been characterized in the laboratory into nine petroleum fractions,
and Data with the properties listed in Table G6.2. The data are entered with the PETRO
G6 THREE STAGE
statement, and all other properties are are estimated from the given data, using
LETDOWN
Simulation The TVP specification is the vapor pressure of the liquid at a defined temperature.
Model The most widely used temperature is 100 F and this is the default in PRO/II. Different
temperatures may be defined with the TVPBASIS entry on the CALC statement in
General Data.
The pressure of the final letdown stage (VAL2) is varied using a controller to meet
the TVP specification on the liquid product. The initial pressure defined for VAL2 is
a first estimate.
The calculation requires recycle and controller loops. Computation time is reduced
by modeling the compressors as isothermal flashes within the loops. After the
recycle and controller have solved, the compressors and aftercoolers are rigorously
modeled to determine horsepowers and duties. No initial estimates are required for
the recycles.
In order to calculate the cooling water requirements, separate heat exchanger
models are used instead of the built-in compressor aftercoolers.
G6 THREE STAGE
Input Data No dimensional units are defined for this simulation, so they default to the standard
set of English units. LETDOWN
The free water is decanted from the first stage flash, and 60% is removed by the
splitter unit. The remainder of the water is fed to the second stage.
The controller specifies that the TVP of the oil must be 14.7 with an absolute
tolerance of 0.1. The variable is defined as the pressure of unit VAL2. The
convergence of the controller is handled automatically.
The flashes C1+ and C2+ replace the compressors and aftercoolers during recycle
trials. A stream may feed more than one unit operation, and so the feeds to C1+
and C2+ are also fed to the rigorous compressor models. The products from the
aftercoolers do not feed other units ,and so the program only calculates the
compressors and aftercoolers after the recycle has converged.
HX UID=HX-1
HOT FEED=22,V=24,L=11,W=W5,DP=3
LETDOWN
SPEC HOT,TEMP=120
UTILITY WATER,TIN=70,TEMP=100
Results The gas product dry flow rate is 715,789 ft3/hr, and the oil production is 2498 bbl/hr.
The final stage pressure which gives the required oil TVP is 35.7 psia.
The cooling water required by stages 1 and 2 is 83,124 and 112,554 lb/hr respec-
tively (simulation output not shown here).
Conclusions This simulation has provided all the necessary information. The model could now
be used to investigate if different letdown and/or compressor conditions could
improve the oil product rate.
G6 THREE STAGE
LETDOWN
Output The flash drum summary shows the conditions in each letdown and compression
stage. The full details of the second stage compressor and aftercooler appear on
the compressor and heat exchanger output. The aftercooler details show the cooling
water requirement.
A portion of the stream property output showing the feed and product streams is
presented.
FEEDS 100 2 3 24
SW1 10 21
9
11
PRODUCTS VAPOR 20 21 22 27
LIQUID 2 3 105 10
WATER W1 W2 W3
FLASH ID C2+
NAME 2ND COMPRESS
FEEDS 27
20
TEMPERATURE, F 120.000
PRESSURE, PSIA 297.000
PRESSURE DROP, PSI -200.000
MOLE FRAC VAPOR 0.91846
MOLE FRAC TOTAL LIQUID 0.08154
G6 THREE STAGE
FEEDS 27
PRODUCTS VAPOR 28
OPERATING CONDITIONS
G6 THREE STAGE
LETDOWN
OPERATING CONDITIONS
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
G6 THREE STAGE
LETDOWN
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
Process Data The process flowsheet for the TEG dehydration system is shown in Figure G7.1. The
feed to this system is 39 MMSCFD of wet gas (21.5 pounds of water per MMSCF of
wet gas) at 80 F and 720 psig.
This feed stream is synthesized by mixing the hydrocarbon gas on a dry basis (stream
‘‘1G’’) with water (stream ‘‘1W’’) to yield the actual wet gas feed (stream ‘‘1"). The
Stream Data specifications consist of the composition and thermal condition of the
two feed streams (streams ’’1G" and ‘‘1W) and the recycle stream (stream ’’3"):
Table G7.1
Feed Stream Information
Stream ID 1G 1W 3
Stream Name Gas Mix Water Mix Lean TEG
Stream Mole Weight
Components Percent lb/day Percent
1 CO2 1.365 0.00 0.000
2 H2S 1.700 0.00 0.000
3 C1 88.140 0.00 0.000
4 C2 6.410 0.00 0.000
5 C3 1.710 0.00 0.000
6 IC4 0.181 0.00 0.000
7 NC4 0.239 0.00 0.000
8 IC5 0.069 0.00 0.000
9 NC5 0.071 0.00 0.000
10 NC6 0.054 0.00 0.000
11 NC7 0.061 0.00 0.000
12 H2O 0.000 838.50 1.400
G7 DEHYDRATION
Methods
and Data The system keyword GLYCOL is used to select equilibrium and enthalpy data for the
dehydration calculations. This is a special data package provided in PRO/II specifi-
cally for glycol dehydration systems. The data in this package have been fitted over
a range of typical temperatures and pressures for TEG dehydration systems.
The GLYCOL package is based on TEG solutions which are typically used in
dehydration operations (98+ percent TEG by weight). Note that ideal flowing
densities are selected for the TEG solutions.
Simulation The TEG plant process flowsheet is shown in Figure G7.1. The corresponding PRO/II
Model simulation flow diagram is shown in Figure G7.2.
G7 DEHYDRATION
Figure G7.2
USING TEG
Input Data The standard stream summary is suppressed (Note 1) and a user-defined output
format is used to generate special reports instead (Note 2). Note the tightening of
the trace component tolerance for the recycle streams (Note 3) and the use of the
‘‘Stream Calculator’’ utility module (Note 4) as discussed above.
G7 DEHYDRATION
USING TEG
COMPONENT DATA
LIBID 1,CO2/2,HYSULFID/3,METHANE/4,ETHANE/ &
5,PROPANE/6,IBUTANE/7,BUTANE/8,IPENTANE/ &
9,PENTANE/10,HEXANE/11,HEPTANE/12,H2O/ &
13,TEG
THERMODYNAMIC DATA
STREAM DATA
PROP STREAM=1G,TEMP=80,PRES=720,PHASE=M, &
RATE(GV,FT3/DAY)=39.0e+006, &
COMP(M)=1,1.365/2,1.7/3,88.14/4,6.41/ &
5,1.711/6,0.181/7,0.239/8,0.069/ &
9,0.071/10,0.054/11,0.061,NORMALIZE
PROP STREAM=1W,TEMP=80,PRES=720,PHASE=M, &
COMP(WT,LB/DAY)=12,838.5
PROP STREAM=3,TEMP=130,PRES=720,PHASE=M, &
RATE(LV)=600, &
COMP(WT)=12,1.4/13,98.6,NORMALIZE
PROP STREAM=6,REFS=4,TEMP=170,PRES=50
PROP STREAM=10,REFS=8,TEMP=240,PRES=40
NAME 1G,GAS MIX/1W,WATER MIX/3,LEAN TEG/ &
6,FLASH FEED/10,RICH TO REG/8,FLASH LIQUID/ &
11,OFF GAS/15,MAKEUP TEG/2,DRY GAS/ &
4,RICH TEG/7,FLASH GAS/12,HOT LEAN/ &
1,WET GAS
RATE(GV,FT3/DAY),MW,DENSITY(LB/FT3), &
USING TEG
LIQUID,RATE(LV,GAL/MIN),SPGR, &
DENSITY(LB/FT3)
COLUMN UID=2,NAME=CONTACTOR
PARAM TRAY=3,IO=30
FEED 3,1/1,3,NOTSEP
PROD OVHD=2,4400,BTMS=4
PSPEC TOP=720,DPCOL=0
PRINT PROP=PART,ITER=PART,XYDATA
ESTI MODEL=CONVENTIONAL
COLUMN UID=4,NAME=REGENERATOR
PARAM TRAY=3,IO=30
FEED 10,1,NOTSEP
PROD OVHD=11,10,BTMS=12
DUTY 1,3
PSPEC TOP=0.1,DPCOL=1
PRINT PROP=PART,ITER=PART,XYDATA
ESTI MODEL=CONVENTIONAL
SPEC COLUMN=4,TRAY=3,TEMP, *
VALUE=400
VARY DUTY=1
HX UID=5,NAME=LEAN-RICH 1
HOT FEED=12,L=13,DP=0.1
COLD FEED=8,L=10,DP=10
OPER CTEMP=240
CONFIG TPASS=1,SPASS=1
HX UID=7,NAME=LEAN-RICH 2
HOT FEED=13,L=14,DP=0.1
COLD FEED=5,L=6,DP=10
OPER CTEMP=170
CONFIG TPASS=1,SPASS=1
PROD L=15,PRES=1,TEMP=80
FPROD 1,12,0.0/13,13,1.0
USING TEG
HX UID=10,NAME=COOLER
HOT FEED=16,L=3,DP=10
OPER HTEMP=130
CONFIG TPASS=1,SPASS=1
END
Results The recycle loop converged in three iterations. The regenerator duty is 0.63 MM
Btu/hr, the glycol pump hydraulic horsepower is 4.6 hp and the duties for the
‘‘Lean-Rich 1", ’’Lean-Rich 2", and ‘‘Cooler’’ heat exchangers are 0.25 MM Btu/hr,
0.32 MM Btu/hr, and 0.38 MM Btu/hr respectively. The make-up TEG flowrate is
0.014 Lbmole/hr.
Conclusions The natural gas stream is dehydrated from a water content of 21.5 pounds of water
per MMSCF of gas to 2.8 pounds of water per MMSCF of gas with a 10 gpm lean
TEG flowrate to the contactor. Annual TEG vaporization losses will be approximately
1900 gallons per year based on a 97% operating factor (excluding losses due to
entrainment or upsets in column operation).
Output Partial results are shown below for the simulation input given above. Note the stream
data output printed in the user-defined format for the contactor streams, regenerator
streams, and flash tank streams. The standard component flow report was also
requested, but is not shown.
G7 DEHYDRATION
USING TEG
FEEDS 1G 6
1W
PRODUCTS VAPOR 1 7
LIQUID 8
G7 DEHYDRATION
USING TEG
OPERATING CONDITIONS
OPERATING CONDITIONS
G7 DEHYDRATION
USING TEG
OPERATING CONDITIONS
2 1.000
7 1.000
11 1.000
IN/OUT METHOD 11
COLUMN SUMMARY
IN/OUT METHOD 36
COLUMN SUMMARY
SPECIFICATIONS
G7 DEHYDRATION
USING TEG
========================================================================
======
STREAM ID 1 3 2 4
NAME WET GAS LEAN TEG DRY GAS RICH TEG
PHASE VAPOR LIQUID VAPOR LIQUID
========================================================================
=======
STREAM ID 10 11 12
NAME RICH TO REG OFF GAS HOT LEAN
PHASE MIXED VAPOR LIQUID
========================================================================
======
STREAM ID 6 7 8
NAME FLASH FEED FLASH GAS FLASH LIQUID
PHASE MIXED VAPOR LIQUID
SWEETENING
AMINES
A sour natural gas feed containing 1.37 and 1.70 mole percent CO2 and H2S
respectively is to be sweetened. Your job is to design an amine treating facility to
bring the concentration of the acid gases in 100 MMSCFD of natural gas down to
less than 5 PPM.
Process The flowsheet for this problem is shown in Figure G8.1. The natural gas feed stream
Data information is given in Table G8.1, and the process information in Table G8.21.
Figure G8.1
Natural Gas Sweetening
1. Ball, T., and R. Veldman, “Improve Gas Treating”, Chem. Eng. Prog., vol. 87, pg.
67-72 (1991).
Table G8.1
Feed Stream Information
Component lbmole/hr
G8 GAS
CO2 149.9254
H2S 186.7203
CH4 9680.8887
C2H6 704.0451
C3H8 187.9284
iC4H10 19.8801
nC4H10 26.2507
iC5H12 7.5787
nC5H12 7.7983
C6H14 5.9310
C7H16 6.7000
H2O 4.9745
Table G8.2
Process Information
G8 GAS
The K-values for the system are computed using a special AMINE thermodynamic
and Data data package. This package contains K-values for CO2, H2S, H2O and MEA compo-
SWEETENING
nents, while SRKM is used for the remaining gas components. Liquid enthalpies and
densities are calculated using library values. Vapor phase properties are calculated
from SRKM.
Simulation A 15 weight percent MEA in water solution is used to treat the sour gas. The gas is
Model first contacted with the amine solution in a 6 tray absorber at 250 psig and about 110
F, where virtually all the H2S and CO2 are removed. After passing through the
absorber, the amine solution, now rich in acid gases, is flashed to near atmospheric
pressure by passing through a pressure-reducing valve where the hydrocarbons are
removed. The resulting rich-amine then enters the regenerator, a 12-tray distillation
column, where it is reboiled to release the acid gases, which exit at the top of the
column. The lean-amine solution leaving the bottom of the regenerator is heat
exchanged with the rich-amine solution from the contactor before being sent to a
surge tank. Here, make-up MEA is added. The resulting lean-amine solution is diluted
to 15 % MEA by adding make-up water, and is then air-cooled before being recycled
to the absorber.
Input Data English units are used for the simulation. The regenerator condenser duty is varied
in order to meet a specification on the temperature of the top tray, while the reboiler
duty is varied to meet a specification on the vapor rate for the bottom tray (Note 1).
A STREAM CALCULATOR and a SPLITTER unit are used to model the plant
make-up MEA needed, while a CALCULATOR unit and a specification on the
make-up water splitter unit are utilized to obtain a plant water balance (Note 2). An
initial estimate for the lean-amine recycle rate is given based on an MEA loading of
about 0.5 mole of acid gas per mole of amine. The Wegstein acceleration method is
used with default parameters in order to speed up convergence of the recycle loops.
COMPONENT DATA
LIBID 1,CO2/2,HYSULFID/3,METHANE/4,ETHANE/ &
5,PROPANE/6,IBUTANE/7,BUTANE/8,IPENTANE/ &
9,PENTANE/10,HEXANE/11,HEPTANE/12,H2O/ &
13,MEA
METHODS SYSTEM=AMINE,SET=SET01,DEFAULT
STREAM DATA
G8 GAS
UNIT OPERATIONS
COLUMN UID=CN-1,NAME=CONTACTOR
PARAM TRAY=6,IO=50,DAMP=0.4,ERRINC=2.0
FEED 3,1/1,6
PROD OVHD=2,10700,BTMS=4
PSPEC TOP=250,DP=1
PRINT PROP=PART,ITER=PART,XYDATA
ESTI MODEL=CONVENTIONAL,TTEMP=100, &
BTEMP=110,RTEMP=110
HX UID=HX-1,NAME=AMINE HX1
HOT FEED=9,L=10,DP=0
COLD FEED=6,L=7,DP=0
OPER HTEMP=170
CONFIG TPASS=1,SPASS=1
COLUMN UID=RG-1,NAME=REGENERATOR
PARAM TRAY=12,IO=50,DAMP=0.4,ERRINC=2.0
FEED 7,5,SEPARATE
PROD OVHD=8,400,BTMS=9
G8 GAS
PSPEC TOP=15.5,DPCOL=2
SWEETENING
HEAT 1,12/2,1
PRINT PROP=PART,ITER=PART,XYDATA
SPEC TRAY=1,TEMP,VALUE=120 $NOTE 1
SPEC TRAY=12,PHASE=V,RATE,RATIO,STREAM=9,RATE,VALUE=0.5
VARY DUTY=1,2
SPLITTER UID=SL-1,NAME=SPLITTER
FEED 19
PROD L=10B,L=XMEA
SPEC STREAM=10B,COMP=13,RATE(M), &
RATIO,STRE=20,VALUE=1
HX UID=HXA
HOT FEED=11,L=11C
OPER HTEMP=150
SPLITTER UID=SL-2,NAME=SPLITTER
FEED WAT
PROD L=W1,L=XWAT
SPEC STREAM=W1,COMP=12,RATE(M), & $NOTE 2
DIVIDE,CALCULATOR=CL-1,R(1),VALUE=1
PROD L=3B
OPER PRESS=250,EFF=70
G8 GAS
HX UID=HX-2,NAME=AIR COOLER
HOT FEED=3B,L=3,DP=0
OPER HTEMP=115
CONFIG TPASS=1,SPASS=1
UTIL AIR,TIN=20,TOUT=100
RECYCLE DATA
ACCEL TYPE=WEGS, &
START=2,WEGL=-50
Results The flowsheet converged in 4 recycle iterations. The concentrations of the acid gases
CO2 and H2S were reduced from 1.37 and 1.7 mole percent in the sour gas feed to
less than 1 PPM in the treated effluent gas.
Output: The following data were extracted from the PRO/II output:
1) Absorber Column summary
2) Regenerator Summary
3) Stream Output
SWEETENING
COLUMN SUMMARY 12/22/92
==============================================================================
IN/OUT METHOD 32
COLUMN SUMMARY
==============================================================================
IN/OUT METHOD 50
COLUMN SUMMARY
SPECIFICATIONS
SWEETENING
STREAM MOLAR COMPONENT RATES 12/22/92
==============================================================================
STREAM ID 1 2 3 3B
NAME G7 WET GAS TREATED GAS AMINEH20
PHASE VAPOR VAPOR LIQUID LIQUID
SWEETENING
STREAM MOLAR COMPONENT RATES 12/22/92
==============================================================================
STREAM ID 3C 4 5 6
NAME BOTTOMS H20 FLASH
PHASE LIQUID LIQUID VAPOR LIQUID
==============================================================================
STREAM ID 7 8 9 10
NAME ACID GAS
PHASE MIXED VAPOR LIQUID LIQUID
SWEETENING
STREAM MOLAR COMPONENT RATES 12/22/92
==============================================================================
G9 Steam Power
In many applications today, steam is used as a major source of
Generation Loop
power. In one form of a heat engine model, the working fluid is com-
pletely enclosed and goes through a cyclical process, accomplished
by vaporization and condensation. There are several ways to model
the conversion of heat into work by such power cycles. The Rank-
ine cycle is used to describe power plants that generate saturated
steam. The turbines in such plants are designed so that the mois-
ture formed is removed at various stages of the process.
This gas processing application involves a Rankine cycle steam
power generation loop. You are given the assignment to perform
the calculations to predict the performance of the steam powered en-
gine.
After initial pressurization, water is boiled and superheated, passed
through an expander (producing the shaft work output), and con-
densed using air to cool the exhaust steam back to saturated water.
The task is to establish that, even under several constraints, the sys-
tem can produce a reasonable amount of power relative to the base
charge of flow in the loop. Additionally, needed superheater condi-
tions, overall efficiency, and a heat balance cross check must be de-
termined.
Process Data The flowsheet is shown in Figure G9.1. The feed stream is given in
Table G9.1 and the process information in Table G9.2.
Figure G9.1: Steam Power Generation Loop Flowsheet
EXPANDED
PRESSURIZED SUPERHEATED
EXPANDER FLASHED
PSEUDOFLASH
SUPERHEATER CONDENSER
PRESSURIZER
CONDENSED
CALCULATOR CONTROLLER
Methods The only component present is water. The SRK system is chosen
and Data as it has direct access to the steam tables if the user activates the
water options, decants the water, and sets the decanted water prop-
erties to steam. This sets up an unusual situation. The user has re-
quested that water be decanted as a separate phase leaving nothing
else available for a ‘‘dry’’ basis report. Unusual, but the simulator will
handle it perfectly well by reporting ‘‘not available’’ for the ‘‘dry’’
stream report.
Simulation The charge (given as an initial estimate in the loop) is fed into a
Model pump. The pressurized output enters a heat exchanger (modeling
both the boiler and superheater) in which the hot side is given as a
generated heat source (no process streams given). The super-
heated steam enters an isentropic expander which takes the steam
down to a lower pressure while extracting shaft work.
A flash drum follows the expander. This is not a physical flash,
rather it is a mathematical construct used to determine how much
heat must be added or removed to meet the minimum 99.5% quality
expander exhaust steam constraint. When the feedback control
loop converges, the duty will be zero. In effect, nothing happens as
the feeds flow through the unit.
G9 Steam Power
as the amount of shaft work produced minus shaft work performed
Generation Loop
divided by the duty of the superheater. The second calculation is an
internal cross check of the loop’s energy balance. If the energy bal-
ance is correct, then the ratio of the shaft work to the heat duty
should be unity.
The feedback controller manipulates the number of degrees of su-
perheat in the superheater so that the amount of heat needed in the
pseudoflash mathematical construct is zero. If the specification is
met, then the exhaust stream from the expander has achieved the
quality specification.
The questions arise ‘‘Why use a pseudoflash at all? Why not just
specify the expander exhaust conditions directly?’’ The answer lies
in a chart of exhaust steam quality versus number of degrees of su-
perheat as shown in Figure G9.2.
Figure G9.2: Exhaust Steam Quality vs. Number of Degrees of
Superheat (not to scale)
1
0.8
0.6
0.4
0.2
0
0 500 1000 1500
N u m b e r o f D e g re e s o f S u p e rhe a t
Notice the flat portion of the graph. If the initial estimate for the num-
ber of degrees of superheat is too high, the controller moves in both
directions along the flat portion and determines that the manipulated
variable has no effect in achieving the specification.
Input heat to the pseudoflash versus number of degrees of super-
heat looks quite different as shown in Figure G9.3.
600
400
200
Generation Loop
G9 Steam Power
0
0 200 400 600 800 1000 1200
-200
-400
-800
This function has a monotonic behavior, and the controller can lo-
cate the point at which the needed heat is zero regardless of the
starting point. This approach adds convergence robustness in many
feedback controller problems where the specified variable, or its first
derivative is subject to discontinuities while crossing phase bounda-
ries.
Input Data English units are used throughout the simulation. The keyword input
data file is shown below.
G9 Steam Power
$
Generation Loop
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01
WATER DECANT=ON, SOLUBILITY=SIMSCI, PROPERTY=STEAM
$
STREAM DATA
PROPERTY STREAM=CONDENSED, PRESSURE=15, PHASE=L,COMPOSITION=1,100
NAME CONDENSED,Saturated Liquid/PRESSURIZED,High Pressure Liquid/ &
SUPERHEATED,Superheated Vapor/EXPANDED,Low Pressure Mix/ &
FLASHED,Pseudoflash Output Mix
$
UNIT OPERATIONS
PUMP UID=PRESSURIZER, NAME=Shaft Work Input
FEED CONDENSED
PRODUCT M=PRESSURIZED
OPERATION EFF=78, PRESSURE=1750
$
HX UID=SUPERHEATER, NAME=Heat from Source
COLD FEED=PRESSURIZED, M=SUPERHEATED
$ INITIAL ESTIMATE DEGREES OF SUPERHEAT
$ THIS WILL BE MANIPULATED BY THE CONTROLLER
OPER CDTADEW=500
$
EXPANDER UID=EXPANDER, NAME=Shaft Work Output
FEED SUPERHEATED
PRODUCT V=EXPANDED
OPERATION EFF=86
$ SHAFT WORK OUTPUT MUST BE AT LEAST 349 HP
$ REAL WORK OUTPUT MANDATED AS AT LEAST 300 HP
$ FOR THIS CHARGE OF FLOW
DEFINE PRES AS STREAM=CONDENSED, PRESSURE
$
$ THE PSEUDOFLASH IS BEING USED TO PERFORM A "WHAT IF?"
$ CALCULATION ON THE EXPANDED STREAM. IT SHOULD REQUIRE
$ NO DUTY TO OBTAIN A PRODUCT WHICH IS 99.5% VAPOR
FLASH UID=PSEUDOFLASH, NAME=Mathematical Construct for Controller
FEED EXPANDED
PRODUCT L=FLASHED
SPEC STREAM=FLASHED, VFRAC, VALUE=0.995
$
HX UID=CONDENSER, NAME=Heat to Sink
HOT FEED=FLASHED, M=CONDENSED
UTILITY AIR, TIN=120, TEMPERATURE=200
OPER HLFRAC=1
$
$
$ THE CALCULATOR IS BEING USED TO DETERMINE
$ OVERALL EFFICIENCY (ETA) AND THE HEAT BALANCE
$ IF ETA IS LOW, IT IS MAINLY DUE TO THE MANY
$ CONSTRAINTS UNDER WHICH THIS SYSTEM MUST OPERATE
$ HEAT BALANCE IS EQUAL TO SHAFT WORK OUT MINUS SHAFT WORK IN
$ DIVIDED BY SUPERHEATER DUTY IN MINUS CONDENSER DUTY OUT
$ SHOULD BE EQUAL TO 1 WITHIN ROUNDOFF TOLERANCES
CALCULATOR UID=CALCULATOR, NAME=Efficiency and Balance
RESULT 1,Overall Eta/2,Work to Heat
$ WORK, NORMALLY IN HP, IS CONVERTED TO BTU/HR
DEFINE P(1) AS EXPANDER=EXPANDER, WORK(BTU/H)
DEFINE P(2) AS PUMP=PRESSURIZER, WORK(BTU/H)
$ DUTIES MULTIPLIED BY 1E6 BECAUSE THEY APPEAR AS MM BTU/HR
DEFINE P(3) AS HX=SUPERHEATER, DUTY, TIMES,1E6
DEFINE P(4) AS HX=CONDENSER, DUTY, TIMES,1E6
PROCEDURE
R(1) = ( P(1) - P(2) ) / P(3)
R(2) = ( P(1) - P(2) ) / ( P(3) - P(4) )
RETURN
END
Parameter Value
G9 Steam Power
Shaft Work (Turbine Expander) 307.7 Hp (actual)
Generation Loop
Outlet Steam Quality (Turbine Expander) 99.5%
Cold Side Outlet Temperature (Superheater HX) 1161 F
Eta Efficiency (Efficiency and Balance Calculator) 30.7%
Heat Balance (Efficiency and Balance Calculator) 1 (cross check
matches)
Duty (Pseudoflash Flash) 0
Conclusions In conclusion, the results show that the plant will generate an accept-
able amount of power while maintaining good overall thermodynamic
heat engine efficiency. Furthermore, these conditions will not pro-
duce an exhaust steam output that would result in damage to the tur-
bine blades from suspended water droplets.
Output The flash drum summary output for the pseudoflash is followed by
pump and calculator summary output. Output for the reboiler and
condenser appears in the Heat Exchanger Output section.
Stream data output is shown as generated by both PRO/II and PRO-
VISION.
FEEDS EXPANDED
PRODUCTS FLASHED
Generation Loop
G9 Steam Power
FEEDS SUPERHEATED
PRODUCTS EXPANDED
FEEDS CONDENSED
PRODUCTS PRESSURIZED
G9 Steam Power
---------- ----------
Generation Loop
TEMPERATURE, F MISSING 216.42
PRESSURE, PSIA 1750.00 1750.00
PRESSURE DROP, PSI MISSING 1735.00
---------- ----------
G9 Steam Power
FT MISSING 1.00
LMTD, K MISSING 63.5542
LMTD (ZONE-WEIGHTED), K MISSING MISSING
FT MISSING 1.00
LMTD, K MISSING 27.6965
LMTD (ZONE-WEIGHTED), K MISSING MISSING
G9 Steam Power
Liquid
Generation Loop
PHASE WATER MIXED MIXED WATER WATER VAPOR
Liquid
G9 Steam Power
(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
G9 Steam Power
Temperature(F) 213.404 216.417 1161.352 213.404 213.404
Generation Loop
Pressure (PSIA) 15.000 1750.000 1750.000 15.000 15.000
CURVE
A flash vaporization curve is to be generated for a crude oil mixture as the first step
in the design of a crude unit. The design flow rate of crude is 75,000 BBL/day.
Process Data The light ends, API gravity, D2887 simulated distillation, and molecular weight data
are given in Tables R1.1-R1.4.
Table R1.1
Light Ends
Component LV Percent on
Crude
Ethane 0.1
Propane 1.4
I-Butane 0.65
N-Butane 3.15
N-Pentane 5.1
Table R1.2
API Gravity
8.33 80.01
16.89 62.90
34.80 50.6
55.47 38.2
80.10 27.5
5.74 135
19.55 210
35.89 370
60.04 565
69.82 665
78.38 800
87.94 990
Table R1.4
Molecular Weight Data
Mid Wt Percent MW
18.92 99.5
33.39 135
48.41 184.7
69.80 334.8
100 789
Average 162.9
Methods The simulated distillation at 760 mmHg is represented by the ASTM D2887 option.
and Data A TBPCUTS statement is used to reduce the number of pseudo components, while
allowing enough pseudo components to represent the fractionation. The BK10
thermodynamic system is selected for the calculations. This system is fast and easy
and provides good results for low pressure crude systems. The Grayson-Streed
system may also be used and typically predicts slightly more vaporization. The
transport properties are predicted using the PETRO method.
Simulation The HCURVE unit is used to compute 20 points at even enthalpy increments over
Model the range of temperature and pressure conditions given in Table R1.5
CURVE
Process Conditions
Input Data English units are used for the simulation with standard liquid volumes set as barrels.
Note how the optional molecular weight and API gravity data are provided (only the
average gravity is required) (Note 1) and how the adiabatic flash vaporization curve
for the crude feed is given in the HCURVE statement (Note 2). The TBP option on
the PRINT statement requests the printing of the TBP/ASTM distillations of the crude.
COMPONENT DATA
LIBID 1,ETHANE/2,PROPANE/3,IBUTANE/4,BUTANE/ &
5,PENTANE
TBPCUTS 115,300,6/400,10/650,8/800,4/1500,6
THERMODYNAMIC DATA
STREAM DATA
PROP STREAM=1,TEMP=375,PRES=300,PHASE=M,RATE(V)=3125, &
ASSAY=WT
D2887 STREAM=1, &
DATA=5.74,135/19.55,210/35.89,370/ &
60.04,565/69.82,665/78.38,800/ &
87.94,990
API STREAM=1,AVG=45.37, & $NOTE 1
DATA=8.33,80.01/16.89,62.9/34.8,50.6/ &
55.47,38.2/80.10,27.5
MW STREAM=1,AVG=162.9, &
DATA=18.92,99.5/33.4,135/48.4,184.7/ &
69.8,334.8/100,789
LIGHT STREAM=1,PERCENT(W)=10.4, &
COMP(M)=1,0.1/2,1.4/3,0.65/ &
4,3.15/5,5.1,NORMALIZE
ADIA STREAM=1,TEMP=375,690,&
CURVE
PRES=300,50,POINTS=20
PROP ALL
Output The following data were extracted from the PRO/II output for the crude feed:
1) Adiabatic Flash Curve
2) Petroleum Properties
3) Transport Property Curves
4) Stream Component Flow Rates
5) Stream TBP/ASTM Distillation Curves
CURVE
UNIT 1, ’HC1’, ’HEATING CRV’
---- WEIGHT FLOW RATE ---- MOLECULAR WEIGHT DRY STD SPGR
TEMP PRES VAPOR LIQUID WATER VAPOR LIQUID VAPOR LIQUID
DEG F PSIA M LB/HR (AIR=1.0)
---------------- ---------------- ---------------- ---------------- ---------------- -------------------- ---------------- -------------------- --------------------
375.00 300.000 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
397.85 286.842 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
420.54 273.684 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
442.80 260.526 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
464.65 247.368 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
482.54 240.790 0.00 875.42 0.00 0.00 162.90 0.0000 0.8000
485.06 234.211 7.22 868.20 0.00 69.01 164.76 2.3825 0.8018
502.31 221.053 34.14 841.28 0.00 72.43 171.60 2.5007 0.8081
518.84 207.895 64.61 810.81 0.00 75.91 179.27 2.6209 0.8145
534.72 194.737 98.50 776.91 0.00 79.52 187.87 2.7456 0.8209
549.98 181.579 135.92 739.49 0.00 83.30 197.61 2.8759 0.8273
564.67 168.421 176.91 698.51 0.00 87.25 208.74 3.0123 0.8338
578.86 155.263 221.35 654.07 0.00 91.38 221.60 3.1548 0.8405
592.65 142.105 268.86 606.55 0.00 95.67 236.58 3.3032 0.8472
606.17 128.947 318.79 556.63 0.00 100.12 254.16 3.4569 0.8542
619.59 115.790 370.13 505.29 0.00 104.70 274.80 3.6147 0.8613
633.09 102.632 421.67 453.75 0.00 109.35 298.94 3.7754 0.8686
646.82 89.474 472.16 403.26 0.00 114.04 326.85 3.9374 0.8758
660.90 76.316 520.64 354.78 0.00 118.74 358.59 4.0996 0.8829
675.34 63.158 566.75 308.67 0.00 123.46 394.07 4.2624 0.8898
690.00 50.000 610.93 264.48 0.00 128.25 433.23 4.4280 0.8965
CURVE
TEMP PRES MOLE FRACTION WEIGHT FRACTION DRY LV FRACTION
DEG F PSIA VAPOR LIQUID VAPOR LIQUID VAPOR LIQUID
---------------- ---------------- -------------------- -------------------- -------------------- -------------------- -------------------- --------------------
375.00 300.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
397.85 286.842 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
420.54 273.684 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
442.80 260.526 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
464.65 247.368 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
482.54 240.790 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
485.06 234.211 0.0195 0.9805 0.0082 0.9918 0.0105 0.9895
502.31 221.053 0.0877 0.9123 0.0390 0.9610 0.0487 0.9513
518.84 207.895 0.1584 0.8416 0.0738 0.9262 0.0903 0.9097
534.72 194.737 0.2305 0.7695 0.1125 0.8875 0.1351 0.8649
549.98 181.579 0.3036 0.6964 0.1553 0.8447 0.1831 0.8169
564.67 168.421 0.3773 0.6227 0.2021 0.7979 0.2344 0.7656
578.86 155.263 0.4508 0.5492 0.2528 0.7472 0.2888 0.7112
592.65 142.105 0.5229 0.4771 0.3071 0.6929 0.3457 0.6543
606.17 128.947 0.5925 0.4075 0.3642 0.6358 0.4045 0.5955
619.59 115.790 0.6578 0.3422 0.4228 0.5772 0.4639 0.5361
633.09 102.632 0.7175 0.2825 0.4817 0.5183 0.5226 0.4774
646.82 89.474 0.7704 0.2296 0.5394 0.4606 0.5792 0.4208
660.90 76.316 0.8159 0.1841 0.5947 0.4053 0.6328 0.3672
675.34 63.158 0.8542 0.1458 0.6474 0.3526 0.6830 0.3170
690.00 50.000 0.8864 0.1136 0.6979 0.3021 0.7304 0.2696
CURVE
TRANSPORT PROPERTIES FOR STREAM 1 - DRY
STREAM ID 1
NAME CRUDE FEED
PHASE LIQUID
TEMPERATURE, F 375.0000
PRESSURE, PSIA 300.0000
ENTHALPY, MM BTU/HR 237.5047
MOLECULAR WEIGHT 162.8985
MOLE FRAC VAPOR 0.0000
MOLE FRAC LIQUID 1.0000
CURVE
STREAM TBP/ASTM CURVES - DEG F FEBRUARY 1992
==============================================================================
STREAM ID 1
NAME CRUDE FEED
TBP AT 760 MM HG
0 LV PERCENT -52.728
5 36.827
10 94.514
30 330.342
50 475.955
70 669.834
90 1033.829
95 1186.806
100 1456.451
TBP AT 10 MM HG
0 LV PERCENT -170.897
5 -104.347
10 -60.875
30 121.942
50 239.095
70 400.439
90 721.102
95 863.304
100 1125.603
ASTM D86 AT 760 MM HG
0 LV PERCENT -20.756
5 71.901
10 131.588
30 340.571
50 470.536
70 647.826
90 993.468
95 1123.351
100 1352.291
ASTM D1160 AT 760 MM HG
0 LV PERCENT -8.427
5 57.520
10 100.156
30 335.995
50 475.955
70 669.834
90 1033.829
95 1186.806
100 1456.451
R2 DE-IC4 TOWER
Process The flow sheet is shown in Figure R2-1.
Data
Figure R2.1
Deisobutanizer Column
Table R2.1
Feed Stream Composition
Component Feed
(LV %)
R2 DE-IC4 TOWER
C3 1.4
iC4 33.8
nC4 64.6
iC5 0.2
Table R2.2
Process Conditions
Methods and The Grayson-Streed method has been chosen to calculate K-values. Most hydro-
Data carbon refinery simulations with components ranging from propane through gas oils
are handled well with the Grayson-Streed method. Lee-Kesler enthalpies are used
since these are in good agreement with API data book enthalpy procedures.
Lee-Kesler densities are quite satisfactory for hydrocarbon systems up to about C10
carbon number.
Simulation The column is modeled as an ordinary distillation column with 66 theoretical stages
Model including the condenser and reboiler. The feed is introduced on tray 35. The
condenser is modeled as a total condenser at a temperature 10 F below the
calculated bubble point. The reboiler and condenser duties are varied to meet the
specifications.
R2 DE-IC4 TOWER
DIME ENGLISH, LIQV=BBL
PRINT MBAL
COMPONENT DATA
LIBI 1,PROPANE/2,IBUTANE/3,BUTANE/4,IPENTANE
THERMODYNAMIC DATA
METHOD SYSTEM=GS, ENTHALPY=LK
STREAM DATA
PROP STREAM=1,TEMP=140,PRES=200,RATE(V)=630,*
COMP(V)=1.4/33.8/64.6/0.2
NAME 1,FEED/2,OVERHEAD/3,BOTTOMS
UNIT OPERATIONS DATA
COLUMN UID=T-1,NAME=DEISOBUT
PARA TRAY=66,IO=35
FEED 1,35
PROD OVHD=2,BTMS=3,1200
COND TYPE=DTBB,DT=10,PRES=140
PSPE TOP=145,DPCOL=8.5
HEAT 1,1/2,66
SPEC STREAM=2,RATE(V),RATION,STREAM=1,VALUE=0.25
SPEC TRAY=1,PHASE=L,RATE(V),RATION,STREAM=1,VALUE=4.5
VARY HEAT=1,2
ESTI MODEL=CONVENTIONAL,RRATIO=10
PRIN ITER=NONE,PROP=BRIEF
HCURVE UID=H1,NAME=C_C_CURVE
ISO COLUMN=T-1,HEAT=1
END
Input Data Standard English units have been chosen and LIQV=BBL in order to change the
default liquid volume units of FT3 to BBL (barrels).
Output The following data were extracted from the PRO/II output:
1) Column summary
2) Condenser HCURVE
3) Stream molar flow rates
IN/OUT METHOD 3
COLUMN SUMMARY
R2 DE-IC4 TOWER
R2 DE-IC4 TOWER
48 167.8 151.11 12696.8 11044.0
49 168.1 151.24 12694.2 11042.2
50 168.3 151.37 12690.9 11039.6
51 168.7 151.51 12686.6 11036.2
52 169.0 151.64 12681.5 11031.9
53 169.4 151.77 12675.4 11026.8
54 169.8 151.91 12668.4 11020.7
55 170.2 152.04 12660.4 11013.7
56 170.7 152.17 12651.5 11005.7
57 171.2 152.30 12641.7 10996.8
58 171.7 152.44 12631.2 10987.1
59 172.3 152.57 12620.0 10976.5
60 172.9 152.70 12608.2 10965.3
61 173.5 152.84 12596.0 10953.5
62 174.2 152.97 12583.5 10941.3
63 174.8 153.10 12570.8 10928.8
64 175.5 153.23 12557.9 10916.1
65 176.2 153.37 12544.3 10903.2
66 176.9 153.50 10889.7 1654.7L 77.8945
SPECIFICATIONS
R2 DE-IC4 TOWER
148.90 144.750 1.0000 0.0000 1.0000 0.0000 1.0000 0.0000
147.45 144.500 0.4201 0.5799 0.4175 0.5825 0.4184 0.5816
145.88 144.000 0.0843 0.9157 0.0832 0.9168 0.0836 0.9164
145.30 143.750 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
144.30 143.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
142.73 143.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
141.15 142.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
139.58 142.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
138.00 141.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
136.43 141.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
134.85 140.500 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
133.28 140.000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000
R3 CRUDE OIL
DISTILLATION
Figure R3.1
Crude Distillation Column
Process Data For this simulation, the stripping stream and pumparound cooling shown on Figure
R3.1 are used.
DISTILLATION
R3 CRUDE OIL
The crude oil has been analysed as an atmospheric TBP curve and defined lightend
components as shown in Table R3.2.
Table R3.2
CRUDE OIL DATA
n-Pentane 1.2
The laboratory data for the TBP curve are supplied only up to the 80% point. A
typical value is assumed for the 100% point to assist the extrapolation of the curve.
Simulation The first step in the simulation is to ensure that it is possible to produce the specified
Model products from the crude oil feed and establish the material balance. The multidraw
(Shortcut) shortcut distillation model (MODEL = REFINE) is a quick and easy tool for these
R3 CRUDE OIL
calculations. This model uses the Fenske calculation method and considers the
column to be a series of two-product columns as shown in Figure R3.2. The
DISTILLATION
condenser is simulated with an external flash drum.
The specifications chosen for the shortcut model define the separation in each
section. For this simulation, the 95% distillation points and 5-95% gaps are used.
The data are taken from Table R3.1.
5% and 95% points should always be used instead of initial and end points, as they
are generally more accurate. The simulated end points are affected by the number
of petroleum cuts, the parameter TBPEP (on the ASSAY statement in Component
Data) which defaults to 98%, and the Fenske model itself, which tends to overfrac-
tionate on the product tails. In addition, the shortcut simulation ignores the side-
strippers which also affect the ends of the curves.
Figure R3.2
Shortcut Crude Unit Model
Input Data The simulation units are defined as English but with pressure as psig and liquid
(Shortcut) volumes in barrels. As crude oil has no defined components, the component flow
rate output is suppressed, and only the stream summary is printed. The PRINT TBP
option gives the TBP and ASTM curves for all hydrocarbon streams.
It is not known whether or not there will be any vapor product from the column. As
there may be vapor, the condenser is defined as mixed phase at the defined
temperature.
The MODEL=REFINE option specifies no reflux between sections in the column.
The default would assume total reflux between the sections. The product rate
estimates are supplied as volume percent cutpoints on the crude oil feed.
DISTILLATION
R3 CRUDE OIL
TITLE PROBLEM=R3S,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMEN PRESS=PSIG,LIQV=BBL
PRINT STREAM=SUMMARY,TBP
COMPONENT DATA
LIBID 1,H2O/2,C2 /3,C3 /4,IC4/5,NC4/6,IC5/7,NC5
THERMODYNAMIC DATA
METHODS SYSTEM=GS,COND=PETR,VISC(V)=PETR,VISC(L)=API
STREAM DATA
PROP STREAM=1,TEMP=450,PRES=14,RATE(V)=5000,ASSAY=LV
TBP STREAM=1,PRES(MMHG)=760,&
DATA=3,97/5,149/10,208/20,330/30,459/40,590/&
50,690/60,770/70,865/80,980/100,1600
API STREAM=1,AVG=29.2
LIGHT STREAM=1,PERCENT(V)=3,&
COMP(V)=2,0.1/3,0.2/4,0.3/5,0.7/6,0.5/7,1.2
PROP STREAM=WATR,TEMP=600,PRES=60,PHASE=V,COMP(W)=20000
NAME 1,CRUDE FEED/9,NAPHTHA/10,KEROSENE/11,DIESEL/&
12,GAS OIL/20,TOPPED CRUDE
UNIT OPERATIONS
SHORTCUT UID=SC01,NAME=CRUDE TOWER
FEED 1,WATR
PROD STREAM=89,PHASE=M,PRESS=8.5,CUTP(V)=25
PROD STREAM=10,PHASE=L,CUTP(V)=40,PRES=11.8
PROD STREAM=11,PHASE=L,CUTP(V)=55,PRES=12.5
PROD STREAM=12,PHASE=L,CUTP(V)=75,PRES=13.3
PROD STREAM=20,PHASE=L,PRES=14.4
COND TYPE=MIXED,TEMP=110
EVAL MODEL= REFINE
R3 CRUDE OIL
DISTILLATION
Output The shortcut column results are shown on the next page. The shortcut model
(Shortcut) predicts the minimum number of trays, calculated at total reflux, needed to meet the
specified separations. Typical values for crude oil separations for each column
section are shown in Table R3.3.
Table R3.3
TYPICAL SHORTCUT TRAYS
As long as the shortcut model reports figures within these ranges, the separations
will be feasible. Significant departures from these values mean a difficult, if not
impossible, separation.
The simulation predicted no overhead vapor at the desired condenser conditions.
This is not unusual for crude unit simulations because some lightends may have
been lost in sampling the crude oil, or because lightends produced by cracking in
the furnace are not included in the simulation model.
Once the shortcut model is solved, the material balance is defined. If difficulties
occur solving the rigorous model, then the heat balance is likely to be at fault.
FEEDS
STREAM PHASE
------------ ------------
1 MIXED
WATR VAPOR
PRODUCTS
SPECIFICATIONS
R3 CRUDE OIL
DISTILLATION
Figure R3.3
Rigorous Crude Unit Model
As for the shortcut simulation, 5% and 95% points are used in preference to initial
R3 CRUDE OIL
Input Data The dimensional units and printout options for the rigorous simulation are the same
(Rigorous) as were used in the shortcut model. The steam feeds are now fed to the bottom of
the main column and to the sidestrippers.
The column is defined as a refinery unit, and a damping factor of 0.8 is automatically
applied to the IO solution method. This damping assists in the convergence of this
type of column.
The sidestrippers are entered as separate units, but PRO/II solves them simultane-
ously with the main column.
The column feed temperature is not calculated until after the column has been
converged.
TITLE PROBLEM=R3R,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMEN PRES=PSIG,LIQV=BBL
PRINT STREAM=SUMMARY,TBP
COMPONENT DATA
LIBID 1,H2O/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5
THERMODYNAMIC DATA
METHODS SYSTEM=GS,COND=PETR,VISC(V)=PETR,VISC(L)=API
STREAM DATA
PROP STREAM=1,TEMP=450,PRES=14,PHASE=L,RATE(V)=5000,ASSAY=LV
TBP STREAM=1,PRES(MMHG)=760,&
DATA=3,97/5,149/10,208/20,330/30,459/40,590/&
R3 CRUDE OIL
50,690/60,770/70,865/80,980/100,1600
API STREAM=1,AVG=29.2
DISTILLATION
LIGHT STREAM=1,PERCENT(V)=3,&
COMP(V)=2,0.1/3,0.2/4,0.3/5,0.7/6,0.5/7,1.2
PROP STREAM=2,TEMP=600,PRES=60,PHASE=V,RATE(W)=10000,&
COMP=1,100
PROP STREAM=3,TEMP=600,PRES=60,PHASE=V,RATE(W)=1500,&
COMP=1,100
PROP STREAM=4,TEMP=600,PRES=60,PHASE=V,RATE(W)=4500,&
COMP=1,100
PROP STREAM=5,TEMP=600,PRES=60,PHASE=V,RATE(W)=4000,&
COMP=1,100
NAME 1,CRUDE FEED/9,NAPHTHA/10,KEROSENE/11,DIESEL/&
12,GAS OIL/20,TOPPED CRUDE
UNIT OPERATIONS
COLUMN UID=COL1,NAME=CRUDE TOWER
PARAM TRAY=20,DAMP=0.8
FEED 1,18/ 2,20/ 18,15/ 16,11/ 14,7
COND TYPE=TFIX,TEMP=110
PROD OVHD=9,2879,WATER=7,1,1105,BTMS=20,&
LDRAW=15,8,1047/17,12,575/19,16,715
DUTY 1,1/2,18/3,13,-40/4,9,-50/5,2,-50
VARY DUTY=1,2
PA FROM=14,TO=13,PHASE=L,TEMP=450
PA FROM=10,TO=9,PHASE=L,TEMP=310
PA FROM=3,TO=2,PHASE=L,TEMP=175
PRESS 1,5.3/2,8.5/18,12.5/20,13.0
ESTI MODEL=REFINERY
SPEC COLUMN=COL1,TRAY=17,PHASE=L,RATE(V),RATIO,&
STREAM=1,VALUE=0.03
SPEC STREAM=9,D86(95),VALUE=340
SIDESTRIPPER UID=SS01,NAME=KERO STRIP
PARAM TRAY=2
R3 CRUDE OIL
90 314 315 500 499 646 648 816 817
DISTILLATION
95 340 340 520 520 665 665 842 842
100 376 367 559 562 700 696 890 884
Bbl/hr 1090 1083 642 612 477 525 798 699
Results The simulation shows that the column can be operated to produce the required
products. The yield of each product is shown in the output. The pumparound rates,
furnace and condenser duties have also been calculated along with the actual
temperature of the oil leaving the furnace.
The flash output below shows that the furnace outlet temperature is 694.5 F, while
DISTILLATION
Output The column summaries show the output for the main column and the sidestrippers.
(Rigorous) Tables may also be produced with vapor and liquid rates, densities and transport
properties, but these are not presented here.
The stream component output was suppressed and only the stream summaries are
printed. A sample of the stream summary is show for both wet and dry basis
properties. Part of the distillation curve output is shown for the feed and some
product streams. All pure water streams are omitted from this output.
Finally, a comparison is presented of the analyses of the shortcut and rigorous
products.
FEEDS 1
PRODUCTS MIXED 1A
TEMPERATURE, F 695.117
PRESSURE, PSIG 12.500
PRESSURE DROP, PSI 1.500
MOLE FRAC VAPOR 0.77043
MOLE FRAC TOTAL LIQUID 0.22957
MOLE FRAC H/C LIQUID 0.22957
MOLE FRAC FREE WATER 0.00000
DUTY, MM BTU/HR 291.79562
FLASH TYPE ADIABATIC-P
IN/OUT METHOD 14
COLUMN SUMMARY
R3 CRUDE OIL
1 110.0 5.30 2424.1 2875.9L -135.2194
1077.6W
DISTILLATION
2 274.3 8.50 9778.5 6377.6 -50.0000
3 311.4 8.75 5091.8 8713.7
4 339.1 9.00 5017.3 9045.3
5 355.3 9.25 4849.2 8970.8
6 368.6 9.50 4573.5 8802.6
7 383.7 9.75 4122.9 8527.0 457.8V
8 406.1 10.00 2284.7 7618.6 1248.2L
9 438.6 10.25 6078.8 7028.5 -50.0000
10 471.1 10.50 3374.3 8300.2
11 503.9 10.75 2947.3 8118.1 437.2V
12 533.0 11.00 1664.0 7254.0 829.4L
13 562.7 11.25 3871.8 6800.0 -40.0000
14 592.8 11.50 2170.2 7455.4
15 619.5 11.75 1806.0 7306.2 164.9V
16 642.8 12.00 486.2 6777.1 771.5L
17 673.5 12.25 132.6 6228.8
18 693.5 12.50 1598.0 5875.2 6548.3M 291.7956
19 690.2 12.75 1477.6 792.3
20 684.4 13.00 671.8 555.1V 1360.9L
SIDESTRIPPER SS01
SIDESTRIPPER SS02
SIDESTRIPPER SS03
SIDESTRIPPER SS01
SIDESTRIPPER SS02
SIDESTRIPPER SS03
PUMPAROUNDS
SPECIFICATIONS
R3 CRUDE OIL
DISTILLATION
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
STREAM ID 10 11 12 14
NAME KEROSENE DIESEL GAS OIL
PHASE WET LIQUID WET LIQUID WET LIQUID WET VAPOR
R3 CRUDE OIL
ACENTRIC FACTOR 0.5145 0.6311 0.7448 0.4487
WATSON K (UOPK) 11.733 11.732 11.732 11.744
DISTILLATION
STD LIQ DENSITY, LB/BBL 287.626 303.238 316.124 279.177
SPECIFIC GRAVITY 0.8214 0.8660 0.9028 0.7973
API GRAVITY 40.765 31.896 25.235 45.978
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
TBP AT 760 MM HG
0 LV PERCENT -5.793 -5.793 -82.191 242.064
5 147.566 147.566 42.967 340.412
10 208.225 208.225 93.091 360.880
30 459.057 459.057 171.290 401.007
50 689.818 689.818 217.790 434.658
70 864.505 864.505 269.335 471.151
90 1240.591 1240.591 331.246 520.628
95 1414.367 1414.367 352.148 542.111
100 1547.776 1547.776 375.169 583.764
TBP AT 10 MM HG
DISTILLATION
Process Data The flow sheet for the column is given in Figure R4.1. The column is in two sections,
each with a total draw and a pumparound returning cooled liquid to the top of the
section. The slop wax is part of the heavy gas oil draw which is mixed with the feed
before it enters the furnace.
Table R4.1 shows the analysis of the topped crude feed to the unit. The steam feed
is at 355 C and 8500 mm Hg.
The product balance for the test run is shown in Table R4.2. Measured temperatures
and pressures for the column are listed in Table R4.3.
R4 VACUUM
COLUMN
Figure R4.1
Vacuum Column Flow Sheet
Table R4.2
PRODUCT BALANCE
Table R4.3
COLUMN DATA
Methods The BK10 thermodynamic system is recommended for K-value, enthalpy and density
and Data calculations for refinery vacuum units. The PETRO option is selected to calculate
thermal conductivity and liquid viscosity. The API method generally gives the best
prediction of liquid viscosity for heavy hydrocarbon systems.
The ASTM D1160 distillation data at 2 mm Hg are used directly by specifying the
measurement pressure on the D1160 statement. The data are only available up to
the 75% point on the curve. Measured data rarely go beyond this and the program
extrapolates to the 100% point. The extrapolated portion of the curve makes up most
of the bottom product, and any inaccuracies will mainly affect the bottoms tempera-
ture.
This example uses the minimum assay data which are the distillation curve and
average gravity. Results may be improved by entering gravity and/or molecular
weight curves if available.
Simulation The column is modeled as a refinery column with 7 theoretical trays as shown in
Model Figure R4.2. Each packed section is assumed to be 2 theoretical trays. The number
of trays may also be obtained from a previous shortcut simulation. Tray 6 represents
the furnace and flash zone where the slop wax and fresh feed are mixed and heated.
R4 VACUUM
The furnace is included in the column model to calculate the duty and ensure that a
heat balance is obtained. The slop wax stream is the liquid runback from the tray
COLUMN
above the flash zone.
The temperature of the feed from the furnace will not be the same as the flash zone
temperature. It is calculated in a separate flash drum by adding the furnace duty to
the feed and the slop wax streams.
Thermal cracking usually occurs in the furnace, producing some light gases. The
only effect of these is on the temperature at the top of the column, and it can be
ignored unless this temperature is important. For this simulation, we will match the
top temperature by adding a small quantity of ethane and propane to the feed to
represent the cracked gases. A shortcut model may be used to adjust the amount
of light gases to match the conditions at the top of the column.
Trays 2 and 5 are total draws with all the liquid (except for the slop wax from tray 5)
going to the pumparounds and products. These are modeled by specifying the liquid
from tray 2 at a very small value and that from tray 5 as the actual slop wax rate into
the flash zone.
When modeling an existing column, the most reliable measured data should be used
for the specifications. Less reliable data can be compared with the calculated results.
The reliability of the measured pumparound rates is suspect, but the return tempera-
tures are thought to be reasonably accurate. Therefore, the pumparound return
temperatures are entered and the corresponding rates calculated.
The other specifications in this simulation are the volumetric rates of the HVGO and
RESID and the top tray temperature. The variables are the three duties and the side
draw molar rates.
Figure R4.2
Simulation Model for Vacuum Unit
R4 VACUUM
UNIT OPERATIONS
COLUMN
MIXER UID=M1,NAME=FEED MIX
FEED R1A,R1B,R1C
PROD M=R1
COLUMN UID=C1,NAME=VAC COLUMN
PARAM TRAY=7,DAMP=0.6
FEED R1,6/W1,7
PROD OVHD=V1,BTMS=V4,80,LDRAW=V2,2,25/V3,4,120
TFLOW NET(L)=SLOP,5
HEAT 1,6/2,1/3,3
PA FROM=2,TO=1,PHASE=L,TEMP=49
PA FROM=4,TO=3,PHASE=L,TEMP=166
PRESS 1,74/6,98/7,115
ESTI MODEL=REFINERY
SPEC STREAM=V3,RATE(V),DRY,VALUE=41.34
SPEC STREAM=V4,RATE(V),DRY,VALUE=50.88
SPEC COLUMN=C1,TRAY=5,PHASE=L,RATE(V),VALUE=3.5
SPEC COLUMN=C1,TRAY=2,PHASE=L,RATE,VALUE=0.1
SPEC COLUMN=C1,TRAY=1,TEMP,VALUE=67
VARY HEAT=1,2,3,DRAW=V2,V3
FLASH UID=FL1,NAME=FEED TEMP
FEED R1,SLOP
PROD M=R2
DEFINE PRES AS COLUMN=C1,TRAY=6,PRES
DEFINE DUTY AS COLUMN=C1,DUTY(1)
END
Output The result of the feed temperature calculation is shown on the flash output below.
The temperature of the feed stream is 371.3 C compared with the flash zone
temperature of 368.7 C shown on the column summary.
The column summary output shows the pumparound duties and rates as well as all
the tray flowrates, temperatures and pressures. A range of other tray properties is
available.
The extract from the stream summary output shows the properties for the product
streams. Part of the distillation curve output is also shown.
FEEDS R1
SLOP
PRODUCTS MIXED R2
TEMPERATURE, C 370.215
PRESSURE, MM HG 98.000
PRESSURE DROP, MM HG -4.800
MOLE FRAC VAPOR 0.65078
MOLE FRAC TOTAL LIQUID 0.34922
MOLE FRAC H/C LIQUID 0.34922
MOLE FRAC FREE WATER 0.00000
DUTY, M*KCAL/HR 4.83436
FLASH TYPE ADIABATIC-P
IN/OUT METHOD 15
COLUMN SUMMARY
R4 VACUUM
TYPE STREAM PHASE FROM TO LIQUID FLOW RATES HEAT RATES
COLUMN
TRAY TRAY FRACTION KG-MOL/HR M*KCAL/HR
------------- ------------ ------------ -------- -------- ---------------- ------------------------ ------------------------
FEED R1 MIXED 6 0.5640 264.79 21.9380
FEED W1 VAPOR 7 0.0000 50.40 0.6863
PRODUCT V1 VAPOR 1 103.30 0.9127
PRODUCT WATER 1 0.0000
PRODUCT V2 LIQUID 2 25.19 0.7001
PRODUCT V3 LIQUID 4 107.64 7.4091
PRODUCT V4 LIQUID 7 79.06 12.2471
PUMPAROUNDS
STREAM ID V1 V2 V3 V4
NAME OVERHEAD LVGO HVGO VAC RESID
PHASE WET VAPOR WET LIQUID WET LIQUID WET LIQUID
STREAM ID V1 V2 V3 V4
NAME OVERHEAD LVGO HVGO VAC RESID
PHASE WET VAPOR WET LIQUID WET LIQUID WET LIQUID
R4 VACUUM
K*KG/HR 1.203 N/A N/A N/A
COLUMN
K*M3/HR 10.128 N/A N/A N/A
STD VAP RATE(1), K*M3/HR 0.792 N/A N/A N/A
SPECIFIC GRAVITY (AIR=1.0) 1.176 N/A N/A N/A
MOLECULAR WEIGHT 34.053 N/A N/A N/A
Z (FROM K) 1.0000 N/A N/A N/A
CP, KCAL/KG-C 0.457 N/A N/A N/A
DENSITY, KG/K*M3 118.792 N/A N/A N/A
THERMAL COND, KCAL/HR-M-C 0.02193 N/A N/A N/A
VISCOSITY, CP 0.01035 N/A N/A N/A
TBP AT 760 MM HG
0 LV PERCENT 262.930 285.041 399.051
5 266.107 348.311 466.913
10 270.492 371.877 501.428
30 290.453 396.387 558.722
50 312.817 424.876 628.653
70 343.434 452.304 706.839
90 390.743 503.916 904.684
95 402.607 526.842 925.126
100 443.717 559.285 925.126
TBP AT 10 MM HG
0 LV PERCENT 128.385 146.610 242.927
5 130.995 199.567 302.196
10 134.602 219.606 332.918
30 151.093 240.630 384.802
50 169.709 265.307 449.673
70 195.442 289.310 524.293
90 235.772 335.148 723.662
95 245.996 355.794 745.177
100 281.769 385.317 745.177
ASTM D86
0 LV PERCENT 280.257 327.881 450.390
R4 VACUUM
COLUMN
Process Data The new operation product slate for the 15,000 barrels/day design basis charge is
shown in Tables R5.1 and R5.2. The column feed is the FCC reactor effluent which
is synthesized by blending these product streams together with the 3000 lb/hr of
reactor stripping steam.
FRACTIONATOR
R5 FCC MAIN
Figure R5.1
Fractionator Column
H2S 246 - - -
CO2 317 - - -
N2 545 - - -
C1 3935 - - -
C2= 4218 - - -
C2 3290 - - -
Table R5.3
FRACTIONATION SPECIFICATIONS
Table R5.4
PUMPAROUND INFORMATION
FRACTIONATOR
R5 FCC MAIN
Top 20 - 225
Middle 10 - 450
Bottom - 12,000 -
The main fractionator is sized for single pass valve trays on 24-inch spacings at
75% of flood. The actual column contains 24 trays, not counting the baffles in the
quench zone.
The sidestripper has eight actual trays and is represented by two trays for the
simulation.
Methods The BK10 thermodynamic system is used for the K-values, enthalpies and vapor
and Data densities. This system works well for main fractionators. The API correlation is used
for the liquid viscosity predictions.
In this simulation, we have a complete distillation profile for the slurry oil. An
accurate characterization of the slurry is important because its bubble point (column
bottom temperature) is normally used as a control parameter. In operating units,
slurry data are often incomplete, and a shortcut model of the bottom section of the
column may be used to develop the slurry oil data.
Figure R5.2
Simulation Model of Fractionator Column
Input Data The simulation is carried out in English units with pressure changed to psig and
liquid volumes in barrels. The stream summary is requested but the component flow
rates are suppressed. The distillation curves are produced for all streams which
contain hydrocarbons. All the products from the process are defined in the Stream
Data Section and then blended in the flash to obtain the column feed.
The DAMP=0.8 option with the PARAMETER statement is recommended for FCC
fractionators to improve the convergence of the calculations. By default, the
Inside-Out (IO) solution algorithm is used.
The sidestripper is entered as a separate unit operation, but it is combined with the
main column and solved simultaneously with it.
FRACTIONATOR
R5 FCC MAIN
D86 STREAM=1E,PRES(MMHG)=760,&
DATA=0,370/5,470/10,512/30,567/50,601/&
70,637/90,694/95,723/100,745
API STREAM=1E,AVG=18.4
PROP STREAM=1F,TEMP=980,PRES=35,PHASE=V,RATE(V)=83.54,ASSAY=LV
TBP STREAM=1F,PRES(MMHG)=760,&
DATA=0,483/5,705/10,777/30,879/50,976/&
70,1080/90,1250/95,1391/100,1439
API STREAM=1F,AVG=8.1
PROP STREAM=S1,PRES=150,PHASE=V,RATE(W)=500,COMP=1,100
PROP STREAM=S2,PRES=150,PHASE=V,RATE(W)=500,COMP=1,100
NAME S1,MF STEAM/S2,STRP STEAM/1,REACTOR EFF/2,OVERHEAD GAS/&
3,GASOLINE/4,OVHD WATER/6,LCO DRAW/7,LCO/8,SLURRY OIL
UNIT OPERATIONS
FLASH UID=M1,NAME=FEED MIX
FEED 1A,1B,1C,1D,1E,1F
PROD V=1
FRACTIONATOR
R5 FCC MAIN
Results The column can meet the new service provided that the pumparound cooler duties
shown on the column summary are available.
The largest tray is the draw tray for the top pumparound at 126 inches diameter. If
the existing column is less than this, then the throughput must be reduced to avoid
flooding in the top section.
Output The column summaries for the main fractionator and light cycle oil stripper are
shown. The tray sizing results for the main fractionator show the required diameter
of each tray. The column is rated with the largest required standard tray size, and
the output shows the flooding factor for each tray.
Selections of the stream summary output and the distillation curve printout are
shown.
IN/OUT METHOD 7
COLUMN SUMMARY
2419.2M
SIDESTRIPPER T2
SIDESTRIPPER T2
PUMPAROUNDS
SPECIFICATIONS
FRACTIONATOR
R5 FCC MAIN
PARAMETER TRAY COMP SPECIFICATION SPECIFIED CALCULATED
TYPE NO NO TYPE VALUE VALUE
----------------- -------- ------------ ------------------------- -------------------- --------------------
TRAY LIQ 1 TEMPERATURE 1.200E+02 1.200E+02
STRM 8 14 VOL RATE 8.410E+01 8.410E+01
STRM 3 1 D86 EP 4.500E+02 4.500E+02
STRM 7 16 D86 EP 7.400E+02 7.400E+02
TRAY VAPOR LIQUID VLOAD ---- DESIGN ---- NEXT SMALLER NEXT LARGER NP
CFS HOTGPM CFS DIA, IN FF DIA, IN FF DIA, IN FF
-------- --------- ------------ --------- ------------- -------- ------------- -------- ------------- -------- ----
2 159.5 49.7 11.98 83.7 75.0 78. 87.1 84. 74.5 1
3 200.6 877.4 16.20 118.1 75.0 114. 80.4 120. 72.8 1
4 217.8 994.5 18.42 127.2 75.0 126. 76.4 132. 69.9 1
5 217.7 345.3 18.58 110.3 75.0 108. 78.2 114. 70.2 1
6 213.6 321.5 18.06 108.3 75.0 108. 75.4 114. 67.7 1
7 203.7 262.3 16.69 103.0 75.0 102. 76.5 108. 68.2 1
8 194.7 159.8 14.70 94.9 75.0 90. 83.6 96. 73.2 1
9 190.6 41.8 13.75 89.5 75.0 84. 85.7 90. 74.1 1
10 203.1 381.8 15.07 101.5 75.0 96. 83.9 102. 74.3 1
11 206.0 397.7 15.45 103.0 75.0 102. 76.5 108. 68.3 1
12 203.2 92.7 15.08 94.7 75.0 90. 83.4 96. 72.9 1
13 198.8 42.3 14.10 90.6 75.0 90. 76.0 96. 66.4 1
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, IN
CFS HOTGPM CFS IN PSI GPM/IN CLEAR LIQD
-------- --------- ------------ --------- -------- -------- ---- ------------ ------------- --------------------
2 159.5 49.7 11.98 132. 33.0 1 0.057 0.6 4.48
3 200.6 877.4 16.20 132. 61.5 1 0.116 10.3 11.53
4 217.8 994.5 18.42 132. 69.9 1 0.131 11.7 13.28
5 217.7 345.3 18.58 132. 56.8 1 0.104 4.1 7.63
6 213.6 321.5 18.06 132. 55.0 1 0.100 3.8 7.34
7 203.7 262.3 16.69 132. 50.0 1 0.090 3.1 6.63
8 194.7 159.8 14.70 132. 42.5 1 0.076 1.9 5.56
9 190.6 41.8 13.75 132. 37.5 1 0.064 0.5 4.56
10 203.1 381.8 15.07 132. 48.1 1 0.095 4.5 7.09
FRACTIONATOR
R5 FCC MAIN
11 206.0 397.7 15.45 132. 49.5 1 0.097 4.7 7.28
12 203.2 92.7 15.08 132. 42.2 1 0.075 1.1 5.19
13 198.8 42.3 14.10 132. 38.5 1 0.066 0.5 4.63
STREAM ID 5 6 7 8
NAME LCO DRAW LCO SLURRY OIL
PHASE WET VAPOR WET LIQUID WET LIQUID WET LIQUID
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
FRACTIONATOR
R5 FCC MAIN
------------ DRY LIQUID ------------
RATE, LB-MOL/HR N/A 142.640 128.675 68.720
M LB/HR N/A 30.429 28.425 29.826
BBL/HR N/A 116.450 106.454 104.496
GAL/MIN N/A 81.514 74.518 73.147
STD LIQ RATE, BBL/HR N/A 95.302 88.404 84.096
SPECIFIC GRAVITY (H2O=1.0) N/A 0.9119 0.9182 1.0129
MOLECULAR WEIGHT N/A 213.330 220.904 434.025
Z (FROM K) N/A 0.0000 0.0000 0.0000
CP, BTU/LB-F N/A 0.631 0.620 0.675
DENSITY, LB/BBL N/A 261.310 267.014 285.429
SURFACE TENSION, DYNE/CM N/A 14.7490 16.0313 16.2526
THERMAL COND, BTU/HR-FT-F N/A 0.04572 0.04682 0.03919
VISCOSITY, CP N/A 0.27865 0.31502 0.58326
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
TBP AT 760 MM HG
0 LV PERCENT -99.178 -167.205 55.377 288.196
5 19.779 22.716 414.991 448.653
10 64.214 129.405 462.292 473.754
30 170.669 331.564 518.111 525.220
50 246.182 461.670 558.042 565.092
70 305.828 506.573 620.681 628.127
90 388.134 559.927 696.750 701.224
95 421.974 595.088 735.699 739.095
100 462.972 671.824 778.125 779.221
TBP AT 10 MM HG
0 LV PERCENT -204.974 -254.348 -90.420 88.653
5 -117.103 -114.908 189.637 216.871
10 -83.769 -34.349 227.959 237.299
30 -2.747 122.910 273.646 279.502
50 55.740 227.452 306.643 312.496
70 102.546 264.161 358.938 365.199
90 168.037 308.207 423.340 427.158
95 195.272 337.492 456.701 459.622
100 228.512 402.127 493.343 494.294
ASTM D86
0 LV PERCENT -70.768 -144.034 95.598 346.037
5 54.915 54.260 438.392 474.185
10 101.861 165.652 483.480 494.232
30 184.740 341.758 522.192 529.038
50 245.517 456.577 550.680 557.558
70 297.391 491.019 600.672 607.819
90 370.299 536.484 668.621 672.939
95 406.338 570.035 702.312 705.500
FRACTIONATOR
ASTM D1160
0 LV PERCENT -47.993 -237.362 -112.971 305.941
5 47.962 3.997 410.732 464.674
10 83.910 138.580 478.420 489.510
30 180.803 338.349 525.355 532.454
50 246.182 461.670 558.042 565.092
70 305.828 506.573 620.681 628.127
90 388.134 559.927 696.750 701.224
95 421.974 595.088 735.699 739.095
100 462.972 671.824 778.125 779.221
ASTM D86 WITH CRACKING
0 LV PERCENT -70.768 -144.034 95.598 346.037
5 54.915 54.260 438.392 474.185
10 101.861 165.652 478.724 488.917
30 184.740 341.758 515.122 521.463
50 245.517 456.577 541.278 547.496
70 297.391 485.877 585.456 591.557
90 370.299 528.320 640.825 644.125
95 406.338 558.671 665.809 668.081
100 449.999 620.882 690.996 691.645
Process Data The process flowsheet for the sour water stripper is shown below in Figure R6.1.
The sour water composition and thermal condition are as follows:
Table R6.1
Feed Stream Information
N2 2.000
CH4 3.000
H2S 795.654
NH3 810.560
CO2 5.000
HCN 0.238
nC6 0.595
nC9 0.430
H2O 25584.713
R6 SOUR WATER
Temperature (F) 150
STRIPPER
Pressure (psia) 25
You’ve estimated the 50 psia saturated stripping steam at 200 lbmole/hr and the
bottoms rate at 1446 lbmole/hr. The column operates at 20.8 psia with a 2.17 psi
pressure drop.
Methods The system keyword SOUR is used to select equilibrium and enthalpy data for the
and Data sour water stripping calculations. This is a special data package provided as part of
the program specifically for sour water systems. Section 25, Application Guidelines,
in the PRO/II Keyword Input Manual is consulted to verify that the operating
conditions are within the recommended range of application of this method.
Simulation The stripper is modeled as an ordinary column with seven theoretical stages. The
Model sour water is fed to stage one and the stripping steam is fed to stage seven. The
stripping steam rate is varied to meet the column performance specification of 0.02
weight percent ammonia in the stripped water product.
The Inside/Out (I/O) algorithm is selected for rigorous solution of the sour water
R6 SOUR WATER
Input Data Note how the stripping steam feed rate is varied to meet a column product specifi-
cation (Note 1) and how a K-value printout option was selected for all trays in the
column (Note 2).
COMPONENT DATA
LIBID 1,N2/2,METHANE/3,HYSULFID/4,AMMONIA/ &
5,CO2/6,HYCYANID/7,HEXANE/8,NONANE/ &
9,H2O
THERMODYNAMIC DATA
STREAM DATA
PROP STREAM=1,TEMP=150,PRES=25,PHASE=M, &
COMP(W)=1,2/2,3/3,795.654/4,810.56/ &
5,5/6,0.238/7,0.595/8,0.43/ &
9,25584.713
PROP STREAM=2,PRES=50,PHASE=V, &
COMP(M)=9,200
UNIT OPERATIONS
COLUMN UID=COL1,NAME=SWS
PARAM TRAY=7,IO=25,DAMP=0.5
FEED 1,1/2,7,NOTSEP
PROD OVHD=3,BTMS=4,1446
PSPEC TOP=20.8,DPCOL=2.1678
ESTI MODEL=CONVENTIONAL
SPEC STREAM=4,FRAC(W),COMP=4,4, &
VALUE=0.0002
VARY FEED=2 $NOTE 1
PRINT PROP=BRIE,ITER=NONE,XYDATA,KVALUE $NOTE 2
END
R6 SOUR WATER
STRIPPER
Conclusions 5441 lb/hr of 50 psia saturated stripping steam is required to reduce the ammonia
content in the sour water to 0.02 weight percent.
Output Partial results are shown below for the simulation input given above.
R6 SOUR WATER
STRIPPER
IN/OUT METHOD 17
COLUMN SUMMARY
SPECIFICATIONS
R6 SOUR WATER
STRIPPER
TRAY K-VALUES
R6 SOUR WATER
STRIPPER
(1) STD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
Process The flowsheet for this problem is shown in Figure R6A.1. The feed sour water stream
Data composition is the same as in the original problem. The caustic feed to the stripper
is 50% NaOH in water.
Figure R6A.1
Sour Water Caustic Stripper
R6 SOUR WATER
STRIPPER
Methods The electrolyte thermodynamic model SW01 is used for calculating vapor-liquid
and Data phase equilibria. This model contains all the components appearing in the feed
streams.
Simulation The sour water caustic stripper is modeled, as in R6, as a 7 tray column. The ELDIST
Model algorithm is used, along with a damping factor of 0.5, and the initial estimate model
ELEC is selected.
COMPONENT DATA
LIBID 1,N2/2,CH4/3,H2S/4,NH3/&
5,CO2/6,HCN/7,H2O/8,NAOH
THERMODYNAMIC DATA
METHODS SYSTEM=SW01 $NOTE 1
STREAM DATA
PROP STREAM=1,TEMP=120,PRES=25,PHASE=L, &
COMP(W)=1,2/2,3/3,795.654/4,810.56/ &
5,5/6,0.238/7,25584.7/8,0.0
PROP STREAM=2,PRES=50,PHASE=V, &
COMP(M)=7,200
PROP STREAM=3,TEMP=120,PRES=25,PHASE=L, &
RATE=5, &
COMP(W)=7,50/8,50,NORMALIZE
UNIT OPERATIONS
COLUMN UID=COL1,NAME=SWS
PARAM TRAY=7,ELDIST=25,DAMP=0.5,ERRINC=150
FEED 1,1/2,7/3,1,NOTSEP
PROD OVHD=3B,BTMS=4,1446
PSPEC TOP=20.8,DPCOL=2.1678
ESTI MODEL=ELEC
PRINT PROP=BRIE,ITER=NONE,XYDATA
CASESTUDY OLDCASE=BASECASE, NEWCASE=TWO $NOTE 2
CHANGE STREAM=3, RATE, VALUE=10
CASESTUDY OLDCASE=TWO, NEWCASE=THREE
CHANGE STREAM=3, RATE, VALUE=20
CASESTUDY OLDCASE=THREE, NEWCASE=FOUR
R6 SOUR WATER
Table R6A.1
Effect of Caustic on Stripped Water Concentrations
Caustic As
Stream 4 Flowrate As CO2 +
Stream 4 Ionic lb mole/hr As H2S + As NaHCO3 + HCN NH3
pH Strength H2S NaHS CO2 Na2CO3 mole % mole %
R6 SOUR WATER
STRIPPER
Output Selected portions of the stream output summary were extracted from all the case
studies.
STREAM ID 1 2 3B 4
NAME
PHASE LIQUID VAPOR VAPOR LIQUID
R6 SOUR WATER
STRIPPER
Process Data The flow sheet is shown in Figure R7.1. The column has a kettle reboiler and a bubble
point condenser. The feed composition and conditions are listed in Table R7.1.
R7 STABILIZER
Figure R7.1
Cyclohexane Plant Flow Sheet
Methods The Grayson-Streed system is chosen for the thermodynamic calculations. This
and Data system uses the Grayson-Streed correlation for the K-values, Curl-Pitzer for enthal-
pies, SRK for vapor density, and API for liquid density. It gives good results with
nearly all refinery hydrocarbon simulations involving components ranging from
propane to gas oils.
When specifying RVP, PRO/II uses the API data book nomographs for naphtha
(default) or for crude oil. This may give different results from rigorous laboratory
measurements using the ASTM D323-72 test procedure.
Input Data The dimensional units and print options are left as the default values. This means
that the dimensional units are the standard English set.
No solution method is specified for the column, so it defaults to the Inside-Out method.
No estimate data are required other than for the overhead product.
The specification on the C5 loss in the overhead is that the sum of the i-pentane and
n-pentane (components 5 and 6) must be 0.3 lb mole/hr. The API nomograph for
naphtha is used for the RVP specification.
R7 STABILIZER
Results The column design meets the required performance. The condenser and reboiler
duties are shown on the column summary output. The reflux is shown as the liquid
from tray 1.
Output The column summary output shows rates, temperatures, pressures, and, duties.
The full stream output, consisting of the component flow rates and the stream
property summary, is also shown.
R7 STABILIZER
IN/OUT METHOD 4
COLUMN SUMMARY
SPECIFICATIONS
R7 STABILIZER
R7 STABILIZER
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
OPTIMIZER UID=OPT1,NAME=OPTIMIZER
OBJECTIVE COLUMN=STAB,DUTY(2),MINIMIZE
VARY COLUMN=STAB,FTRAY(1),MINI=2,MAXI=20,STEP=1
OPTPARAMETER IPRINT=ALL
END
Results The optimum feed location is found to be between trays 15 and 16, resulting in a
minimum reboiler duty of 8.8163 MMBtu/hr. This minimum is a reduction of 2.4% from
the original duty of 9.0366 MMBtu/hr.
R7 STABILIZER
OPTIMIZER HISTORY
IN/OUT METHOD 22
COLUMN SUMMARY
TYPE STREAM PHASE FROM TO LIQUID PCT FLOW RATES HEAT RATES
TRAY TRAY FRAC LB-MOL/HR MM BTU/HR
------------ ---------------------------- ---------------- ------------ ------------ ------------ ------------ ---------------------------- --------------------------------
FEED FD LIQUID 15 1.0000 74.3 709.94 2.1438
LIQUID 16 1.0000 25.7 246.06 .7430
PROD OV LIQUID 1 151.15 .3100
PROD BT LIQUID 21 804.85 7.7847
SPLITTER
A column splits out the C5 components from a naphtha stream for use as an
isomerization feedstock. Recent analyses have found an excessive amount of
heavier components in the isomerization feed which has an adverse effect on the
process.
You must determine the operating conditions which will meet the required specifica-
tions and calculate the C5 product flowrate.
Process Data The flow sheet and process conditions are shown in Figure R8.1. The isomerization
feed is the product from the sidestripper.
The feed composition and conditions are listed in Table R8.1.
Figure R8.1
Naphtha Splitter Column
The column specifications required to produce the defined isomerization feed stream
are listed in Table R8.2. The amount of C5 components in the overhead and the C6
in the bottoms are limited in order to force the C5 cut into the sidedraw. The
sidestripper specifications restrict the amount of C4 and C6 components in the
isomerization feed.
Table R8.2
PRODUCT SPECIFICATIONS
Specification Value
R8 NAPHTHA
The Soave-Redlich-Kwong system is specified for all thermodynamic calculations.
and Data The default API liquid density method is used. The heavy C8+ component is defined
SPLITTER
as decane. The exact nature of this component is not important, as virtually all of it
leaves in the bottom product of the column.
Simulation The main column has 31 theoretical stages, including the reboiler and bubble point
Model condenser. The reboiled sidestripper contains 8 theoretical stages. The column and
sidestripper are modeled as conventional columns and use the default IO solution
method which calculates them simultaneously. The duties and the rates between the
column and sidestripper are calculated to meet the purity specifications.
Input Data English units are used in this simulation with the pressure changed to psig and the
liquid volume to U.S. barrels. The stream print options specify that only weight flow
rates and compositions will be output.
The column output is limited by the PROPTABLES=BRIEF statement.
Input Data File:
TITLE PROBLEM=R8,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMENSION ENGLISH,LIQVOL=BBL,PRESS=PSIG
PRINT STREAMS=PART,RATE=W,PERCENT=W
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4/5,IC5/6,NC5/&
7,CP/8,2MP/9,NC6/10,MCP/11,BENZENE/&
12,CH/13,11CP/14,2MHX/15,NC7/16,224MPN/&
17,MCH/18,TOLUENE/19,11MCH/20,1T2ECP/21,NC10,,C8+
THERMODYNAMIC DATA
METHODS SYSTEM=SRK
STREAM DATA
PROP STREAM=FD,PRES=165,TEMP=360,RATE(LV)=670,&
COMP(W)=0.05/2.45/2.15/5.74/4.01/4.90/0.11/4.52/3.73/&
2.34/0.96/1.04/3.03/3.09/3.10/4.23/2.43/2.28/&
3.12/2.77/43.95,NOCHECK
PROP
STREAM=VAP,PHASE=V,TEMP=400,COMP(W)=3,5000/5000/5000/5000
UNIT OPERATIONS
COLUMN UID=SPLT,NAME=SPLITTER COL
PARA TRAY=31
COND TYPE=BUBBLE
ESTI MODEL=CONV,RRATIO=8
FEED FD,19/VAP,9
PROD OVHD=OVHD,300,LDRAW=SLIQ,11,600,BTMS=BTMS
HEAT 1,31/2,1
VARY HEAT=1,2
SPEC STREAM=OVHD,COMP=5,FRACT(LV),VALUE=0.013
SPEC STREAM=BTMS,COMP=8,FRACT(LV),VALUE=0.05
PRES 1,145/2,150/30,155/31,156
PRINT PROPTABLES=BRIEF
PARA TRAY=8
ESTI MODEL=CONV
FEED SLIQ,1
PROD OVHD=VAP,450,BTMS=MID
HEAT 1,8
VARY FEED=SLIQ,HEAT=1
SPEC STREAM=MID,COMP=3,4,FRACT(LV),VALUE=0.015
SPEC STREAM=MID,COMP=9,FRACT(LV),VALUE=0.04
PRES 1,153/7,154/8,155
END
Results The column can meet the required specifications on the C5 product with column and
sidestripper reboiler duties of 13.4 and 4.8 MM Btu/hr respectively. The condenser
duty is -16.9 MM Btu/hr.
The flow rate of the C5 product is 16964 lb/hr.
Conclusions Unless there are hydraulic restrictions, the existing configuration can produce the
required isomerization feedstock if the calculated duties are available. If the column
does not meet the specification with these operating conditions, then it will be
necessary to investigate the column for mechanical problems such as tray fouling.
Output The column summaries show the internal flow rates in the columns, as well as the
duties required to meet the specifications. The weight flow rates and compositions
are also shown for the feed and product streams.
SPLITTER
UNIT 1, ’SPLT’, ’SPLITTER COL’
IN/OUT METHOD 4
COLUMN SUMMARY
SIDESTRIPPER SS1
SIDESTRIPPER SS1
SPECIFICATIONS
SPLITTER
STREAM ID BTMS FD MID OVHD
NAME
PHASE LIQUID MIXED LIQUID LIQUID
Figure P1.1
C3 SPLITTER COLUMN
Component lb moles/hr
Ethane 0.3
Propylene 550.0
Propane 200.0
Butane 5.0
Thermal
Pressure (psia) Conditions
Column
top 225
reboiler 250
The feed is pumped from grade to feed tray. This, however, is not significant to the
simulation and will be ignored.
Methods and Peng-Robinson is selected for equilibrium, enthalpy, and vapor phase density
Data calculations, while Lee-Kesler is used for liquid phase density. REGRESS calcu-
lated the Peng-Robinson interaction coefficient (KIJ) between propane and propene
to be 0.00663.
P1 C3 SPLITTER
The input data follows below. English dimensional units are used throughout the
simulation. The KIJ is entered following the KVALUE statement in the thermo data
section.
Output Selected trays from the column summary are shown here. Note the excellent overall
material balance on the Stream Component Flow Rates Summary, despite the large
number of trays.
UNIT 1, ’C3SP’
IN/OUT METHOD 4
COLUMN SUMMARY
SPECIFICATIONS
STREAM MOLAR
COMPONENT RATES
STREAM ID BOTS FD TOPS
NAME
PHASE LIQUID LIQUID LIQUID
P2 AROMATICS
column.
SEPARATION
You have to simulate the design to ensure that all the required product specifications
will be met.
Process The process flow diagram and the column operating conditions are shown in Figure
Data P2.1. The column has 39 theoretical trays including the reboiler and total condenser.
The vapor side draw is taken from tray 32.
The feed composition and thermal conditions are in Table P2.1.
Figure P2.1
Aromatics Separation Column
Component kmol/hr
Benzene 302
SEPARATION
Toluene 16
P2 AROMATICS
Biphenyl 14
The column must meet the three purity specifications which are shown in Table
P2.2.
Table P2.2
COLUMN SPECIFICATIONS
Specification Value
Methods The Grayson-Streed thermodynamic method is selected as the most suitable for
and Data this type of aromatic system. Curl-Pitzer is used for enthalpy and the API Data Book
method for liquid density.
Simulation The column is simulated as a conventional fractionator and uses the default IO
Model solution method.
P2 AROMATICS
TITLE PROBLEM=P2,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=AUG 95
PRINT PERCENT
SEPARATION
DIMEN SI
COMPONENT DATA
LIBID 1,BENZENE/2,TOLUENE/3,BIPHENYL
THERMODYNAMIC DATA
METHODS SYSTEM=GS
STREAM DATA
PROP STREAM=1,TEMP=380,PRES=180,COMP=1,302/2,16/3,14
NAME 1,FEED/2,BENZENE/3,TOLUENE/4,BIPHENYL
UNIT OPERATIONS
COLUMN UID=BTB,NAME=AROMATIC TWR
PARAM TRAY=39
FEED 1,19
COND TYPE=TFIX,PRESS=129,TEMP=343
PROD OVHD=2,BTMS=4,14,VDRAW=3,32,16
HEAT 1,1/2,39
VARY HEAT=1,2,DRAW=3
PSPEC TOP=150,DPCOL=41
ESTI CTEMP=343,RRATIO=1
SPEC STREAM=2,FRAC,COMP=1,VALUE=0.9995,RTOL=2.5E-4
SPEC STREAM=3,FRAC,COMP=2,VALUE=0.95,ATOL=0.001
SPEC STREAM=4,FRAC,COMP=3,VALUE=0.955,RTOL=0.001
END
IN/OUT METHOD 5
SEPARATION
P2 AROMATICS
COLUMN SUMMARY
P2 AROMATICS
TRAY TRAY FRAC KG-MOL/HR M*KJ/HR
--------- ------------------------ ------------ -------- -------- ------------ ------------------------ ------------------------
SEPARATION
FEED 1 MIXED 19 .4513 332.00 10.4489
PROD 2 LIQUID 1 301.36 2.9450
PROD 3 VAPOR 32 15.99 .8628
PROD 4 LIQUID 39 14.65 1.1618
SPECIFICATIONS
REFLUX RATIOS
Process The process flowsheet for the ethylene plant primary fractionator and water quench
Data system is shown below in Figure P3.1. The system consists of the primary
fractionator, a gas oil side stripper, a heavy fuel oil side stripper, and a water quench
FRACTIONATOR
P3 ETHYLENE
tower.
The ethylene reactor effluent enters below the bottom tray of the primary fractionator
and is quenched with heavy fuel oil, a portion of which is combined with the effluent
feed and the remaining portion which is fed to the tray above. Further quenching
takes place in the column and the overhead product enters a water quench tower
for final quenching.
Products from the primary fractionator include a gas oil side product and a heavy
fuel oil bottoms product. Products from the water quench tower include the raw gas
overhead product and the liquid product which is separated into gasoline and water
products in a two-phase liquid separator. A large portion of the gasoline product
provides reflux to the primary fractionator.
Figure P3.1
Ethylene Quench System-Process Flow Diagram
Figure P3.2
Ethylene Quench System-Simulation Flow Diagram
Table P3.1
Ethylene Fractionator Feed
Reactor
Effluent Wash Gas
Component (Lbmol/hr) (Lbmol/hr) API
Water 41760 125 ----
H2 2672 1 ----
Methane 4825 1 ----
Ethylene 7355 11 ----
Propylene 2467 14 ----
FRACTIONATOR
P3 ETHYLENE
i-Butane 1324 22 ----
3-Methyl-1-Butene 156 2 ----
1-Hexene 203 19 ----
Benzene 398 36 ----
1-Heptene 59 26 ----
Toluene 242 27 ----
N-Octane 31 ---- ----
M-Xylene 148 38 ----
BP 316 57 15 22.81
BP 338 173 43 20.65
BP 363 66 18 18.55
BP 388 38 ---- 16.67
BP 425 75 ---- 16.63
BP 475 137 ---- 16.36
BP 525 112 ---- 11.43
BP 575 61 ---- 9.30
BP 650 87 ---- 5.88
BP 750 59 ---- 1.36
BP 1100 157 ---- - 9.52
Total 62122 398
Temperature (F) 1067 300 ----
Primary Fractionator
Table P3.3
Estimated Product Rates
Methods The Peng-Robinson (PR) thermodynamic system is used, along with COSTALD
and Data liquid densities as recommended in the Application Guidelines of the PRO/II
Keyword Input Manual. Peng-Robinson is a cubic equation of state recommended
Simulation The simulation flowsheet is shown above in Figure P3.2. Note that the water quench
Model tower, primary fractionator, and fuel oil stripper are combined together into a single
column of 16 theoretical stages. The advantage of this simulation model is the
elimination of the gasoline recycle stream between the primary fractionator and the
quench tower.
The special FREEWATER option available in the SURE algorithm is used to allow
a water liquid phase as well as a hydrocarbon liquid phase to exist on each column
tray . The water is decanted from the quench section of the column with a total
water draw on tray number 4. The gasoline product is produced as a side draw,
also from tray number 4. The net liquid from tray 4 to tray 5 (excluding the gasoline
product) corresponds to the gasoline reflux stream in the original flowsheet.
FRACTIONATOR
P3 ETHYLENE
The water quench system is simulated with a water feed on each of the top four
column trays. The water flowrates are adjusted to meet the specifications on tray
temperatures in the actual quench tower using a multivariable controller (MVC).
Although the SURE algorithm supports varying the feed rates within the column
algorithm, varying them externally via the MVC is easier to converge in this case.
The heavy fuel oil quench stream which is combined with the reactor effluent feed
stream prior to entering the primary fractionator is simulated by a pumparound circuit
from tray 14 to tray 14 with a cooler on tray 14 (the feed tray). The circulation rate
of the 365 F fuel oil quench stream is specified at 33000 BPH.
The quench recycle to the tray above the feed tray, tray 13, is also modeled as a
pumparound circuit, and the associated cooler Q5 is placed on tray 13. The return
temperature is set at 320 F with PRO/II calculating the quench recycle rate.
The following column operating parameters are specified:
Tray 1 Temperature (F) 105
Tray 2 Temperature (F) 130
Tray 3 Temperature (F) 145
Tray 4 Temperature (F) 175
Tray 14 Temperature (F) 420
Tray 4 net liquid gasoline reflux (BPH) 3000
Tray 12 draw Gas Oil Stripper feed (BPH) 155
and the following column operating parameters are calculated:
Water quench rates (W1, W2, W3, W4)
Pumparound coller duty (Q5)
Gasoline product rate (stream 4)
Gas Oil Stripper draw rate (stream 7)
Input Data Note the selection of LIQVOL=BBL to change the default liquid volume units of FT3
(cubic feet) to BBL (API barrels) (Note 1). The heavy boiling components in the
feed are characterized as petroleum components. The input reprint summary is
suppressed and the standard stream reports are suppressed and replaced with user
COMPONENT DATA
LIBID 1, WATER / 2, H2 / 3, METHANE / 4, ETHENE / &
5, PROPENE / 6, 1BUTENE / 7, 3M1BUTEN / &
8, 1HEXENE / 9, BENZENE / 10, 1HEPTENE / &
11, TOLUENE / 12, OCTANE / 13, MXYLENE
PETR 14,BP316,,22.81,316 / 15,BP338,,20.65,338 / &
16,BP363,,18.55,363 / 17,BP388,,16.67,388 / &
FRACTIONATOR
P3 ETHYLENE
THERMO DATA
METHODS SYSTEM=PR,DENSITY(L)=COSTALD
STREAM DATA
PROP STREAM=1, TEMP=1067, COMP=41760/2672/4285/7355/2467/1324/ &
156/203/398/59/242/31/148/57/173/66/38/75/137/112/61/87/59/157
PROP STREAM=2, TEMP=300, COMP=125/1/1/11/14/22/2/19/36/26/27/0/38/15/43/18
PROP STREAM=S1, PRES=50, PHASE=V, RATE(WT)=23000, COMP=1,100
PROP STREAM=S2, PRES=50,PHASE=V, RATE(WT)=27000, COMP=1,100
PROP STREAM=6, PRES=50, PHASE=V, RATE(WT)=23000, COMP=1,100
PROP STREAM=W1, PRES=50,TEMP=75, COMP=45000
PROP STREAM=W2, PRES=50,TEMP=75, COMP=22000
PROP STREAM=W3, PRES=50,TEMP=75, COMP=78000
PROP STREAM=W4, PRES=50,TEMP=75, COMP=413000
NAME 1, REACT EFF / 2, WASH GAS / 3, RAW GAS / 4, GASOLINE / 5, WATER / &
6, GAS OIL RECYCLE / 7, GAS OIL DRAW 8, GAS OIL / 9, FUEL OIL
OUTPUT FORMAT=1, STREAMS=1,3,4,9 $NOTE 2
FORMAT IDNO=1, LINE, DRY, NAME, RATE, LINE, CRATE, LINE, CPCT
MVC $NOTE 3
VARY STREAM=W1,RATE
VARY STREAM=W2,RATE
VARY STREAM=W3,RATE
VARY STREAM=W4,RATE
SPEC COLUMN=T123,TEMP,TRAY=1,VALUE=105
SPEC COLUMN=T123,TEMP,TRAY=2,VALUE=125
SPEC COLUMN=T123,TEMP,TRAY=3,VALUE=145
SPEC COLUMN=T123,TEMP,TRAY=4,VALUE=175
MVCPARAMETER CYCLES=15
Results The multivariable controller solved in eight cycles. The temperature of the primary
FRACTIONATOR
P3 ETHYLENE
fractionator ranges from 231 F on the top tray to 420 F on the bottom tray (as
specified). The top temperature of the gas oil stripper is 267 F and the bottom
temperature is 246 F, while the top temperature of the heavy fuel oil stripper is 401
F and the bottom temperature is 370 F. The primary fractionator reflux ratio
(gasoline reflux rate/gasoline product rate) is 16.96.
Approximately 1650 gpm of water at 175 F is drawn off the water quench tower
(stream 5), excluding quench water. The water flow rates to the quench tower total
approximately 20300 gpm.
Conclusions The product split from the ethylene plant primary fractionator is:
Raw Gas 186.4 MMSCFD
Gasoline 4240 BPD
Gas Oil 3133 BPD
Heavy Fuel Oil 8517 BPD
Output Partial results are shown below for the simulation input given above.
SURE METHOD 75
FRACTIONATOR
COLUMN SUMMARY
P3 ETHYLENE
FRACTIONATOR
P3 ETHYLENE
FEED W2 WATER 2 1.0000 21844.03 16.9339
FEED W3 WATER 3 1.0000 78607.02 60.9378
FEED 2 VAPOR 4 0.0000 398.00 8.8599
FEED W4 WATER 4 1.0000 417105.19 323.3484
FEED 6 VAPOR 10 0.0000 1334.56 28.5650
FEED 1 VAPOR 14 0.0000 62121.99 1727.7562
FEED S2 VAPOR 16 0.0000 1498.75 31.7371
PROD 3 VAPOR 1 20467.53 108.0054
PROD 4 LIQUID 4 499.16 1.2868
PROD 5 WATER 4 607489.44 1563.8646
PROD 7 LIQUID 11 344.86 2.9739
PROD 9 LIQUID 16 462.18 4.7815
PUMPAROUNDS
----------------------------------------------------------------------------------------------------------------------------------------------------
-----
14 14 420.0 365.0 1.0000 1.0000 44918.00 12456.277 32964.82
14 13 420.0 320.0 1.0000 1.0000 16737.94 4641.622 12283.78
SPECIFICATIONS
SURE METHOD 64
COLUMN SUMMARY
FRACTIONATOR
P3 ETHYLENE
TRAY TEMP PRESSURE LIQUID VAPOR FEED PRODUCT DUTIES
DEG F PSIA LB-MOL/HR MM BTU/HR
----------------------------------------------------------------------------------------------------------------------------------------------------
-
1 266.8 24.00 319.5 344.9L 1334.5V
2 245.9 24.00 1309.2 1276.7V 287.0L
STREAM ID 1 3 4 9
NAME REACT EFF RAW GAS GASOLINE FUEL OIL
PHASE WET VAPOR WET VAPOR WET LIQUID WET LIQUID
FRACTIONATOR
P3 ETHYLENE
14 BP316 0.2799 0.0397 12.8968 2.1366E-03
15 BP338 0.8496 0.0253 41.8059 0.0140
16 BP363 0.3241 1.0829E-03 13.7793 0.0149
17 BP388 0.1866 1.1179E-05 1.2663 0.0337
18 BP425 0.3683 6.9487E-09 0.0264 0.3655
19 BP475 0.6728 1.1533E-13 6.3202E-05 5.2041
20 BP525 0.5500 2.7125E-19 2.5022E-08 15.6787
21 BP575 0.2996 1.2433E-25 2.5221E-12 12.4145
22 BP650 0.4273 0.0000 3.7733E-18 18.9710
23 BP750 0.2898 0.0000 6.3201E-27 12.9188
24 BP1100 0.7710 0.0000 0.0000 34.3801
UNIT 3
BEST CYCLE = 8
CONVERGENCE HISTORY
STREAM ID 1 2 3 4
NAME REACT EFF WASH GAS RAW GAS GASOLINE
TBP AT 760 MM HG
0 LV PERCENT -423.040 -197.865 -423.040 -36.602
5 -382.363 -51.137 -393.182 211.399
10 -300.366 20.916 -321.998 258.406
30 -188.200 183.080 -204.213 306.242
50 -107.071 237.466 -134.028 328.276
70 -4.966 312.016 -63.502 344.629
90 438.234 351.128 64.767 361.955
FRACTIONATOR
P3 ETHYLENE
95 708.486 360.850 183.044 372.038
100 1100.000 363.000 264.245 381.567
TBP AT 10 MM HG
0 LV PERCENT -434.554 -276.396 -434.554 -158.997
5 -406.465 -169.724 -413.956 28.693
10 -349.204 -116.253 -364.394 65.288
30 -269.460 6.807 -280.946 102.873
50 -210.735 48.945 -230.346 120.303
70 -135.545 107.433 -178.828 133.288
90 208.423 138.460 -83.352 147.092
95 433.364 146.210 6.780 155.146
100 782.047 147.925 69.857 162.772
ASTM D86 AT 760 MM HG
0 LV PERCENT -419.984 -177.064 -419.984 -3.397
5 -370.675 -18.655 -383.018 243.441
10 -271.279 59.135 -294.887 290.227
30 -172.436 196.905 -188.708 317.140
50 -103.158 236.957 -129.961 326.039
70 -4.774 303.375 -62.126 334.895
90 418.799 334.456 56.414 344.945
95 676.755 348.285 178.522 358.922
100 1050.457 351.343 262.353 372.131
ASTM D1160 AT 760 MM HG
0 LV PERCENT -354.066 -194.147 -359.603 -105.573
5 -329.294 -40.031 -342.484 211.678
10 -279.140 35.571 -301.511 271.346
30 -177.346 192.028 -193.765 310.873
50 -107.071 237.466 -134.028 328.276
70 -4.966 312.016 -63.502 344.629
90 438.234 351.128 64.767 361.955
95 708.486 360.850 183.044 372.038
100 1100.000 363.000 264.245 381.567
STREAM ID 6 7 8 9
NAME GAS OIL RECYCLE GAS OIL DRAW GAS OIL FUEL OIL
TBP AT 760 MM HG
0 LV PERCENT -57.810 208.802 332.054 461.205
5 314.423 355.854 368.721 497.827
10 340.028 373.414 386.525 531.631
30 373.696 417.973 428.966 646.392
50 400.720 451.128 458.891 815.318
70 433.526 484.295 490.795 1042.172
90 482.276 522.420 525.025 1100.000
FRACTIONATOR
P3 ETHYLENE
95 506.980 548.422 553.123 1100.000
100 527.803 574.116 581.888 1100.000
TBP AT 10 MM HG
0 LV PERCENT -174.640 26.681 123.299 227.074
5 109.336 142.226 152.494 256.986
10 129.631 156.246 166.746 284.789
30 156.471 192.042 200.921 380.595
50 178.145 218.881 225.191 525.727
70 204.611 245.907 251.225 728.739
90 244.257 277.194 279.341 782.047
95 264.495 298.670 302.564 782.047
100 281.631 320.000 326.473 782.047
ASTM D86 AT 760 MM HG
0 LV PERCENT -26.228 260.653 393.196 532.042
5 342.697 384.889 405.937 540.527
10 368.074 399.724 412.124 548.359
30 382.648 425.530 436.161 645.436
50 396.976 446.273 453.861 801.180
70 420.676 469.578 475.836 1003.669
90 461.409 500.230 502.749 1057.138
95 486.846 526.005 530.444 1042.677
100 508.285 551.475 558.796 1057.138
ASTM D1160 AT 760 MM HG
0 LV PERCENT -218.722 245.039 371.912 503.264
5 315.839 372.459 390.861 523.333
10 352.018 387.707 400.086 541.916
30 379.164 424.366 434.878 649.334
50 400.720 451.128 458.891 815.318
70 433.526 484.295 490.795 1042.172
90 482.276 522.420 525.025 1100.000
95 506.980 548.422 553.123 1100.000
100 527.803 574.116 581.888 1100.000
Process The process flow sheet is shown in Figure P4.1. The feed conditions are shown in
Data Table P4.1, and the feed and recycle stream compositions are in Table P4.2
P4 CYCLOHEXANE
PLANT
Figure P4.1
Cyclohexane Plant Flow Sheet
Cooling water - 60 -
Steam - - 300
P4 CYCLOHEXANE
PLANT
Table P4.2
FEED AND RECYCLE STREAM COMPOSITIONS (mole %)
Benzene 100.0 - - -
Table P4.3
PROCESS CONDITIONS
P4 CYCLOHEXANE
RC-1 outlet - 484 -
PLANT
P-1 outlet - 615 -
D-1 outlet - - 31
Exchanger E-1 has 1 shell pass and 2 tubeside passes with an overall heat transfer
coefficient of 110 BTU/hr -ft2-F.
The reaction stoichiometry for all three reactors is
C6H6 + 3H2 = C6H12
and the heat of reaction at 77 F is -87000 Btu/lb mole benzene. The conversions
are shown in Table P4.4.
RX-1 90
RX-2 67
RX-3 97
Methods The Grayson-Streed (GS) system is specified for the thermodynamic calculations.
and Data The GS correlation is an extension of the Chao-Seader K-value method, using
experimental data to improve its applicability to hydrogen and methane systems.
This correlation is especially suitable for the simulation of hydrogen rich streams,
such as hydrotreaters and reformers.
Curl-Pitzer enthalpies are used with SRK vapor densities. Liquid densities are
computed using the API method, which provides good results for hydrocarbon
streams containing hydrogen.
P4 CYCLOHEXANE
Simulation The simulation model flow sheet shown in Figure P4.2 varies from the actual process
Model flow diagram in Figure P4.1 by the addition of mixer and splitter units.
PLANT
Figure P4.2
Simulation Flow Diagram for Cyclohexane Plant
P4 CYCLOHEXANE
PLANT
- cyclohexane product (stream 17)
Stream 17, the main product, is treated as a recycle stream because it is used in the
STCALC unit to calculate the hydrogen purge rate.
PRO/II has the Wegstein convergence acceleration method for use with simulations
which have large recycle streams.
Two mixer units (not shown in Figure P4.2) are used to sum up the total feed and
product streams for the plant. Because of the reactions, there will not be a molar
balance, but the total weight flows in and out must be equal.
Input Data English units are used except that LIQVOL=BBL changes the default liquid volume
units of ft3 to barrels. The default pressure units are also changed from psia to psig.
By default, the recycles have converged when no component changes by more than
the tolerance of 1% between trials. When the recycle is largely made up of one
component, as in the hydrogen recycle, a tighter tolerance is required to ensure that
components present in small amounts converge correctly. The TOLERANCE state-
ment in the General Data is used to tighten the stream component tolerance to 0.3%.
The STCALC unit is used to calculate the hydrogen in the purge by difference from
the feeds and products and the amount consumed in the reactors. The FEED
statement specifies the stream labels with the factors which will be applied to each
stream rate. Streams with a factor of 1 are added and those with a factor of -1 are
subtracted. The unit subtracts the product (stream 17) from the feed (stream 4). The
hydrogen consumed in the reactors is the difference between reactor product stream
12 and feed streams 7 and 19. Finally, all components except hydrogen are removed
from the stream calculator product stream, XSH2, using a factor of zero on the
TITLE PROBLEM=P4,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DESC SIMULATION OF A THREE REACTOR CYCLOHEXANE PLANT
DIMENSION PRES=PSIG,LIQV=BBL
TOLERANCE STREAM=0.003
SEQUENCE S2,M1,CON1,RX1,RX2,M2,E1,E2,RX3,E3,D1,&
BLD1,S1,P1,S3,RC1,FEED,PROD
COMPONENT DATA
LIBID 1,HYDROGEN/2,METHANE/3,BENZENE/4,CH
THERMO DATA
METHODS SYSTEM=GS
STREAM DATA
PROP
STREAM=1,TEMP=100,PRES=540,PHASE=L,COMP=3,100,RATE(LV)=48.4
PROP
STREAM=2,TEMP=100,PRES=540,PHASE=L,COMP=3,100,RATE(LV)=32.1
PROP
STREAM=3,TEMP=100,PRES=540,PHASE=L,COMP=3,100,RATE(LV)=13
PROP STREAM=4,TEMP=100,PRES=540,PHASE=V,&
RATE(GV)=.54E6,COMP=97.25/2.75
PROP STREAM=23,TEMP=150,PRES=484,PHASE=V,&
P4 CYCLOHEXANE
RATE(GV)=3E6,COMP=90/8/4,2
PLANT
PROP STREAM=18,TEMP=120,PRES=615,PHASE=L,&
RATE(LV)=225,COMP=.5/1.5/4,98
PROP STREAM=7,TEMP=295,PRES=474,REFSTREAM=5
NAME 1,A6-RX1/2,A6-RX2/3,A6-RX3/4,H2 FEED/&
17,CYCLOHEXANE/18,RC CYCLO/23,RC HYDROGEN/21,VENT GAS
UNIT OPERS DATA
MIXER UID=M1,NAME=FD MIX
FEED 1,4,20,23
PROD M=5
CONT UID=CON1,NAME=RECYCLE RATE
SPEC STREAM=5,COMP=1,RATE,VALUE=7772.5,ATOL=.1
VARY STREAM=23,RATE
HX NAME=FD-EFFL,UID=E1
HOT FEED=10,L=11,DP=5
COLD FEED=5,L=6,DP=5
OPER HTEMP=320
CONFIG TPASS=6,SPASS=1,U=110
HX UID=E2,NAME=FD HEATER
COLD FEED=6,M=7,DP=5
OPER CTEMP=295
UTILITY STEAM,PSAT=300
REACTOR UID=RX1,NAME=REACTOR 1
FEED 7
PROD V=8
OPER PHASE=V,DP=15,TEMP=410
RXCALC CONV,REFPHASE=V,REFTEMP=77
STOI 1,-3/3,-1/4,1
PLANT
CONV 0.97
BASE COMPONENT=3,HEAT=-87
HX NAME=COOLER,UID=E3
HOT FEED=12,L=13,DP=5
OPER HTEMP=120
UTILITY WATER,TIN=60,TEMP=120
FLASH NAME=SEPARATOR,UID=D1
FEED 13
PROD V=14,L=15
ADIA DP=31
SPLITTER NAME=CH SPLIT,UID=S1
FEED 15
PROD L=16,L=17
SPEC STREAM=16,RATE(LV),RA-
TIO,STREAM=15,RATE(LV),VALUE=.65
PUMP NAME=PUMP,UID=P1
FEED 16
PROD L=18
OPER PRES=615
SPLITTER UID=S2,NAME=CH SPLIT
FEED 18
PROD L=19,L=20
SPEC STREAM=20,RATE(LV),RA-
TIO,STREAM=16,RATE(LV),VALUE=0.4
P4 CYCLOHEXANE
END
PLANT
Results The recycle converges with a hydrogen recycle rate of 7326 lb mole/hr. This
compares with a hydrogen feed to the process of 1423 lb mole/hr. The vent gas rate
is 308 lb mole/hr.
The work required by the recycle compressor to increase the pressure by 86 psi is
881HP.
The flow sheet solves using the default substitution convergence method, but
Wegstein acceleration makes a considerable difference to the speed. With no
acceleration, 36 trials are required, and with the default value for WEGL, 23 are
required. Reducing WEGL to -100 brings this down to 9 trials.
Output PRO/II establishes the number of recycles and identifies the recycle streams. These
are shown on the Calculation Sequence and Recycle output.
The compressor details were required and so the output is shown. The reactor
results are also presented.
The final page of the stream summary shows the total feed (31) and product (32).
The mass flow rates are the same within the recycle tolerance.
RECYCLE LOOPS
RECYCLE STREAMS
18 14,P1 1,S2 1
23 16,RC1 2,M1 1
PLANT
FEEDS 22
PRODUCTS VAPOR 23
OPERATING CONDITIONS
P4 CYCLOHEXANE
MOLE PERCENT VAPOR 100.0000 100.0000 100.0000
MOLE PERCENT LIQUID 0.0000 0.0000 0.0000
PLANT
ACT VAP RATE, M FT3/MIN 1.8588
ADIABATIC EFF, PERCENT 75.0000
POLYTROPIC EFF, PERCENT 76.8160
ISENTROPIC COEFFICIENT, K 1.4045
POLYTROPIC COEFFICIENT, N 1.5998
HEAD, FT
ADIABATIC 36282.14
POLYTROPIC 37160.66
ACTUAL 48376.18
WORK, HP
THEORETICAL 661.40
POLYTROPIC 677.41
ACTUAL 881.86
OPERATING CONDITIONS
INLET OUTLET
—————- —————-
FEED 7
VAPOR PRODUCT 8
TEMPERATURE, F 295.00 485.00
PRESSURE, PSIG 473.9999 464.0000
REACTION DATA
LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
————————— —————- —————- —————-
3 BENZENE 1 173.6885 0.9000
OPERATING CONDITIONS
INLET OUTLET
—————- —————-
FEED 2
8
19
VAPOR PRODUCT 9
TEMPERATURE, F 355.65 450.00
PRESSURE, PSIG 464.0000 454.0000
REACTION DATA
P4 CYCLOHEXANE
————————— —————- —————- —————- —————-
1 HYDROGEN 7257.5010 -296.7803 6960.7207 0.0409
PLANT
2 METHANE 870.5833 0.0000 870.5833
3 BENZENE 147.6519 -98.9268 48.7251 0.6700
4 CH 970.0803 98.9268 1069.0071
LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
————————— —————- —————- —————-
3 BENZENE 1 98.9268 0.6700
OPERATING CONDITIONS
INLET OUTLET
—————- —————-
FEED 11
VAPOR PRODUCT 12
TEMPERATURE, F 320.00 410.00
PRESSURE, PSIG 449.0000 434.0000
REACTION DATA
LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
————————— —————- —————- —————-
3 BENZENE 1 97.2770 0.9700
STREAM ID 23 31 32
NAME RC HYDROGEN
PHASE VAPOR MIXED MIXED
P4 CYCLOHEXANE
API GRAVITY 812.193 194.828 86.156
PLANT
———— VAPOR ————-
RATE, LB-MOL/HR 7325.979 1427.772 308.316
M LB/HR 36.082 4.167 1.519
M FT3/HR 99.084 15.532 4.694
STD VAP RATE(1), M FT3/HR 2780.068 541.812 117.000
SPECIFIC GRAVITY (AIR=1.0) 0.170 0.101 0.170
MOLECULAR WEIGHT 4.925 2.918 4.925
Z (FROM K) 1.0163 1.0222 1.0135
ENTHALPY, BTU/LB -173.616 -595.971 -235.805
CP, BTU/LB-F 1.545 2.416 1.527
DENSITY, LB/M FT3 364.151 268.249 323.515
(1) STD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
Process The flow sheet is shown in Figure P5.1. All the columns operate at 780 psia with
Data condensers at 760 psia. The feed composition is shown in Table P5.1, and the
required product recoveries and purities are listed in Table P5.2.
P5 NAPHTHALENE
RECOVERY
Figure P5.1
Naphthalene Recovery Flow Sheet
Table P5.2
COLUMN SPECIFICATIONS
Column Specifications
99.3% Recovery of Naphthalene in overhead
First Column
99.5% Recovery of Anthracene in bottoms
1% Loss of 1,2,4 Methyl Benzene in bottoms
P5 NAPHTHALENE
Second Column
15% Weight purity of Naphthalene in overhead
RECOVERY
Methods Not all of the required components are available in the SimSci Data Library. However,
and Data the molecular weights, gravities, and boiling points of the missing components are
known and are entered using the PETRO option. PRO/II uses this information to
estimate all the other properties required in the simulation.
Grayson-Streed K-values are recommended for applications with this type of com-
ponent. Lee-Kesler is used for enthalpies and densities.
Simulation The first step is to establish the number of stages and the feed tray locations using
Model shortcut models for the columns. The shortcut uses the Fenske method to calculate
the minimum trays at total reflux for the specified products.
P5 NAPHTHALENE
COMP(W)=376/101/5.5/9.6/13.2/5.1/2266/&
RECOVERY
62.3/78.9/55.9/72.1/90.6/110.5/213
UNIT OPS DATA
SHORT UID=SC1
PROD STREAM=2,PRES=760,PHAS=V,RATE=25
PROD STREAM=3,PRES=780,PHAS=L
EVAL MODEL=CONV,KEYL=7,KEYH=14
SPEC STREAM=2,COMP=7,RATE,RATIO,REFFEED,VALUE=0.993
SPEC STREAM=3,COMP=14,RATE,RATIO,REFFEED,VALUE=0.995
FEED F100
COND TYPE=PARTIAL
Output Selected results are shown for each shortcut column. Feed tray location, number of
(Shortcut) theoretical stages, reflux ratios, condenser and reboiler duties have been calculated
for a variety of operating points. The number of trays used in the rigorous model will
be twice the minimum.
P5 NAPHTHALENE
RECOVERY
UNIT 1, ’SC1’
FEEDS
STREAM PHASE
------------ ------------
F100 LIQUID
PRODUCTS
SPECIFICATIONS
P5 NAPHTHALENE
MINIMUM REFLUX RATIO 0.06740
RECOVERY
FEED CONDITION Q 1.62208
FENSKE MINIMUM TRAYS 3.67542
FEEDS
STREAM PHASE
------------ ------------
2 VAPOR
PRODUCTS
SPECIFICATIONS
FEEDS
STREAM PHASE
------------ ------------
5 LIQUID
PRODUCTS
SPECIFICATIONS
P5 NAPHTHALENE
FENSKE MINIMUM TRAYS 10.91682
RECOVERY
THEORETICAL TRAYS 2.00 * M-MINIMUM
STREAM ID 5 6 7
P5 NAPHTHALENE
NAME
RECOVERY
Input Data The shortcut models are replaced with rigorous column simulations. Simple initial
(Rigorous) estimates use values taken from the shortcut results.
The specifications are exactly the same as used in the shortcut simulation. The
condenser and reboiler duties are varied to meet the specifications.
Input Data File:
TITLE PROBLEM=P5R,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT
90
DESC NAPHTHELENE SEPARATION
DIME METRIC,PRES=MMHG,XDEN=SPGR
COMPONENT DATA
LIBID 1,124MBENZ/2,INDENE/3,MCRESOL/4,24XYLNOL/&
5,DODECANE/6,23XYLNOL/7,NAPHTHLN/&
10,2MNAPHTH/14,ANTHRCEN
PETRO 8,DIPHENYL ,154.2,1.0076,254.6 /&
9,23DIMHAPH ,156.2,1.0407,268.0 /&
11,ACENAPH ,154.2,1.0930,279.8 /&
12,DIBENZOF ,168.2,0.9947,274.6 /&
P5 NAPHTHALENE
13,FLUORENE ,166.2,1.0762,297.33
RECOVERY
THERMODYNAMIC DATA
METHODS KVALUE=GS,ENTHALPY=LK,DENSITY(L)=LK
STREAM DATA
PROP STREAM=F100,TEMP=100,PRES=780,&
COMP(W)=376/101/5.5/9.6/13.2/5.1/2266/&
62.3/78.9/55.9/72.1/90.6/110.5/213
UNIT OPERATIONS
COLUMN UID=C1
PARAM TRAY=7
FEED F100,5
COND TYPE=PARTIAL,PRESS=760
PROD OVHD=2,23.6,BTMS=3
HEAT 1,1/2,7
VARY HEAT=1,2
PSPEC TOP=780
ESTI CTEMP=222,RTEMP=298,RRATIO=0.34
SPEC STREAM=2,RATE,COMP=7,RATIO,REFFEED,VALUE=0.993
SPEC STREAM=3,RATE,COMP=14,RATIO,REFFEED,VALUE=0.995
Output The results for column C3 are shown here. The molar component flow rates are also
RECOVERY
IN/OUT METHOD 3
COLUMN SUMMARY
P5 NAPHTHALENE
20 253.6 780.00 57.1 56.1
RECOVERY
21 260.2 780.00 56.2 55.0
22 266.6 780.00 54.2 2.1L 0.6569
SPECIFICATIONS
STREAM ID 5 6 7
NAME
RECOVERY
P5 NAPHTHALENE
RECOVERY
Process The flow sheet is shown in Figure P6.1. The feed stream is given in Table P6.1.
Data
P6 MTBE
SEPARATION
Figure P6.1
MTBE Separation Flow Sheet
Methods The recovery of MTBE from a C4 mixture is a non-ideal separation, and equations
and Data of state will not give good results for the equilibrium calculations. Instead, the
UNIFAC method is selected. This method generates interaction parameters for the
UNIQUAC equation based on the structural groups in the component molecules. All
the necessary data for the groups in this simulation are stored in the PRO/II databank.
Vapor phase fugacities are calculated with the Soave-Redlich-Kwong equation, and
the Poynting correction is applied to the liquid fugacities. The default ideal enthalpies
and densities are used.
Simulation The conventional column model is used for this simulation. As no solution method
Model is specified, the default IO method is used.
The feed is flashed into the column and some vapor is produced. The SEPARATE
option specifies that the vapor portion is fed to the tray above the feed tray. The
SEPARATION
default would put the liquid on top of the feed tray and the vapor beneath it.
The column specifications are the MTBE recovery in the bottom product and the
P6 MTBE
reflux ratio limit of 0.8. The default tolerance on a specification is 1%. This is clearly
too loose for the recovery specification, and so an absolute tolerance of 0.0001 is
defined. The reboiler and condenser duties are varied to meet the specifications.
TITLE PROBLEM=P6,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DESC MTBE RECOVERY COLUMN
PRINT PERCENTAGE
COMPONENT DATA
LIBID 1,PRLN/2,C3/3,IC4/4,IBTE/5,BUT1/&
6,13BD/7,NC4/8,BTT2/9,BTC2/10,MEOH/&
11,IC5/12,MTBE/13,TBA/14,MTAE
THERMODYNAMIC DATA
METHOD SYSTEM=UNIFAC,PHI=SRK
KVALUE POYNTING=YES
STREAM DATA
PROP STREAM=1,TEMP=160,PRES=150,RATE=3143.48, &
COMP=1,116.6/2,88.26/3,978.2/4,8.75/ &
5,343.8/6,6.02/7,433.8/8,400.5/ &
9,268/10,142.1/11,33.07/12,321.8/ &
13,0.55/14,2.17
UNIT OPERATIONS
COLUMN UID=C1,NAME=MTBE
PARAM TRAY=34
FEED 1,15,SEPARATE
COND TYPE=BUBBLE,PRESS=116
PROD OVHD=2,BTMS=3,350
HEAT 1,1,-50/2,34,50
PSPEC TOP=121,DPCOL=15
ESTI MODEL=CONVENTIONAL,RRATIO=0.8
SPEC COLUMN=C1,RRATIO,VALUE=0.8
SPEC STREAM=3,RATE,COMP=12,RATIO, &
REFFEED,VALUE=0.998,ATOL=0.0001
VARY HEAT=1,2
END
P6 MTBE
SEPARATION
Results The column solves with the 99.8% MTBE recovery at the limiting reflux ratio of 0.8.
The condenser and reboiler duties are -43.7 and 43.2 MM Btu/hr respectively. The
bottom product is 99.3% pure MTBE.
Conclusions The simulation shows that the column can meet the new service as long as the duties
can be met, and an MTBE purity of 99.3% is acceptable.
Output The column summary is presented together with the stream component flow rates
and compositions.
IN/OUT METHOD 6
COLUMN SUMMARY
SPECIFICATIONS
P6 MTBE
SEPARATION
STREAM ID 1 2 3
NAME
PHASE LIQUID LIQUID LIQUID
STREAM ID 1 2 3
NAME
PHASE LIQUID LIQUID LIQUID
P6 MTBE
SEPARATION
Process The process flowsheet for the propylene chlorination plant is shown below in Figure
Data P7.1. The system consists of the reactor, main separator, hydrochloric acid
scrubber, allyl chloride column, propylene recycle drier and compressor, and the
associated pump and heat exchangers. Plant feeds include propylene and chlorine.
P7 PROPYLENE
CHLORINATION
Figure P7.1
Propylene Chlorination Plant Flowsheet
Table P7.1
Process Information
Feeds Propylene Chlorine
lbmole/hr 100.00 113.88
Temperature (F) 60.0 80.0
Pressure (psia) 200.0 100.0
Temperature
Units Pressure psia Deg F
Propylene Compressor 88.8 ----
Reactor 73.5 800.0
Reactor-Aftercooler ---- 50.0
Allyl Chloride Pump 100.0 ----
Allyl Chloride Cooler ---- 20.0
Bottom
Separators Top Pressure psia Pressure psia
Propylene Separator 20.0 27.0
HCI Separator 19.0 19.0
Drier 18.0 18.0
Allyl Chloride Separator 14.7 19.7
Separation Specifications
Propylene Separator 99.9% Propylene Recovery
90% Allyl Chloride Recovery
HCI Separator 100% HCI Recovery
Drier 1% loss of Chlorine and Propylene
Allyl Chloride Separator 99% Recovery of Allyl Chloride
99% Recovery of 1,2-Dichloropropane
Methods The Soave-Redlich-Kwong (SRK) system is specified with COSTALD liquid densi-
and Data ties as recommended in Section 25, Application Guidelines, of the PRO/II Keyword
Input Manual. Soave-Redlich-Kwong is a cubic equation of state recommended for
most light-hydrocarbon, petrochemical applications. Other methods recommended
for this type of system include Peng-Robinson and Benedict-Webb-Rubin-Starling
equations of state.
CHLORINATION
Table P7.2 provides the components present in the flowsheet and the reaction rates
P7 PROPYLENE
Kinetic Data
Simulation The simulation flowsheet is shown in Figure P7.1. Pure chlorine and the combined
Model propylene feed stream (pure feedstock and the recycle stream) are fed to the reactor
which is maintained at 800 F and has a volume of 10 cubic feet. The reactor
products are mixed with some of the recycled chlorinated propylenes and cooled to
56 F before entering the main separator.
The main separator is modeled as a shortcut distillation column. Propylene is the
overhead product and chlorinated propylenes are the bottoms product. Seventy
percent of the bottoms product is pumped, cooled, and recycled back to the main
separator, and the remaining 30 percent is separated into allyl chloride and other
chlorinated propylenes using a second shortcut distillation column.
The overhead product from the main separator feeds the hydrochloric acid scrubber,
P7 PROPYLENE
the bottoms product. The overhead product then passes through a drier where
water is removed along with a small loss of chlorine and propylene (note that water
is excluded from the simulation since its effect on the process is negligible). The
recycle propylene drier is also modeled as a stream calculator. This dehydrated
propylene recycle stream is compressed and mixed with the pure propylene feed
stream and fed to the reactor to close the recycle loop.
Input Data A molar flow estimate is provided for the overhead from the first shortcut column
(Note 2). This estimate is based on zero recycle initially (the estimate must always
be less than the feed to the shortcut column or failure will occur). In the RECYCLE
data section, the Wegstein acceleration method is applied (Note 1).
COMPONENT DATA
LIBID 1,HCL / 2,CL2 / 3,PROPYLEN / 4,ALLYLCL / 5,12DCLPRP / &
6,13DCLPRE
THERMO DATA
METHODS SYSTEM=SRK, DENSITY(L)=COSTALD
STREAM DATA
PROP STREAM=PRPL, TEMP=60, PRES=200, COMP=3,100
PROP STREAM=CL2, TEMP=80, PRES=100, COMP=2,113.88
NAME CL2, CHLORINE / PRPL, PROPYLENE / S6, MAIN RECYCLE / &
S14, ALCL RECYCLE / S4, HCL PRODUCT / S10, DRIER LOSS / &
ALCL,ALLYL CHLOR / DICL,DICHLORIDES
UNIT OPERATIONS
COMPRESSOR UID=10
FEED S6
CHLORINATION
PROD V=S6A
OPER PRESSURE=88.8
P7 PROPYLENE
MIXER UID=1
FEED PRPL,S6A
PROD M=S9
HX UID=3
HOT FEED=S13,S14,L=S1
OPERATION HTEMP=50
SPLIT UID=5
FEED S2
PROD L=S12,L=S11
SPEC STREAM=S11, RATE, RATIO, REFFEEDS, VALUE=0.7, ATOL=0.0001
PUMP UID=6
FEED S11
PROD L=S11A
OPER PRES=100
HX UID=6A
HOT FEED=S11A,M=S14
OPERATION HTEMP=20
RECYCLE DATA
ACCEL TYPE=WEGS, START=3, WEGL=-50 $NOTE 1
END
Results The recycle loop converged in 43 iterations. Single pass conversion rates are as
follows:
Propylene 7.5 percent
Chlorine 51.3 percent
The reactor effluent cooler and main separator bottoms cooler duties are 26.0 MM
Btu/hr and 1.0 MM Btu/hr respectively. The propylene recycle compressor hydraulic
horsepower is 820 hp.
Conclusions The plant product yields for this propylene feed rate are:
Hydrochloric Acid 3600 lb/hr
Allyl Chloride 3900 lb/hr
Dichlorides 4200 lb/hr
Output Partial results are shown below for the simulation input given above. Output is
shown for:
1) Reactor
2) Shortcut Columns
3) Stream Calculators
4) Stream Molar Component Flowrates
CHLORINATION
P7 PROPYLENE
OPERATING CONDITIONS
INLET OUTLET
------------------------ ------------------------
FEED CL2
S9
VAPOR PRODUCT S13
TEMPERATURE, F 126.03 800.00
PRESSURE, PSIA 88.8000 73.5000
REACTION DATA
LB-MOL/HR /
FT3 FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
----------------------------------------------------------------------------------------------------------------------------------------------------
-
2 CL2 1 -7.5216 0.3425
2 CL2 2 -1.3681 0.0623
2 CL2 3 -2.3802 0.1084
REACTION -E/RT
------------------------ ------------------------
1 -10.7971
P7 PROPYLENE
2 -2.7231
3 -16.9094
CHLORINATION
FEEDS
STREAM PHASE
---------------- ----------------
S1 MIXED
PRODUCTS
STREAM PHASE -------------------- MATERIAL BALANCES -------------------- SECTION NO OF
LB-MOL/HR LB/HR FT3/HR TRAYS
----------------------------------------------------------------------------------------------------------------------------------------------------
S3 VAPOR 1321.75 58797.66 1595.51 1 2.65
S2 LIQUID 297.23 27100.21 410.10
SPECIFICATIONS
FEEDS
STREAM PHASE
---------------- ----------------
S12 LIQUID
PRODUCTS
STREAM PHASE -------------------- MATERIAL BALANCES -------------------- SECTION NO OF
LB-MOL/HR LB/HR FT3/HR TRAYS
-------------------------------------------------------------------------------------------------------------------------------------------------
ALCL VAPOR 51.32 3920.40 66.67 1 6.42
DICL LIQUID 37.85 4209.65 56.36
SPECIFICATIONS
S3 1.000
VAPOR S5 S4
S5 1.000
VAPOR S6 S10
P7 PROPYLENE
CHLORINATION
STREAM ID S1 S2 S3 S4
NAME HCL PRODUCT
PHASE MIXED LIQUID VAPOR VAPOR
CSTR UID=CST1
RXCALC REFPHASE=V
FEED CL2,S9
PROD V=S13
OPER VOLUME=10.0, PHASE=V, TEMP=800, PRES=73.5
STOI 3,-1,1 / 2,-1,1 / 4,1,0 / 1,1,0
BASE PEXP=2.1E11, ACTIVATION=27.0096, COMP=2
STOI 3,-1,1 / 2,-1,1 / 5,1,0
BASE PEXP=1.19E7, ACTIVATION=6.81198, COMP=2
STOI 4,-1,1 / 2,-1,1 / 6,1,0 / 1,1,0
BASE PEXP=4.69E14, ACTIVATION=4.23E1, COMP=2
With:
GIBBS UID=GIB1
FEED CL2,S9
PROD V=S13
OPER PHASE=V,TEMP=800,PRES=73.5
ELEM REAC=1/2/3/4/5/6
CONV PERCENT=2,60.0
The lower limit of the Wegstein acceleration factor (WEGL) is increased to -10 in
the recycle data since the faster acceleration is not necessary in this case (the
WEGL keyword could be omitted since the default value of -5 is acceptable, but the
WEGL specification is retained here for purposes of illustration).
Output Because the reactor products change significantly with this revised reactor specifi-
cation, this solution is very different than the previous solution. Only the reactor
summary and stream molar component flowrates are shown here.
P7 PROPYLENE
CHLORINATION
OPERATING CONDITIONS
INLET OUTLET
-------------------- --------------------
FEED CL2
S9
VAPOR PRODUCT S13
TEMPERATURE, F 75.93 800.00
PRESSURE, PSIA 88.8000 73.5000
REACTION DATA
STREAM ID S1 S2 S3 S4
NAME HCL PRODUCT
PHASE MIXED LIQUID VAPOR VAPOR
P7 PROPYLENE
CHLORINATION
COLUMN
You have been asked to design a distillation column to separate a methanol/water
mixture containing approximately 30% methanol. The methanol product, which is
recovered overhead, must have a purity of 96% with a recovery of 99.9% of the
methanol in the feed.
You must determine the column configuration, the required condenser and reboiler
duties, and the diameter of the column.
Process A schematic of the column is shown in Figure C1.1. The condenser operates at the
Data bubble point of the overhead. The composition of the feed is given in Table C1.1.
Figure C1.1
Methanol Dryer Column
Component kmol/hr
Methanol 420
C1
Water 1010
Temperature Bubble point
Pressure(mmHg) 760
Methods Measured equilibrium data are used to derive binary interaction constants for the
and Data NRTL equation. NRTL will accurately model non-ideal behavior and predict the
formation of any azeotrope. The vapor pressure and enthalpy data are taken from
the PRO/II library, and ideal vapor phase behavior is assumed.
The constants are regressed from pressure-temperature-liquid and vapor composi-
tion data using Simsci’s REGRESSTM program. The equilibrium composition data
at 760 mmHg are shown in Table C1.2.
Table C1.2
ATMOSPHERIC BINARY DATA
C1 DRYER
Table C1.3. Methanol is component 1 and water is component 2.
COLUMN
Table C1.3
NRTL CONSTANTS
A12 -121.89
A21 427.30
α 0.2835
NRTL was chosen for this simulation, but REGRESS may be used to obtain
coefficients for any of the liquid activity methods available in PRO/II.
Simulation The first step in any column design is to establish the number of theoretical trays and
Model the location of the feed. You know from past experience that between 10 and 20
theoretical trays are usually required for this type of separation, with the feed located
near the middle of the column. The initial column model will therefore contain 15
trays, including the condenser and reboiler, with the feed to tray 8.
The column is modeled as a conventional fractionator using the default IO solution
method. The specifications are the required methanol purity and recovery, and the
condenser and reboiler duties are varied to meet them.
The tray sizing option calculates the diameter of each tray to meet the design flooding
factor. All the trays are then automatically rated at the largest calculated diameter.
Input Data Metric dimensional units are used for this simulation with the pressure changed to
mmHg. Component percentage printout is requested in order to show the product
purities.
The tray sizing calculations are requested with the TSIZE statement. The tray
spacing is defined as 450mm, and the default tray type of sieve trays is used. The
design flooding factor is determined by PRO/II as a function of diameter.
Input Data File:
TITLE PROBLEM=C1,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIME METRIC,PRES=MMHG
PRINT PERCENT
COMPONENT DATA
LIBID 1,METHANOL/2,WATER
THERMO DATA
METHOD KVALUE=NRTL,ENTH=LIBR,PHI=IDEAL
KVALUE POYNTING=NO
NRTL(K) 1,2,,-121.89,,427.30,0.2835
STREAM DATA
PROP STREAM=1,PHAS=L,PRES=760,COMP=420/1010
PARA TRAY=15
FEED 1,8
PROD OVHD=2,420,BTMS=3
C1
PSPE TOP=760
COND TYPE=BUBB,PRES=760
HEAT 1,1/2,15
SPEC STREAM=2,COMP=1,RATE,RATIO,STREAM=1,VALUE=0.999
SPEC STREAM=2,COMP=1,FRACT,VALUE=0.96,ATOL=0.001
VARY HEAT=1,2
ESTI MODEL=CONV
TSIZE SPACING=450
END
Results The chosen column configuration meets the required specifications with condenser
and reboiler duties of -7.99 Gcal/hr and 8.25 Gcal/hr respectively. The required
column diameter is 2.286 m.
Conclusions Although the specifications are met by this configuration, it will be worthwhile
investigating different numbers of trays in the column and different feed tray locations,
as there may be a more cost effective solution.
If more trays are used, the capital cost will increase, but the duties and, therefore,
the operating costs will be lower. The optimum design is always a compromise
between capital and operating costs.
Output The column summary shows the required duties and the reflux to the column. The
L/D reflux ratio is the ratio of the liquid from tray 1 and the overhead product rate. In
this example, it is 1.16. The required diameter for each tray is shown on the tray
sizing output. This is followed by the rating results using the largest calculated
diameter.
The stream output shows the component rates and purities. The water product is
99.96% pure.
COLUMN
UNIT 1, ’N-1’, ’MEOH DRYER’
IN/OUT METHOD 6
COLUMN SUMMARY
SPECIFICATIONS
TRAY VAPOR LIQUID VLOAD ---- DESIGN ---- NEXT SMALLER NEXT LARGER NP
CFS HOTGPM CFS DIA, MM FF DIA, MM FF DIA, MM FF
-------- --------- ------------ --------- ------------- -------- ------------- -------- ------------- -------- ----
2 256.6 89.0 9.834 2196.2 78.0 2134. 82.8 2286. 71.8 1
3 255.8 84.0 9.650 2176.9 78.0 2134. 81.3 2286. 70.5 1
4 254.9 77.9 9.419 2152.6 78.0 2134. 79.4 2286. 68.9 1
5 254.0 70.8 9.139 2122.6 78.0 1981. 90.1 2134. 77.2 1
6 253.0 63.1 8.822 2088.1 78.0 1981. 87.1 2134. 74.6 1
7 252.2 56.2 8.513 2053.7 78.0 1981. 84.1 2134. 72.1 1
8 251.7 214.1 8.273 2143.6 78.0 2134. 78.7 2286. 68.7 1
9 250.7 201.9 7.887 2099.6 78.0 1981. 87.6 2134. 75.5 1
10 249.6 181.7 7.231 2023.1 78.0 1981. 81.3 2134. 70.2 1
11 250.6 164.2 6.665 1955.7 78.0 1829. 89.3 1981. 76.0 1
12 252.9 156.1 6.420 1928.2 78.0 1829. 86.8 1981. 73.9 1
13 254.2 153.5 6.345 1920.2 78.0 1829. 86.0 1981. 73.3 1
14 254.7 152.7 6.324 1918.0 78.0 1829. 85.8 1981. 73.1 1
COLUMN
UNIT 1, ’N-1’, ’MEOH DRYER’ (CONT)
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF NP DROP GPM/LWI BACKUP, MM
CFS HOTGPM CFS MM MM HG GPM/IN CLEAR LIQD
-------- --------- ------------ --------- -------- -------- ---- ------------ ------------- --------------------
2 256.6 89.0 9.834 2286. 72.2 1 5.595 1.9 169.90
3 255.8 84.0 9.650 2286. 71.0 1 5.482 1.8 166.00
4 254.9 77.9 9.419 2286. 69.5 1 5.348 1.7 161.23
5 254.0 70.8 9.139 2286. 67.6 1 5.197 1.5 155.61
6 253.0 63.1 8.822 2286. 65.4 1 5.043 1.4 149.48
7 252.2 56.2 8.513 2286. 63.3 1 4.912 1.2 143.72
8 251.7 214.1 8.273 2286. 68.7 1 5.920 4.7 189.74
9 250.7 201.9 7.887 2286. 66.1 1 5.685 4.4 181.59
10 249.6 181.7 7.231 2286. 61.8 1 5.318 3.9 168.52
11 250.6 164.2 6.665 2286. 58.2 1 5.037 3.6 157.80
12 252.9 156.1 6.420 2286. 56.6 1 4.932 3.4 153.18
13 254.2 153.5 6.345 2286. 56.2 1 4.904 3.3 151.73
14 254.7 152.7 6.324 2286. 56.0 1 4.897 3.3 151.31
STREAM ID 1 2 3
NAME FEED METH PROD WATER PROD
C1
C2 NH3-H2O
In addition, an acetone-rich side draw stream, and a bottoms stream composed
ACETONE
primarily of water are to be produced.
Process The flowsheet for this problem is shown in Figure C2.1. The feed stream information
Data is given in Table C2.1, and the process information in Table C2.2.
Figure C2.1
NAH Column
Component kmoles/hr
Ammonia 3702.77
Acetone 17.93
Water 126.55
ACETONE
C2 NH3-H2O
Temperature(K) 473.00
Pressure Feed Tray Pressure
Table C2.2
Process Information
Condenser pressure 1555 kPa
Column top pressure 1565 kPa
∆P/tray 1.5 kPa
Liquid side draw rate 18 kg moles/hr
Reflux rate 2500 kg moles/hr
Overhead product rate 3702 kg moles/hr
Methods The ammonia-acetone-water system is non-ideal and the K-values are calculated
and Data using the NRTL liquid-phase activity coefficient method. The vapor phase is assumed
ideal and no vapor phase associations are taken into consideration. Library vapor
phase and enthalpy data are used.
Simulation The separation column is modeled as an ordinary distillation column with 18 theo-
Model retical stages (including the condenser and reboiler). The feed is introduced on stage
14 at the column pressure. The overhead condenser is modeled as a total condenser
with a bubble point product. The side draw rate off stage 6 is set on the PRODUCT
statement. Performance specifications are used for the overhead product rate and
the molar reflux flow rate. The reboiler and condenser duties are variables calculated
to meet these specifications. The initial estimate generator MODEL=CONVEN-
TIONAL is used with a molal reflux rate estimate equal to the specified reflux rate to
generate the initial column temperature and vapor-liquid rate profiles.
Input Data SI dimensions are used for the simulation. The standard input reprint summary is
suppressed.
COMPONENT DATA
LIBID 1,AMMONIA/2,ACETONE/3,WATER
C2 NH3-H2O
ACETONE
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL,ENTH=PURE,TRANSPORT=PURE
STREAM DATA
PROP STRM=1,TEMP=473, &
COMP(M)=1,3702.77/2,17.93/3,126.55
NAME 1,FEED/2,BOTTOMS/3,OVERHEAD/ &
4,SIDE DRAW
UNIT OPERATIONS
COLUMN UID=NAH,NAME=NAH TOWER
PARA TRAY=18,CHEM=20
FEED 1,14,NOTSEPARATE
COND TYPE=BUBB,PRES=1555
PROD OVHD=3,3702,BTMS=2,LDRAW=4,6,18
DUTY 1,1,-78/2,18,10
ESTI MODEL=CONV,REFLUX=2500
VARY DUTY=1,2
PSPEC TOP=1565,DP=1.5
PRINT ITER=ESTI,PROP=PART,KVALUES,COMP=M
SPEC REFLUX,VALUE=2500
SPEC STREAM=3,RATE,VALUE=3702
END
CHEM METHOD 12
COLUMN SUMMARY
C2 NH3-H2O
PROD 2 LIQUID 18 127.25 1.9418
ACETONE
OVERALL MOLE BALANCE, (FEEDS - PRODUCTS) -8.3819E-05
OVERALL HEAT BALANCE, (H(IN) - H(OUT) ) -7.8457E-06
SPECIFICATIONS
REFLUX RATIOS
TRAY 1 TRAY 2
COMPONENT X Y X Y
---------------------------- ---------------------------- ------------------------ ------------------------
1 AMMONIA 0.99951 0.99998 0.98671 0.99951
2 ACETONE 4.9242E-04 1.7888E-05 0.01329 4.9242E-04
3 WATER 9.0020E-10 7.9928E-13 9.5416E-07 9.0020E-10
TRAY 3 TRAY 4
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.87104 0.99437 0.47227 0.94940
2 ACETONE 0.12873 0.00563 0.52185 0.05051
3 WATER 2.2588E-04 3.5490E-07 0.00589 8.6680E-05
TRAY 7 TRAY 8
ACETONE
C2 NH3-H2O
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.12235 0.65610 0.12003 0.64592
2 ACETONE 0.85032 0.33490 0.84760 0.34307
3 WATER 0.02733 0.00900 0.03237 0.01101
TRAY 9 TRAY 10
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- --------------------
1 AMMONIA 0.12156 0.64417 0.12504 0.64507
2 ACETONE 0.83962 0.34278 0.82706 0.33930
3 WATER 0.03882 0.01305 0.04790 0.01563
TRAY 11 TRAY 12
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.13065 0.64726 0.14004 0.65071
2 ACETONE 0.80754 0.33352 0.77424 0.32459
3 WATER 0.06181 0.01922 0.08572 0.02470
TRAY 13 TRAY 14
COMPONENT X Y X Y
------------------------ ------------------------ -------------------- ------------------------
1 AMMONIA 0.15787 0.65604 0.19558 0.66374
2 ACETONE 0.70738 0.30989 0.53963 0.28284
3 WATER 0.13475 0.03407 0.26479 0.05342
C2 NH3-H2O
ACETONE
TRAY 17 TRAY 18
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 AMMONIA 0.00493 0.01985 9.3010E-04 0.00527
2 ACETONE 0.06684 0.36357 0.00777 0.07183
3 WATER 0.92822 0.61657 0.99130 0.92290
Process The flowsheet for this problem is shown in Figure C3.1. The feed stream information
Data is given in Table C3.1, and the process information in Table C3.2.
C3 MEK-WATER-
TOLUENE
Figure C3.1
MEK-Water-Toluene Column
Table C3.1
Feed Stream Information
Pressure Temperature
(mmHg) (F)
Feed 760 190
Water Product 760
Dry Product 760
Methods The SIMSCI databank does not contain all the NRTL binary interaction parameters
and Data needed for the components present in this system. The ALCOHOL databank,
however, does contain these binary parameters and is therefore designated as the
C3 MEK-WATER-
primary databank.
TOLUENE
Simulation The separation column is modeled as an ordinary distillation column with 21 theo-
Model retical trays (including a bubble point condenser and reboiler). The feed is introduced
on stage 6. The presence of two liquid phases in the separation column requires that
the CHEMDIST algorithm be used . VLLE thermodynamics is chosen initially only for
the condenser. However, the VLLECHECK statement is used to allow for a switch
from VLE to VLLE thermodynamics, should the presence of two liquid phases be
detected on any of the subsequent stages. The water-rich phase from the condenser
is totally withdrawn, and all of the toluene-rich phase is returned as reflux to the
column. A performance specification is used to set the toluene-rich phase reflux rate
equal to zero, the condenser duty being the variable calculated to meet this specifi-
cation. The reboiler duty is used as the variable calculated to meet the specification
on the water content of the dry bottoms product. The initial estimate generator
MODEL=CHEM is utilized with tray temperature estimates. The number of iterations
allowed for the CHEMDIST algorithm is increased to 30.
Input Data English units are used for the simulation, with stream component weight percentages
selected for the output. Note how the total reflux specification on the toluene-rich
liquid phase (Note 1) and how the column bottom product specifications are met
(Note 2). The print option for the column tray molar compositions is selected.Two
separate NRTL thermodynamic sets (VLE and VLLE) are selected, with the
VLLECHECK statement used to switch trays from VLE to VLLE if necessary (Note
3).
THERMODYNAMIC DATA
STREAM DATA
PROP STREAM=3,TEMP=190,PRES=760,PHASE=M, &
C3 MEK-WATER-
COMP(M)=1,27.4/2,2.22/3,135.49
NAME 3,FEED/7,WATER LAYER/5,DRY PRODUCT
TOLUENE
UNIT OPERATIONS
Results The reboiler duty required is 0.2896 MM Btu/hr, while the condenser duty is 0.1590
MM Btu/hr. Two liquid phases are found to exist on the condenser and the next four
lower trays.
Output The following data were extracted from the PRO/II output:
1) Column Summary
2) Tray Molar Compositions
3) Stream Summary
CHEM METHOD 42
COLUMN SUMMARY
REFLUX RATIOS
C3 MEK-WATER-
REFLUX / LIQUID DISTILLATE 4.4739 4.4739 4.4739
TOLUENE
TRAY 1 TRAY 2
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- --------------------
1 MEK 0.47973 0.50044 0.53928 0.47973
2 H2O 0.39695 0.39413 0.27651 0.39695
3 TOLUENE 0.12332 0.10543 0.18422 0.12332
TRAY 3 TRAY 4
TOLUENE
COMPONENT X Y X Y
-------------------- ------------------------ ------------------------ ------------------------
1 MEK 0.47407 0.44695 0.36888 0.39306
2 H2O 0.29027 0.40266 0.31947 0.41491
3 TOLUENE 0.23566 0.15039 0.31165 0.19203
TRAY 5 TRAY 6
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.26455 0.30648 0.16999 0.22125
2 H2O 0.26547 0.44041 0.02118 0.39806
3 TOLUENE 0.46998 0.25312 0.80883 0.38069
TRAY 7 TRAY 8
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.16999 0.22125 0.16999 0.22125
2 H2O 0.02118 0.39806 0.02118 0.39806
3 TOLUENE 0.80883 0.38069 0.80883 0.38069
TRAY 9 TRAY 10
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.16999 0.22125 0.16999 0.22125
2 H2O 0.02118 0.39806 0.02118 0.39806
3 TOLUENE 0.80883 0.38069 0.80883 0.38069
TRAY 11 TRAY 12
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.16999 0.22125 0.16999 0.22125
2 H2O 0.02118 0.39806 0.02118 0.39805
3 TOLUENE 0.80883 0.38069 0.80883 0.38070
TRAY 13 TRAY 14
C3 MEK-WATER-
COMPONENT X Y X Y
TOLUENE
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17000 0.22127 0.17001 0.22133
2 H2O 0.02117 0.39801 0.02116 0.39789
3 TOLUENE 0.80883 0.38071 0.80883 0.38078
TRAY 15 TRAY 16
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17005 0.22155 0.17020 0.22232
2 H2O 0.02113 0.39743 0.02100 0.39583
3 TOLUENE 0.80883 0.38102 0.80881 0.38186
TRAY 17 TRAY 18
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17070 0.22499 0.17236 0.23393
2 H2O 0.02055 0.39024 0.01911 0.37155
3 TOLUENE 0.80874 0.38477 0.80852 0.39451
TRAY 19 TRAY 20
COMPONENT X Y X Y
-------------------- ------------------------ -------------------- ------------------------
1 MEK 0.17680 0.26023 0.18254 0.31299
2 H2O 0.01526 0.31659 0.00855 0.20174
3 TOLUENE 0.80794 0.42318 0.80891 0.48527
TRAY 21
COMPONENT X Y
------------------------ ------------------------
1 MEK 0.16745 0.34348
2 H2O 0.00246 0.07347
3 TOLUENE 0.83010 0.58305
TRAY 1
RATE, LB-MOL/HR COMPOSITION
COMPONENT L1 PHASE L2 PHASE L1 PHASE L2 PHASE
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0692 4.8840 0.036701 0.578755
2 H2O 1.8168 2.2817 0.963194 0.270380
3 TOLUENE 1.982E-04 1.2731 0.000105 0.150865
C3 MEK-WATER-
TOLUENE
TRAY 2
RATE, LB-MOL/HR COMPOSITION
COMPONENT L1 PHASE L2 PHASE L1 PHASE L2 PHASE
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0141 4.5102 0.033804 0.565801
2 H2O 0.4041 1.9157 0.966086 0.240324
3 TOLUENE 4.610E-05 1.5454 0.000110 0.193875
TRAY 3
RATE, LB-MOL/HR COMPOSITION
COMPONENT L1 PHASE L2 PHASE L1 PHASE L2 PHASE
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0298 3.9077 0.029602 0.535257
2 H2O 0.9752 1.4357 0.970284 0.196654
3 TOLUENE 1.144E-04 1.9572 0.000114 0.268089
TRAY 4
RATE, LB-MOL/HR COMPOSITION
COMPONENT L1 PHASE L2 PHASE L1 PHASE L2 PHASE
------------------------ ------------------------ ------------------------ ----------------------------
1 MEK 0.0420 2.9688 0.023603 0.465035
2 H2O 1.7356 0.8718 0.976284 0.136560
3 TOLUENE 2.006E-04 2.5434 0.000113 0.398405
C3 MEK-WATER-
ENTHALPY, MM BTU/HR 1.0084 1.1340 4.8706E-03
MOLECULAR WEIGHT 87.8207 88.6051 20.0081
TOLUENE
WEIGHT FRAC VAPOR 0.0000 0.0000 0.0000
WEIGHT FRAC LIQUID 1.0000 1.0000 1.0000
Process The flow sheet and the column pressures are shown in Figure C4.1. The column has
Data 10 theoretical stages including the reboiler and bubble point condenser. There is a
conventional reflux to the column from the condenser, and the water feed is added
on the top tray.
The details of the new feed are shown in Table C4.1.
C4 AZEOTROPIC
SEPARATION
Figure C4.1
Azeotropic Tower
Isobutanol 525 -
Acetic Acid 2095 -
Water - 900
Methods Vapor pressures and enthalpy data are taken from the PRO/II library. Coefficients
and Data have been developed for the van Laar liquid activity method to represent the liquid
phase non-ideality. Coefficients may be found in the open literature or developed by
regressing experimental equilibrium data onto any of the liquid activity equations
using SimSci’s REGRESS program.
C4 AZEOTROPIC
SEPARATION
The reliability of the simulation results depends entirely on the accuracy of the
measured data used to derive the activity coefficients.
Because of the low pressure, the vapor phase can be treated as ideal.
Simulation The reflux ratio is to be maintained at the current value of 10:1. The overhead weight
Model rate is specified as 894 lb/hr. The duties are calculated to meet these specifications.
The effect of the increased flow rates in the column will be seen in the tray flooding
factor and the downcomer backups. These parameters are calculated from the tray
configuration by the tray rating option.
Input Data This simulation uses the default English set of units. The PRINT option requests
output of weight flow rates because the feed and specified product rates are in lb/hr.
The unit is modeled as a conventional column and uses the default IO solution
method. The tray rating calculations are specified with the TRATE statement which
supplies the mechanical details of the trays.
The CHEMDIST algorithm can be used in place of the IO. This method solves more
difficult, non-ideal applications, although run times may be longer. Both algorithms
produce identical results.
C4 AZEOTROPIC
HEAT 1,1/2,10
SEPARATION
SPEC RRATIO,VALUE=10
SPEC STREAM=3,RATE(W),VALUE=894
VARY HEAT=1,2
ESTI MODEL=CONV,RRATIO=10
TRATE VALVE,SPACING=22,DIAM=28,NUMBER=55,&
DIAM(VALVE)=1.875,WEIR=1.8,DCC=1.4,DCW=2.15
END
Results The column produces an acetic acid/water product from the bottom of the column
which contains about 0.5 weight % isobutanol. The overhead isobutanol product
contains about 1 weight % acetic acid.
The condenser and reboiler duties are -5.36 and 4.92 MM Btu/hr respectively. The
highest flooding factor is 72% on tray 8. The largest downcomer backup is less than
30% of the tray spacing.
Conclusions The column can handle the increased throughput as long as the calculated duties
are available. The increased internal flow rates will not cause flooding.
Output The column summary shows the duties and the liquid and vapor rates. The tray vapor
and liquid rate output gives the densities and the volume and weight rates.
The tray rating output shows the calculated loads, flooding factors, pressure drops,
and downcomer backups for each tray in the column.
The stream output shows the feed and product compositions and conditions.
IN/OUT METHOD 6
COLUMN SUMMARY
SPECIFICATIONS
C4 AZEOTROPIC
TRAY MW ACTUAL DENS Z STD LIQ ACTUAL
LB/FT3 FROM K M LB/HR FT3/HR GAL/MIN
SEPARATION
-------- ---------------- ------------------------ ---------------- --------------------- --------------------- ---------------------
1 32.829 50.665 0.00000 8.940 163.538 21.999
2 19.550 58.313 0.00000 6.553 106.657 14.010
3 19.068 59.092 0.00000 6.520 104.358 13.756
4 19.799 59.074 0.00000 6.834 109.022 14.424
5 21.126 59.011 0.00000 7.398 117.500 15.629
6 23.352 58.918 0.00000 8.374 132.201 17.720
7 26.906 58.780 0.00000 10.025 157.072 21.264
8 32.164 58.584 0.00000 12.589 195.624 26.792
9 35.611 58.449 0.00000 14.555 225.082 31.047
10 40.590 58.248 0.00000 2.626 40.416 5.621
PRES DOWNCOMER
TRAY VAPOR LIQUID VLOAD DIAM FF DROP GPM/LWI BACKUP, IN
CFS HOTGPM CFS IN PSI GPM/IN CLEAR LIQD
-------- --------- ------------ --------- ------------ -------- ------------ ---------------- --------------------
2 27.00 14.01 0.918 28.0 59.9 0.090 0.9 4.90
3 27.32 13.75 0.915 28.0 59.9 0.091 0.9 4.88
4 27.32 14.42 0.937 28.0 60.8 0.094 1.0 4.98
5 27.48 15.63 0.978 28.0 62.8 0.100 1.0 5.18
6 27.96 17.72 1.051 28.0 66.4 0.110 1.2 5.54
7 28.94 21.26 1.172 28.0 72.4 0.129 1.4 6.18
8 30.51 26.79 1.351 28.0 81.3 0.160 1.8 7.23
9 28.13 31.05 1.264 28.0 76.4 0.148 2.1 6.97
C4 AZEOTROPIC
SEPARATION
STREAM ID 1 2 3 4
NAME FEED SEC FEED OVERHEAD BOTTOMS
PHASE VAPOR LIQUID LIQUID LIQUID
Process The process flowsheet for the phenol extraction system is shown in Figure
Data C5.1. After extraction the spent solvent is heated and depressured through
a let-down valve. It is then distilled to recover 99.5% pure phenol as a bottom
product and a purified benzene stream for recycle. The feed stream infor-
mation and process conditions are given in Tables C5.1 and C5.2.
Table C5.1
Feed Stream Information
Composition
Component (lbmole/hr)
Benzene 0.1001
PHENOL 1.9059
Water 160.6000
Benzoic Acid 0.0002
C5 PHENOL EXT.
PLANT
Table C5.2
Process Conditions
Temperature (F) 86
Methods K-values are computed using the NRTL liquid activity coefficient method for
and Data both VLLE and VLE systems. Missing binary interaction parameters are
supplied using the UNIFAC group contribution method. The VLLE system
is used for the entire flowsheet except for the rerun column, where the VLE
system is used. Ideal vapor phase fugacities are assumed and pure compo-
nent transport properties are used.
Simulation The phenol extraction process flowsheet is shown in Figure C5.1 and the
Model corresponding PRO/II input is shown on the following pages. The liquid-
liquid extractor is modeled as a column with four theoretical stages. The
C5 PHENOL EXT.
aqueous feed is introduced on the top stage and benzene solvent on the
bottom stage.
PLANT
The heat exchanger heats the spent solvent stream to 200 F in order to
reduce the duty of the rerun column reboiler.
The rerun column is modeled as a conventional distillation column with 10
theoretical stages, including the condenser and the reboiler. Both con-
denser and reboiler duties are varied to achieve the specified reflux ratio and
phenol recovery purity.
A calculator is used to determine the amount of benzene carryover from the
recycle stream, which then is discharged from a splitter to maintain the
overall mass balance.
Input Data The phenol recovery specification is met by varying the reboiler duty (Note
1) and the VLE system is specified using the METHOD keyword (Note 2).
COMPONENT DATA
LIBID 1,BENZENE/2,PHOH/3,H2O/4,BENZOIC
THERMODYNAMIC DATA
STREAM DATA
PROP STREAM=1,TEMP=86,PRES=21.3,PHASE=M,RATE(M)=162.6, &
COMP(M)=1,0.1001/2,1.9059/3,160.6/4,0.0002, &
NORMALIZE
PROP STREAM=8,TEMP=86,PRES=21.3,PHASE=M, &
RATE(M)=60, &
COMP(M)=1,218.898/2,0.0022/3,1.1,NORMALIZE
NAME 1,WASTE WATER/8,SOLVENT
UNIT OPERATIONS
COLUMN UID=T-1,NAME=LLEX
C5 PHENOL EXT.
PARAM TRAY=4,LLEX=30
FEED 1,1/8,4
PLANT
PROD OVHD=3,BTMS=2,162
PSPEC PTOP=60,DPCOL=10
TOLERANCE LLE=0.000005,COMP=0.000005
HX UID=HX-1,NAME=PREHEATER
COLD FEED=3,L=4,DP=5
OPER CTEMP=200
UTIL STEAM, TSAT(C)=200
VALVE UID=V-1,NAME=LET-DOWN
FEED 4
PROD V=5
OPER PRES=20
PUMP UID=P-1,NAME=PUMP
FEED 6
PROD L=6X
OPER PRESS=70,EFF=65
CALC UID=C-1,NAME=CALCULATOR
DEFINE P(1), AS, STREAM=1, RATE, COMP=1
DEFINE P(2), AS, STREAM=2, RATE, COMP=1
DEFINE P(3), AS, STREAM=7, RATE, COMP=1
PROCEDURE
R(1)=P(1)-P(2)-P(3)
RETURN
SPLITTER UID=S-1,NAME=DISCHARGE
FEED 6X
PROD L=8,L=8B
SPEC STREAM=8B,COMP=1,RATE,RATIO,CALC=C-1,R(1),VALUE=1
Results The flowsheet solves in three recycle trials. The liquid-liquid extraction
column removes 99.5% of the phenol. The recycled rate converges to 60.10
lbmole/hr of solvent to the extraction column. The rerun column can purify
the spent benzene solvent to 99.33% purity for recycling and recover 99.5%
C5 PHENOL EXT.
LLEX METHOD 11
COLUMN SUMMARY
C5 PHENOL EXT.
FEED 1 LIQUID 1 1.0000 162.60 0.1611
FEED 8 LIQUID 4 1.0000 60.10 0.1343
PLANT
PROD 3 L1OVHD 1 62.02 0.1124
PROD 2 LIQUID 4 160.68 0.1830
OPERATING CONDITIONS
IN/OUT METHOD 14
COLUMN SUMMARY
C5 PHENOL EXT.
TRAY TRAY FRAC LB-MOL/HR MM BTU/HR
PLANT
---------------- ------------------------ ---------------- ------------ ------------ ---------------- ---------------------------- --------------------
--------
FEED 5 MIXED 5 0.9504 62.02 0.3554
PROD 6 LIQUID 1 60.12 0.1329
PROD 7 LIQUID 10 1.91 0.0337
SPECIFICATIONS
STREAM ID 5 6 6X 7
PHASE MIXED LIQUID LIQUID LIQUID
STREAM ID 8 8B
PHASE LIQUID LIQUID
Process The flowsheet for this problem is shown in Figure C6.1. The feed stream information
Data is given in Table C6.1, and the process information in Table C6.2.
Figure C6.1
C6 DECANT
Decant Column
COLUMN
Pressure (psia) 20
Table C6.2
Process Information
Pressure (psia)
Column Condenser 15.5
Column Top Tray 15.5
Column Pressure Drop 0.5
Methods The K-values for the system are computed using a special ALCOHOL thermody-
andData namic data package. This package uses a unique set of NRTL binary data. Enthalpies
and densities are calculated using library values. Vapor phase properties are taken
to be ideal, and heat of mixing effects are taken into account.
Simulation The separation column is modeled as an ordinary distillation column with 11 theo-
Model retical trays (including the condenser and reboiler). The feed is introduced on stage
5. The presence of two liquid phases in the separation column is handled by the
COLUMN
C6 DECANT
COMPONENT DATA
LIBID 1,DIPE/2,IPA/3,H2O/4,BUTANOL
THERMODYNAMIC DATA
METHOD KVALUE(VLE)=NRTL,ENTH(V)=SRKM,ENTH(L)=IDEA, &
DENS(V)=SRKM,DENS(L)=IDEA,SET=SET01, &
DEFAULT
KVALUE(VLE) BANK=ALCOHOL,SIMSCI
STREAM DATA
PROP STREAM=1,TEMP=150,PRES=20,PHASE=M,RATE(M)=1000, &
COMP(M)=1,20/2,60/3,900/4,20,NORMALIZE
NAME 1,FEED/2,DIPE PROD/3,WATER PHASE/4,BTM PROD
UNIT OPERATIONS
COLUMN UID=COL1,NAME=COLUMN
PARAM TRAY=11,CHEMDIST=25,CUTOFF=0.1
FEED 1,5,SEPA
C6 DECANT
PROD OVHD(L1)=2,25,BTMS=4,L2DRAW=3,1,6
COND TYPE=BUBB,PRESS=15.5 COLUMN
DUTY 1,1,1/2,11,11
PSPEC TOP=15.5,DPCOL=0.5
PRINT PROP=PART,COMP=M,ITER=PART,XYDATA,KVALUE $NOTE 1
ESTI MODEL=CHEM
TEMP 1,149/2,150/11,190
SPEC STREAM=4,RATE(M),COMP=1, RATIO, & $NOTE 2
REFFEED,RATE(M),COMP=1,VALUE=0.0001
SPEC COLUMN=COL1,PHASE=L1,RRAT(M),VALUE=1 $NOTE 3
VARY DUTY=1,2
METHOD SET=SET02,1/SET01,11 $NOTE 4
Output The following data were extracted from the PRO/II output:
1) Column Summary
2) Column Tray Molar Compositions
3) Condenser Two Liquid Phase Rates and Compositions
4) Stream Summary
COLUMN
C6 DECANT
CHEM METHOD 6
COLUMN SUMMARY
C6 DECANT
COLUMN
SPECIFICATIONS
TRAY 1 TRAY 2
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 0.74724 0.69597 0.87145 0.74729
2 IPA 0.08795 0.09167 0.07660 0.08796
3 H2O 0.16452 0.21233 0.05041 0.16453
4 BUTANOL 2.7968E-04 3.5846E-05 0.00154 2.1428E-04
TRAY 3 TRAY 4
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 0.88651 0.76919 0.88076 0.77632
2 IPA 0.06504 0.07992 0.05990 0.07461
3 H2O 0.04303 0.15008 0.04251 0.14647
4 BUTANOL 0.00542 8.1248E-04 0.01683 0.00259
TRAY 5 TRAY 6
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 0.01844 0.77877 0.01411 0.70093
2 IPA 0.06046 0.07167 0.06547 0.10287
3 H2O 0.90076 0.14131 0.89985 0.18523
4 BUTANOL 0.02034 0.00826 0.02057 0.01097
TRAY 7 TRAY 8
COMPONENT X Y X Y
-------------------- -------------------- -------------------- --------------------
1 DIPE 0.00571 0.39694 0.00111 0.09273
COLUMN
C6 DECANT
TRAY 9 TRAY 10
COMPONENT X Y X Y
------------------------ ------------------------ ------------------------ ------------------------
1 DIPE 1.6178E-04 0.01405 2.1639E-05 0.00193
2 IPA 0.08757 0.40407 0.08390 0.40044
3 H2O 0.89066 0.55187 0.89358 0.56485
4 BUTANOL 0.02161 0.03001 0.02250 0.03278
TRAY 11
COMPONENT X Y
------------------------ ----------------------------
1 DIPE 2.0630E-06 2.3621E-04
2 IPA 0.05931 0.35305
3 H2O 0.92009 0.60342
4 BUTANOL 0.02060 0.04329
C6 DECANT
COLUMN
TRAY 1
RATE, LB-MOL/HR COMPOSITION
COMPONENT L1 PHASE L2 PHASE L1 PHASE L2 PHASE
------------------------ ------------------------ ------------------------ ----------------------------
1 DIPE 39.9384 0.0275 0.825081 0.005406
2 IPA 4.5639 0.1403 0.094286 0.027618
3 H2O 3.8883 4.9111 0.080327 0.966950
4 BUTANOL 0.0148 1.318E-04 0.000306 2.59E-05
STREAM ID 1 2 3 4
NAME FEED DIPE PROD WATER PHASE BTM PROD
PHASE LIQUID LIQUID LIQUID LIQUID
C6 DECANT
COLUMN
Process The flow sheet is shown in Figure C7.1. The feed gas is mixed with steam before
Data being fed to the shift reactor. The product gas is cleaned and dried to remove water,
carbon dioxide, and hydrogen sulfide and is then fed to the methanator reactor. Both
the shift and methanator reactors operate adiabatically.
The feed gas analysis is taken from Hydrocarbon Processing, April 1981, p. 115 and
is shown in Table C7.1.
METHANATOR
C7 SHIFT AND
Figure C7.1
Reactor Flow Sheet
Simulation The shift reactor operates with an equilibrium temperature approach of 50 F. The
Model methanator reactor models both the shift and methanation reactions at 95% of the
equilibrium conversion.
The gas clean-up is modeled in a stream calculator unit by specifying the fraction of
each component which passes to the methanator.
Input Data Printout is requested in metric units in addition to the default English units used for
the input data.
The shift and methanator reactor options are specified on the RXCALCULATION
and STOICHIOMETRY statements to retrieve the stored reaction data.
C7 SHIFT AND
METHANATOR
Output The output is shown for both the reactors and for the stream calculator unit. The
stream output shows the details of all the streams in the flow sheet. All the output is
shown in the alternate (metric) units.
OPERATING CONDITIONS
INLET OUTLET
--------------------- ---------------------
FEED 1
2
VAPOR PRODUCT 3
TEMPERATURE, C 266.13 491.91
PRESSURE, KG/CM2 23.9044 23.5528
REACTION DATA
KG-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
------------------------------------ --------------------- --------------------- ---------------------
2 CO SHIFT 15.4285 0.6196
OPERATING CONDITIONS
INLET OUTLET
--------------------- ---------------------
FEED 5
VAPOR PRODUCT 6
TEMPERATURE, C 232.22 308.64
PRESSURE, KG/CM2 23.2013 22.4982
REACTION DATA
KG-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
------------------------------------ --------------------- --------------------- ---------------------
2 CO METHANATION 8.9313 0.9427
2 CO SHIFT 0.0684 0.0072
3 1.000
MIXED 4
VAPOR 5
STREAM ID 5 6
NAME
PHASE WET VAPOR WET VAPOR
Process The flowsheet is shown in Figure C8.1. The feed stream is given in
Data Table C8.1 and the process information in Table C8.2.
OVHD_STREAM
CONDENSER_HX
FEED_STREAM
7
REBOILER_HX
STILL_TOWER
8
BTMS_STREAM
Stream FEED_STREAM
C8 Non-ideal
Chemical
Column STILL_TOWER
Number of Trays 8
Feed Tray 4
Condenser Temperature 303 K
Molar Reflux Ratio 1
Purity 99.9 ± 0.0001 Acetone in
the overhead
Top Tray Pressure Equal to feed stream
pressure
Overhead Product Rate Initial Estimate 6750 Kg/hr
Pressure Drop Across Column Minimal
Heat Exchanger CONDENSER_HX
Inlet Temperature 283 K
Outlet Temperature 293 K
Heat Exchanger REBOILER_HX
Saturated Stream Pressure 1101.3 kPa
Methods and The components present in the system are acetone, acetic acid, and
Data acetic anhydride. The NRTL thermodynamic system with the VLE
active option is chosen as it has interaction pair data which will more
accurately model the non-idealities in the mixture. The Hayden-
O’Connell vapor fugacity option will be used to account for dimers of
the carboxylic (acetic) acid. However, not all binary interaction pairs
are immediately available. Any pairs not accounted for in the SimSci
databanks will be estimated using the UNIFAC group contribution
method.
Separation
Chemical
Model half the molar flowrate into the condenser be withdrawn. Scoping
calculations predict that about 6750 kg/hr of overhead product will
leave the system. This column operates with a minimal pressure
drop across it. The inside-out algorithm is used to perform the tray-
by-tray calculations. The boiling point of acetone is 303K at 101.325
KPA, so it is safe to assume that that will be the condenser tempera-
ture due to the overhead purity specification.
The overhead product of the column is run through an attached heat ex-
changer. The condenser uses a simple heat exchanger model that has
a water utility on its cold side. The water enters at 283 K and exits at
293 K.
The bottoms product of the column is run through an attached heat
exchanger. The reboiler uses a simple heat exchanger model that
has a saturated steam utility on its hot side. The steam is pressur-
ized to 1101.3 KPA.
Additional output for the column separation factors by tray is re-
quested. This will verify that the column has not been oversized for
the mandated purity specification.
Input Data SI units are used throughout the simulation. The keyword input data
file is shown on the following page.
Separation
Chemical
Table C8.3: Table of Selected Results
Output Column separation factors by tray are shown in Figure C8.2. The col-
umn summary output shows the tray flowrates, temperatures, and
pressures. Full details for the reboiler and condenser appear on the
heat exchanger output.
The stream molar component flowrates generated by PRO/II are in-
cluded, as is the Stream Table Summary generated by PROVISION.
COLUMN STILL_TOWER
1E4
ACETONE / AC2O
1E3
1E2
Separation Factor
1E1
1E0
1E-1
1E-2
1 8
Tray Number
Separation
Chemical
RIGOROUS COLUMN ’STILL_TOWER’, ’Main Column’
COLUMN SUMMARY
SPECIFICATIONS
FT MISSING 1.00
LMTD, K MISSING 63.5542
LMTD (ZONE-WEIGHTED), K MISSING MISSING
FT MISSING 1.00
LMTD, K MISSING 27.6965
LMTD (ZONE-WEIGHTED), K MISSING MISSING
Separation
Chemical
STREAM MOLAR COMPONENT RATES JUN94
==============================================================================
Process The flow sheet is shown in Figure A1.1. The gas stream is cooled by the two
Data refrigeration units, COO1 and COO2, as well as by its own vapor. It is then flashed
to remove a high purity methane stream and reduce the temperature of the liquid for
storage. The ethane circuit is cooled by exchange with the propane, and heat is
removed from the propane by an air cooled exchanger.
The refrigeration units operate with a temperature approach between the hot inlet
and cold outlet of 3 F. The hot outlet/cold inlet temperature approach on the
exchanger HXT is 20 F and the hot inlet/cold outlet approach is 130 F. The air cooler
outlet temperature is set at its winter value of 75 F.
The composition and conditions of the natural gas feed stream are shown in Table
A1.1.
Figure A1.1
Refrigeration Flow Sheet
Methods The Peng-Robinson equation of state is used for equilibrium, enthalpy and vapor
and Data density calculations together with Lee-Kesler for liquid densities.
Simulation A schematic of the simulation flow sheet is shown in Figure A1.2. The process
Model contains two closed refrigeration loops, each equipped with a compressor and
let-down valve. Closed loops can be modeled by PRO/II. Each loop must be
initialized at some point, and the conditions and flow rate are then calculated to meet
performance specifications on the units.
In the propane circuit, the flow rate is calculated to meet the required approach
temperature on exchanger COO1. Stream 10 is initialized with the known tempera-
ture and pressure from the air cooler and an estimate for the flow rate. A controller
is used to vary the flow rate in order to meet the approach specification. Similarly,
stream 18 is initialized in the ethane loop and varied to meet the COO2 approach
temperature.
The hot outlet/cold inlet temperature approach on exchanger HXT is specified in the
exchanger calculation. There is also a hot inlet/cold outlet approach specification
between streams 15 and 17, and a controller is used to vary the split ratio in unit
SPL1 to meet it.
The natural gas stream is also cooled by the vapor portion of the feed. The
computation time can be considerably reduced by a simple reordering of the
calculation. The compositions of streams 3 and 5 are referenced to the feed stream,
1, in the Stream Data section, and the pressures and temperatures are estimated.
F1 and HX2 can now be solved first, followed by the ethane and then the propane
circuit.
Input Data This simulation uses the default set of English units.
The reference stream facility in the Stream Data Section sets the composition and
rate of streams 3 and 5 equal to those of stream 1. The flow rates of streams 10 and
18 (the propane and ethane loop initializations) entered on the PROP statements are
only estimates which will be changed during the calculation.
In the ethane circuit, the circulation rate is controlled with CNT1 to meet the
temperature approach specification between streams 5 and 19. Stream 19 is
vaporized in heat exchanger COO2 and stream 20 is set to its dew point. When both
a liquid fraction and a flow rate are to be specified for an exchanger, it is good practice
to specify the flow rate, rather than the liquid fraction, with the controller.
In the propane circuit, controller CNT2 calculates the propane rate to meet the
approach temperature between streams 3 and 13, and CNT3 determines the split
ratio to meet the approach specification between streams 15 and 17.
TITLE PROBLEM=A1,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5/7,NC5/8,NC6
THERMODYNAMIC DATA
METHODS SYSTEM=PR,DENS(L)=API
STREAM DATA
PROP STREAM=1,TEMP=100,PRES=700,RATE=100,&
COMP=1,0.9083/2,0.0504/3,0.019/4,0.0052/&
5,0.0057/6,0.0018/7,0.002/8,0.0079
PROP STREAM=3,TEMP=-37,PRES=680,REFSTREAM=1
PROP STREAM=5,TEMP=-105,PRES=670,REFSTREAM=1
PROP STREAM=10,TEMP=75,PRES=245,COMP=3,50
PROP STREAM=18,TEMP=-20,PRES=620,COMP=2,50
UNIT OPERATIONS
FLASH UID=F1,NAME=PREFLASH
FEED 5
PROD V=21,L=6
ADIA DP=0
HX UID=HX2,NAME=GAS-GAS-HX2
HOT FEED=3,V=4,DP=10
COLD FEED=21,V=22,DP=5
OPER MINI=10
FLASH UID=C2V,NAME=C2 THROTTLE
FEED 18
PROD V=19
ADIA TEMP=-108
HX UID=COO2,NAME=COOLER-2
HOT FEED=4,V=5
COLD FEED=19,V=20
OPER COLD,LFRACT=0
CONTROL UID=CNT1,NAME=C2 RATE
SPEC STREAM=5,TEMP,DIFF,STREAM=19,VALUE=3
VARY STREAM=18,RATE
COMPRESS UID=C2CO,NAME=C2-RECY-COMP
FEED 20
PROD V=17
OPER EFF=71,PRES=625
HX UID=HX1,NAME=GAS-GAS-HX1
HOT FEED=1,L=2,DP=10
COLD FEED=22,V=23,DP=5
OPER MINI=10
FLASH UID=C3V,NAME=C3 THROTTLE
FEED 10
PROD V=11A,L=11
ADIA TEMP=-40
REFRIGERATION
A1 CASCADE
FEED 11,
PROD M=12,M=13,
SPEC STREAM=13,RATE,RATIO,STREAM=11,VALUE=0.45
HX UID=COO1,NAME=COOLER-1
HOT FEED=2,V=3,DP=10
COLD FEED=13,V=14
OPER COLD,LFRACT=0
HX UID=HXT,NAME=LOOPS EXCH
HOT FEED=17,V=18,DP=5
COLD FEED=11A,12,V=15,DP=5
OPER HOCI=20
CONTROL UID=CNT2,NAME=C3 RATE
SPEC STREAM=3,TEMP,DIFF,STREAM=13,VALUE=3
VARY STREAM=10,RATE
CONTROL UID=CNT3,NAME=C3 SPLIT
SPEC STREAM=15,TEMP,DIFF,STREAM=17,VALUE=-130
VARY SPLIT=SPL1,SPEC(1)
MIXER UID=MIX1,NAME=C3-RECY-MIX
FEED 14,15
PROD M=16
COMPRESS UID=C3CO,NAME=C3-RECY-COMP
FEED 16
PROD V=9
OPER EFF=71,PRES=250
FLASH UID=HXT1,NAME=AIR COOLER
FEED 9
PROD L=10
ISO DP=0,TEMP=75
FLASH UID=F2,NAME=NGL SEPARATOR
FEED 6
PROD V=7,L=8
ADIA PRES=250
END
Results The flow sheet solves in two recycle trials. The reordering of the calculation described
above reduces the computation time to less than 20% of that required if the simulation
starts at unit HX1.
Conclusions A base case model has been set up to model the existing performance, and the
refrigerant rates have been established. These rates can now be fixed for studies of
other operating conditions. Alternatively, the existing model can be used to determine
how much refrigerant would be required for other cooling duties.
Output Selected PRO/II output is shown below. This includes the flash summaries, which
show the throttle valves, the compressors, the gas refrigeration exchangers, and the
stream output.
FEEDS 5 18 10 9
PRODUCTS MIXED 19
VAPOR 21 11A
LIQUID 6 11 10
FLASH ID F2
NAME NGL SEPARATR
FEEDS 6
PRODUCTS VAPOR 7
LIQUID 8
TEMPERATURE, F -158.483
PRESSURE, PSIA 250.000
PRESSURE DROP, PSI 420.000
MOLE FRAC VAPOR 0.38978
MOLE FRAC LIQUID 0.61022
DUTY, MM BTU/HR 0.00000
FLASH TYPE ADIABATIC-P
FEEDS 20
PRODUCTS VAPOR 17
OPERATING CONDITIONS
FEEDS 16
PRODUCTS VAPOR 9
OPERATING CONDITIONS
OPERATING CONDITIONS
OPERATING CONDITIONS
OPERATING CONDITIONS
STREAM ID 1 2 3 4
NAME
PHASE VAPOR MIXED MIXED MIXED
STREAM ID 5 6 7 8
NAME
PHASE MIXED LIQUID VAPOR LIQUID
STREAM ID 12 13 14 15
NAME
PHASE LIQUID LIQUID VAPOR VAPOR
STREAM ID 16 17 18 19
NAME
PHASE VAPOR VAPOR LIQUID MIXED
STREAM ID 20 21 22 23
NAME
PHASE VAPOR VAPOR VAPOR VAPOR
A2 PHENOL
of the new conditions and to determine the material and heat balances.
DISTILLATION
Process The separation is carried out in five distillation columns as shown in the flow sheet
Data in Figure A2.1. Most of the acetone is removed in the vapor product from the first
column, T1, and the water is removed in column T3. The other unwanted compo-
nents are removed in columns T2 and T4.
The phenol product is the taken overhead from T5. In order to obtain the required
product purity, a considerable amount of phenol remains in the bottom product of
T5, and this is recycled back to T2.
Small amounts of phenol are lost in the products from T2 and T4. The water product
from T3 contains only trace amounts of phenol.
The feed composition and thermal condition are shown in Table A2.1.
Figure A2.1
Phenol Distillation Flow Sheet
Columns T2, T3 and T5 operate at pressure of 100 torr. T1 operates at 760 torr
and T4 at 280 torr. The acetone and phenol products are taken as vapor. The other
column overheads are at bubble point.
The proposed operating conditions for the separation are in Table A2.2.
Table A2.2
COLUMN SPECIFICATIONS
A2 PHENOL
conditions.
DISTILLATION
All the components in the simulation are in the PRO/II Component Library except
for dimer alpha methylstyrene. Data for this missing component are provided as
part of the input. The data required by the selected thermodynamic system are the
liquid enthalpy, latent heat, vapor pressure, liquid density, molecular weight, boiling
point, and specific gravity. Enthalpy and density data are entered as tabular data,
and vapor pressure as Antoine coefficients.
Simulation The performance specifications in Table A2.2 are imposed directly on the relevant
Model column. The reboiler and condenser duties are calculated to satisfy the specifica-
tions.
The phenol loss in columns T2 and T4 is specified as the ratio of the flow rate of
phenol in the product to the rate in the feed to the flow sheet. All the reflux
specifications are with respect to the feed to the column rather than to the distillate
rate.
Input Data The simulation uses metric units with pressure as torr. Weight flow rate and
composition outputs are requested, as all specified rates are in kg/hr.
The estimate for the recycle stream is supplied to reduce the calculation time.
The PROPTABLES=BRIEF option is used in all the columns to limit the output to
column summary only.
Input Data File:
TITLE PROBLEM=A2,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=SEPT 90
DIMEN METRIC,PRES=TORR
PRINT RATE=M,W,FRAC=M,W
COMPONENT DATA
LIBID 1,ACETONE/2,PHENOL/3,MO/4,CUMENE/&
5,AMST/6,ACPH/7,2P2P/9,PCPHENOL/10,H2O
NONLIB 8,D-A-METHSTYR
MW 8,236.36
SPGR 8,0.912
NBP(C) 8,308
TC(C) 8,489.515
PC(TORR) 8,12707.350
VC 8,908.661
VP(TORR) TEMP=K,CORRELATION=21,LN,DATA=8,&
,,14.47,-3546,-172.2
ENTH(L,KCAL,KG,WT) TEMP=C,TABULAR=25,100/8,242,262
LATE(KCAL,KG,WT) TEMP=C,TABULAR=25,100/8,90,73
2,10,0,142.258,0,1200.36,0.4942/&
1,2,0,-379.902,0,-141.09,0.3086
A2 PHENOL
STREAM DATA
PROP STREAM=1,PRES=760,PHASE=L,COMP(W)=3547/4772/13.8/&
272/169.5/89.2/36.9/288.1/330.5/1005
PROP STREAM=4,TEMP=120,PRES=100,COMP(W)=2,4700/6,700/50
NAME 1,FEED/4,RECYCLE/3,T1 OVHD/2,T1 BTMS/6,T2 OVHD/&
7,T2 BTMS/5,T2 FEED/8,T3 OVHD/10,T3 BTMS/11,T4 BTMS/&
12,T4 OVHD/15,PHENOL PROD/13,T5 LIQ FD/14,T5 VAP FD
UNIT OPERATIONS
COLUMN UID=T1,NAME=COLUMN 1
PARAM TRAY=10,CHEMDIST=20
FEED 1,5
COND TYPE=PART
PROD OVHD=3,100,BTMS=2
HEAT 1,1/2,10
VARY HEAT=1,2
PRINT PROPTABLES=BRIEF
PSPEC TOP=760
ESTI MODEL=CONVENTIONAL,REFLUX=140
SPEC STREAM=3,RATE(W),VALUE=4500
SPEC TRAY=1,PHASE=L,RATE,RATIO,STREAM=1,VALUE=0.78
FLASH UID=F1,NAME=FEED MIX
FEED 2,4
PROD L=5
ISO TEMP=114,PRES=100
COLUMN UID=T2,NAME=COLUMN 2
PARAM TRAY=17,CHEMDIST=20
FEED 5,11
COND TYPE=BUBB
PROD OVHD=6,100,BTMS=7
HEAT 1,1/2,17
VARY HEAT=1,2
PRINT PROPTABLES=BRIEF
PSPEC TOP=100
ESTI MODEL=CONVENTIONAL,REFLUX=100
SPEC TRAY=1,PHASE=L,RATE,RATIO,STREAM=5,VALUE=0.83
SPEC STREAM=7,COMP=2,RATE,RATIO,STREAM=1,VALUE=0.006
A2 PHENOL
PSPEC TOP=100,DP=5
DISTILLATION
ESTI MODEL=CONVENTIONAL,REFLUX=80
SPEC TRAY=1,PHASE=L,RATE,RATIO,STREAM=6,VALUE=0.73
SPEC STREAM=8,RATE(W),VALUE=160
COLUMN UID=T4,NAME=COLUMN 4
PARAM TRAY=17,CHEMDIST
FEED 10,12
COND TYPE=BUBB
PROD OVHD=12,5,BTMS=11
HEAT 1,1/2,17
VARY HEAT=1,2
PSPEC TOP=280
PRINT PROPTABLES=BRIEF
ESTI MODEL=CONVENTIONAL,REFLUX=5000
SPEC TRAY=1,PHASE=L,RATE,RATIO,STREAM=10,RATE,VALUE=50
SPEC STREAM=12,COMP=2,RATE,RATIO,STREAM=1,VALUE=0.01
VALVE UID=V1,NAME=VALVE
FEED 11
PROD V=14,L=13
OPER PRES=100
COLUMN UID=T5,NAME=COLUMN 5
PARAM TRAY=20,CHEMDIST=20
FEED 13,11/14,10
COND TYPE=PART
PROD OVHD=15,50,BTMS=4
HEAT 1,1/2,20
VARY HEAT=1,2
PSPEC TOP=100
PRINT PROPTABLES=BRIEF
ESTI MODEL=CONVENTIONAL,REFLUX=320
SPEC TRAY=1,PHASE=L,RATE,RATIO,REFFEEDS,VALUE=3
SPEC STREAM=15,FRAC(W),COMP=2,VALUE=0.9995
END
Results The simulation meets all the specifications, and so the proposed operating condi-
tions are feasible as long as the column duties can be met.
Output The output for columns T1 and T5 and the stream weight rates and compositions
are shown. These give the required heat and material balances on the flow sheet.
CHEM METHOD 9
DISTILLATION
COLUMN SUMMARY
A2 PHENOL
SPECIFICATIONS
CHEM METHOD 9
A2 PHENOL
COLUMN SUMMARY
DISTILLATION
-------------------- NET FLOW RATES --------------------- HEATER
TRAY TEMP PRESSURE LIQUID VAPOR FEED PRODUCT DUTIES
DEG C TORR KG-MOL/HR M*KCAL/HR
------------ ------------- ---------------- ---------------- ---------------- ----------------- ----------------- --------------------
1 120.6 100.00 380.3 50.2V -4.6197
2 120.6 100.00 380.3 430.5
3 120.6 100.00 380.3 430.5
4 120.6 100.00 380.3 430.5
5 120.6 100.00 380.3 430.5
6 120.6 100.00 380.4 430.5
7 120.6 100.00 380.4 430.5
8 120.7 100.00 380.4 430.5
9 120.7 100.00 380.4 430.6
10 120.7 100.00 380.4 430.6 16.3V
11 120.8 100.00 490.9 414.3 110.5L
12 120.8 100.00 490.9 414.3
13 120.8 100.00 490.9 414.3
14 120.8 100.00 490.9 414.3
15 120.8 100.00 491.0 414.3
16 120.9 100.00 491.0 414.3
17 120.9 100.00 491.0 414.4
18 120.9 100.00 491.1 414.4
19 121.1 100.00 491.1 414.4
20 121.3 100.00 414.5 76.6L 5.0314
SPECIFICATIONS
STREAM ID 1 2 3 4
NAME FEED T1 BTMS T1 OVHD RECYCLE
PHASE LIQUID LIQUID VAPOR LIQUID
DISTILLATION
STREAM ID 5 6 7 8
NAME T2 FEED T2 OVHD T2 BTMS T3 OVHD
PHASE MIXED LIQUID LIQUID LIQUID
STREAM ID 10 11 12 13
NAME T3 BTMS T4 BTMS T4 OVHD T5 LIQ FD
A2 PHENOL
PHASE LIQUID LIQUID LIQUID LIQUID
DISTILLATION
FLUID RATES, KG/HR
1 ACETONE 0.0325 9.9303E-09 0.0325 4.1168E-09
2 PHENOL 11445.0889 11397.3594 47.7200 9910.5996
3 MO 0.4219 1.5285E-06 0.4219 8.1794E-07
4 CUMENE 202.1642 0.0680 202.1073 0.0466
5 AMST 162.5764 0.0100 162.5753 0.0064
6 ACPH 647.6330 647.6487 6.9949E-04 592.2852
7 2P2P 38.6547 38.6548 1.6167E-05 35.9994
8 D-A-METHSTYR 3.1785E-26 3.1448E-26 0.0000 2.7410E-26
9 PCPHENOL 2.8665E-25 2.8361E-25 1.8332E-27 2.4719E-25
10 H2O 8.6899E-04 1.4144E-14 8.6904E-04 1.2328E-14
STREAM ID 14 15
NAME T5 VAP FD PHENOL PROD
PHASE VAPOR VAPOR
STREAM ID 1 2 3 4
NAME FEED T1 BTMS T1 OVHD RECYCLE
PHASE LIQUID LIQUID VAPOR LIQUID
DISTILLATION
STREAM ID 5 6 7 8
NAME T2 FEED T2 OVHD T2 BTMS T3 OVHD
PHASE MIXED LIQUID LIQUID LIQUID
A2 PHENOL
FLUID WEIGHT FRACTIONS
1 ACETONE 2.6012E-06 8.2179E-13 7.8740E-05 3.9063E-13
DISTILLATION
2 PHENOL 0.9159 0.9432 0.1156 0.9404
3 MO 3.3758E-05 1.2649E-10 0.0010 7.7611E-11
4 CUMENE 0.0162 5.6277E-06 0.4895 4.4212E-06
5 AMST 0.0130 8.2680E-07 0.3938 6.1079E-07
6 ACPH 0.0518 0.0536 1.6943E-06 0.0562
7 2P2P 0.0031 0.0032 3.9160E-08 0.0034
8 D-A-METHSTYR 2.5435E-30 2.6025E-30 0.0000 2.6008E-30
9 PCPHENOL 2.2938E-29 2.3470E-29 4.4404E-30 2.3455E-29
10 H2O 6.9538E-08 1.1705E-18 2.1049E-06 1.1698E-18
STREAM ID 14 15
NAME T5 VAP FD PHENOL PROD
PHASE VAPOR VAPOR
A3 HDS
Process
REACTOR
The process flow sheet is shown in Figure A3.1. The reactor operates adiabatically
Data and the product stream is used to preheat the feed. A small quantity of the recycle
gas is purged to prevent the buildup of inert components in the system.
For the reactor to operate properly, its feed stream must contain 63 mole % hydrogen.
This is achieved by controlling the flow rate of the recycle hydrogen stream, 5.
The compositions of the hydrocarbon and makeup hydrogen feeds to the process
are shown in Table A3.1.
Figure A3.1
HDS Reactor Flow Sheet
Makeup Feed
Component Hydrogen Hydrocarbon API Molecular
(lb moles/hr) (lb moles/hr) Weight
Hydrogen 300.000 - - -
Methane 32.813 - - -
Ethane 19.916 - - -
H2S 14.071 - - -
Propane 3.148 - - -
I-Butane 3.793 - - -
N-Butane 1.525 - - -
REACTOR
I-Pentane 0.872 - - -
A3 HDS
N-Pentane 3.111 - - -
Table A3.2
REACTOR DATA
A3 HDS
Propane 0.00 NBP 364 -0.04
REACTOR
I-Butane 0.00 NBP 376 -0.22
N-Butane 0.00 NBP 392 -0.29
I-Pentane 0.00 NBP 410 -0.45
N-Pentane 0.00 NBP 431 -0.41
NBP 220 0.11 NBP 470 -1.00
NBP 260 0.66 NBP 515 -0.28
NBP 290 1.88 NBP 550 -0.08
Table A3.3
PROCESS CONDITIONS
Simulation The feed to the reactor must be 63 mole % hydrogen. This is fixed by a controller
Model which varies the total flow rate of the recycle stream, 5.
A stream calculator (STCALC) unit is used to determine the purge gas rate for splitter
REACTOR
unit S2. The STCALC unit subtracts product stream 11 from feed stream 2. To
account for the hydrogen consumed in the reactor, the difference between streams
A3 HDS
8 and 9 is added. Finally, all components except hydrogen are removed from the
product stream, H2, using a factor of zero on the FOVHD statement. The flow rate
of stream H2, created by the stream calculator, is the rate of excess hydrogen which
must be purged. The purge stream is set by splitter S2, using stream H2 as the
reference stream for its specification.
The recycle stream 5 is given an initial estimate in order to speed the convergence.
It is defined as pure hydrogen. The value of the estimate for the flow rate is not
important, as it is reset by the controller. Wegstein acceleration is applied to the
recycle.
Input Data English units are used for the simulation. Stream output is requested in both molar
and weight units with percentages as well as flow rates.
Stream 7, the feed to heater F1, is referenced to stream 6, and the heater and reactor
are calculated before the feed preheat exchanger, EX.
The reactor data are available as the actual number of moles/hr of each component
consumed or created in the reactor. These are entered directly as the stoichiometric
coefficients. No base component for the conversion is defined, which indicates to
PRO/II that these coefficients are the absolute number of moles reacted.
The air cooler is combined with the high pressure flash in unit F2.
The STCALC unit calculates the purge rate. Each component in the streams on the
FEED statement is multiplied by the associated factor. This is 1 for streams to be
added and -1 for those to be subtracted. The FOVHD statement defines the fraction
of each component going to the OVHD product. The splitter, S2, specifies the
hydrogen rate in the purge stream as the same as in stream H2.
A3 HDS
22,NBP 470,195,37.6,470/23,NBP 515,216,35.3,515/&
24,NBP 550,235,32.7,550
REACTOR
THERMODYNAMIC DATA
METHOD SYSTEM=GS
STREAM DATA
PROP STREAM=1,TEMP=380,PRES=715,RATE=1470,&
COMP=10,0.57/11,3.9/12,11.46/13,8.149/14,15.37/&
15,9.679/16,33.95/17,18.96/18,110.5/19,142.7/&
20,223.4/21,206.6/22,503.5/23,141/24,40.2
PROP STREAM=5,TEMP=170,PRES=715,COMP=10000
PROP STREAM=7,REFS=6,TEMP=565,PRES=710
PROP STREAM=2,TEMP=115,PRES=715,COMP=300/32.813/&
19.916/14.071/3.148/3.793/1.525/0.872/3.111
NAME 1,FEED HC/14,RECYCLE GAS/2,TOTAL MAKEUP/6,COMB FEED/&
5,RECYCLE GAS/8,RX INLET/9,RX PRODUCT/&
12,SEPARAT GAS/13,EXCESS-VENT/11,SEP NET LIQ
UNIT OPERATIONS
MIXER UID=M1
FEED 1,2,5
PROD M=6
CONTROLL UID=CON1
SPEC STREAM=6,FRAC,COMP=1,VALUE=0.63,RTOL=0.001
VARY STREAM=5,RATE
FLASH UID=F1,NAME=FEED HEATER
FEED 7
PROD V=8
ISO TEMP=635,PRES=725
REACTOR UID=RX13,NAME=HDS REACTOR
FEED 8
PROD V=9
OPER ADIABATIC,PRES=625
RXCALC CONVERSION
STOI 1,-61/14,-0.03/15,-0.02/4,4.66/16,-0.07/17,-0.04/&
18,-0.22/19,-0.29/20,-0.45/21,-0.41/10,0.11/&
PRO/II APPLICATION BRIEFS HDS REACTOR SECTION A3-5
February 1991
22,-1/11,0.66/23,-0.28/12,1.88/24,-0.08/13,1.39
HX UID=EX,NAME=FEED PREHEAT
HOT FEED=9,L=10,DP=5
COLD FEED=6,L=7,DP=5
OPER COLD,TEMP=565
FLASH UID=F2,NAME=HP FLASH
FEED 10
PROD V=12,L=11
ISO TEMP=100,PRES=525
STCALC UID=CAL1
FEED 2,1/11,-1/9,1/8,-1
OVHD STREAM=H2,PRES=100,TEMP=100
BTMS STREAM=DUM1,PRES=100,TEMP=100
FOVHD 1,,1/2,24,0
OPER STOP=ZERO
SPLITTER UID=S2,NAME=VENT GAS
REACTOR
FEED 12
PROD M=13,M=14
A3 HDS
SPEC STREAM=13,RATE,COMP=1,RATIO,STREAM=H2,VALUE=1
COMPRESS UID=COMP,NAME=RECY COMP
FEED 14
PROD V=5
OPER POLY=75,PRES=715
RECYCLE DATA
ACCEL TYPE=WEGS,START=2
END
Results The hydrogen recycle flow rate is 3072.6 lb mole/hr compared with a hydrogen
make-up flow of 379.2 lb mole/hr. The initial recycle estimate of 10000 lb mole/hr is
reduced to the correct value by the controller in the first recycle trial.
The cooling duty is calculated by the high pressure flash as -63.1 MM Btu/hr. The
compressor raises the pressure from 525 psia to 715 psia, and the work required is
601 HP.
Output Selected portions of the PRO/II output show flash and splitter, recycle compressor,
HDS reactor, feed preheater, and stream component output.
FEEDS 7 10
PRODUCTS MIXED 8
VAPOR 12
LIQUID 11
A3 HDS
MOLE FRAC LIQUID 0.11710 0.32226
REACTOR
DUTY, MM BTU/HR 21.81166 -63.13821
FLASH TYPE ISOTHERMAL ISOTHERMAL
SPLITTER OUTPUT
TEMPERATURE, F 100.0000
PRESSURE, PSIA 525.0000
PRESSURE DROP, PSIA 0.0000
FEEDS 14
PRODUCTS VAPOR 5
OPERATING CONDITIONS
OPERATING CONDITIONS
INLET OUTLET
--------------------- ---------------------
FEED 8
MIXED PRODUCT 9
A3 HDS
TEMPERATURE, F 635.00 630.83
PRESSURE, PSIA 725.0000 625.0000
REACTOR
REACTION DATA
OPERATING CONDITIONS
A3 HDS
FEED 9
MIXED PRODUCT 10
REACTOR
VAPOR, LB-MOL/HR 4389.065 3405.485
M LB/HR 197.618 33.883
CP, BTU/LB-F 0.733 1.077
LIQUID, LB-MOL/HR 476.771 1460.351
M LB/HR 82.070 245.806
CP, BTU/LB-F 0.741 0.665
TOTAL, LB-MOL/HR 4865.836 4865.836
M LB/HR 279.688 279.688
CONDENSATION, LB-MOL/HR 983.580
TEMPERATURE, F 630.829 447.204
PRESSURE, PSIA 625.000 620.000
STREAM ID DUM1 H2 1 2
NAME FEED HC TOTAL MAKEUP
PHASE VAPOR VAPOR LIQUID VAPOR
A3 HDS
9 NC5 0.2469 3.3579 3.3579 3.3579
REACTOR
10 NBP 220 0.0047 0.5747 0.5747 0.5747
11 NBP 260 0.0141 3.9142 3.9142 3.9142
12 NBP 290 0.0224 11.4829 11.4829 11.4829
13 NBP 310 0.0106 8.1600 8.1600 8.1600
14 NBP 328 0.0117 15.3824 15.3824 15.3824
15 NBP 340 0.0057 9.6852 9.6852 9.6852
16 NBP 352 0.0157 33.9671 33.9671 33.9671
17 NBP 364 0.0068 18.9676 18.9676 18.9676
18 NBP 376 0.0306 110.5353 110.5353 110.5353
19 NBP 392 0.0281 142.7342 142.7342 142.7342
20 NBP 410 0.0300 223.4394 223.4394 223.4394
21 NBP 431 0.0177 206.6264 206.6264 206.6264
22 NBP 470 0.0186 503.5398 503.5398 503.5398
23 NBP 515 0.0020 141.0079 141.0079 141.0079
24 NBP 550 2.5965E-04 40.2020 40.2020 40.2020
STREAM ID 13 14
NAME EXCESS-VENT RECYCLE GAS
PHASE VAPOR VAPOR
A3 HDS
8 IC5 0.0066 0.0904
REACTOR
9 NC5 0.0181 0.2469
10 NBP 220 3.4184E-04 0.0047
11 NBP 260 0.0010 0.0141
12 NBP 290 0.0016 0.0224
13 NBP 310 7.7759E-04 0.0106
14 NBP 328 8.5812E-04 0.0117
15 NBP 340 4.2100E-04 0.0057
16 NBP 352 0.0011 0.0157
17 NBP 364 4.9668E-04 0.0068
18 NBP 376 0.0022 0.0306
19 NBP 392 0.0021 0.0281
20 NBP 410 0.0022 0.0300
21 NBP 431 0.0013 0.0177
22 NBP 470 0.0014 0.0186
23 NBP 515 1.4297E-04 0.0020
24 NBP 550 1.9028E-05 2.5965E-04
Process The flowsheet for this problem is shown in Figure A4.1. The feed stream composition
Data is given in Table A4.1, and the known process conditions in Table A4.2. The
specifications on the C2 and C3 content of the NGL and sales gas, respectively, are
given in Table A4.3. Table A4.4 gives the costing information used in calculating the
plant profit.
A4 TURBO-
EXPANDER
Figure A4.1
Turbo-Expander Gas Plant
N2 0.62
CH4 89.23
C2H6 6.96
C3H8 2.23
iC4H10 0.29
nC4H10 0.47
iC5H12 0.09
nC5H12 0.07
C6H14 0.03
C7H16 0.01
EXPANDER
A4 TURBO-
Table A4.2
Process Information
Table A4.3
Gas Specifications
lb moles/hr
C2 in NGL 0.1137
C3 in Sales Gas 1.620
Methods Soave-Redlich-Kwong K-values and liquid and vapor phase enthalpies are used.
and Data The Lee-Kesler method is used to calculate liquid densities.
A4 TURBO-
Simulation The flowsheet is modeled as shown in Figure A4.1. The heat exchangers HX01,
Model HX04 and HX05 are configured with area and overall heat transfer coefficient values
EXPANDER
obtained from a base case simulation model. This allows the model to accurately
predict the heat transfer performance of these heat exchangers as the optimizer
calculations are performed.
The heat exchanger HX03 serves as the deethanizer condenser on one side and
heats the cold flash product gas on the other. This exchanger is specified with the
ATTACH COLUMN statement in place of the usual hot or cold side specifications.
The hot side feed and product information are therefore retrieved from the internal
column which connects automatically to the heat exchanger. The pressure drop in
the exchanger is also automatically set to the column condenser pressure drop.
The OPTIMIZER unit maximizes a CALCULATOR result based on the overall plant
profit using a set of product values for the sales gas and NGL product streams, utility
costs for the column reboiler, compressors, coolers as well as the cost of the feed
gas. The optimization variables used are the feed split between the two inlet heat
exchangers and the expander discharge pressure. DEFINE statements set the cold
separator and deethanizer column pressures equal to the expander outlet pressure
minus 5 psia via a second CALCULATOR unit.
Solution During an optimization, the process flowsheet is solved repeatedly at different values
Strategy of the optimization variables. Each optimization cycle involves a base case flowsheet
solution and one perturbation solution for every optimization variable. Therefore, for
our application involving 2 optimization variables, each optimization cycle involves
3 solutions. The perturbation solutions evolve from the base case and are used to
calculate finite difference approximations to the derivatives of the optimizer specifi-
cations, constraints and objective function. This has 2 important consequences:
FL01,EXP1,CAL2,FL02,SP01,HX01,COL1,HX03,MX02,HX02,MX01
Note that initial estimates for streams HF03 and RG03 are no longer required. The
advantages of using a REFSTREAM and a CONTROLLER to converge this
flowsheet are reduced execution time and automatic satisfaction of the mass
balance.
Merging Units
To save calculation time and simplify the flowsheet, we merge the expander EXP1
with the adiabatic flash that follows it.
Adding the Optimization
The CONTROLLER we propose to use requires a majority of the flowsheet units to
be solved. This implies that it will be more efficient to include the controller
specification and variable as part of the optimizer instead of fully converging the
controller at every optimization step. The OPTIMIZER therefore now looks as
follows:
Maximize PROFIT
such that TEMPERATURE OF STREAM FD05 =
TEMPERATURE OF STREAM FD05X
(or Temperature of FD05 - Temperature of FD05X =0)
by varying FEED SPLIT,
EXPANDER DISCHARGE PRESSURE,
and TEMPERATURE OF STREAM FD05.
If, on the other hand, the discharge pressure is placed before the split fraction, then
the optimizer must return to the expander during both perturbations. The units
between the expander and splitter must be reset to their base case values to
generate the derivatives with respect to the split fraction, resulting in additional
execution time.
Modifying the Execution Sequence
A4 TURBO-
Notice that the calculation of the profit requires data from the pump, PU01, but
EXPANDER
requires no data from heat exchanger HX06, the NGL cooler. Therefore, this heat
exchanger can be moved outside of the optimization loop. Similarly, data from the
compressor CMP2 is required, but the only data required from HX05, the after
cooler, is the stream composition, which can be determined prior to the calculation
of HX05. Therefore we can move the calculation of HX05 outside the optimization
loop, saving more time.
Input Data English units are used for the simulation. The default liquid volume units are changed
from ft3 to barrels.
The keyword EQUILIBRIUM should be changed to BUBBLE for PRO/II version 3.51
and earlier. (Note 1)
COMPONENT DATA
LIBID 1,NITROGEN/2,METHANE/3,ETHANE/4,PROPANE/5,IBUTANE/6,BUTANE/ &
7,IPENTANE/8,PENTANE/9,HEXANE/10,HEPTANE
THERMODYNAMIC DATA
METHOD KVAL(VLE)=SRK, ENTHALPY(L)=SRK, ENTHALPY(V)=SRK, &
DENSITY(L)=LK, DENSITY(V)=SRK, ENTROPY(L)=SRK, &
ENTROPY(V)=SRK, SET=SET01, DEFAULT
STREAM DATA
PROPERTY STREAM=FD00, TEMPERATURE=120, PRESSURE=510, PHASE=M, &
RATE(GV)=625000, COMPOSITION(M)=1,0.62/2,89.23/3,6.96/4,2.23/ &
5,0.29/6,0.47/7,0.09/8,0.07/9,0.03/10,0.01
PROPERTY STREAM=FD05, TEMPERATURE=-40, REFSTREAM=FD00
OUTPUT FORMAT=GAS, STREAM=FD00,RG08,NGL3
UNIT OPERATIONS
EXPANDER
FEED FD05
PRODUCT V=HF01, L=HF02
ADIABATIC PRESSURE=505
HX UID=HX01, NAME=FEED-SEP HX
HOT FEED=FD02, M=FD04
COLD FEED=HF02, M=HF04
CONFIGURE COUNTER, U=50, AREA=53.326, TPASS=1, SPASS=1
A4 TURBO-
HX UID=HX02, NAME=FD-PROD HX
EXPANDER
HOT FEED=FD01, M=FD03
COLD FEED=RG03, M=RG04
CONFIGURE COUNTER, TPASS=1, SPASS=1
OPER CTEMP=110, TOL=1E-5
R(1) = V(1)*P(1)*379.491*24.0*C(1)/1.0E6
A4 TURBO-
END
A4 TURBO-
EXPANDER
Output The following data were extracted from the PRO/II output:
1) Flowsheet Mass Balance
EXPANDER
A4 TURBO-
9 HEXANE .988 .000 .988 .000 .00
10 HEPTANE .329 .000 .329 .000 .00
EXPANDER
TOTAL 3293.951 .000 3293.951 .000 .00
OPTIMIZER HISTORY
A4 TURBO-
- - - - - - - - - - - - - - - - - - - - - - - - - -
A4 TURBO-
EXPANDER
OPERATING CONDITIONS
OPERATING CONDITIONS
A4 TURBO-
M LB/HR 1.860
CP, BTU/LB-F .619
EXPANDER
TOTAL, LB-MOL/HR 1399.929 1399.929
M LB/HR 25.420 25.420
CONDENSATION, LB-MOL/HR 54.219
TEMPERATURE, F 120.000 -54.205
PRESSURE, PSIA 510.000 510.000
OPERATING CONDITIONS
M LB/HR 1.398
CP, BTU/LB-F .689
TOTAL, LB-MOL/HR 100.633 100.633
M LB/HR 2.724 2.724
CONDENSATION, LB-MOL/HR 44.038
TEMPERATURE, F 4.319 -31.117
PRESSURE, PSIA 221.172 221.172
FEEDS HF01
OPERATING CONDITIONS
A4 TURBO-
ACT VAP RATE, M FT3/MIN .1928
ADIABATIC EFF, PERCENT 95.00
EXPANDER
WORK, HP
THEORETICAL 320.48
ACTUAL 304.45
FEEDS RG04
OPERATING CONDITIONS
COLUMN SUMMARY
A4 TURBO-
6 40.6 222.60 106.6 94.8 59.2M
7 71.9 222.96 113.3 104.0
EXPANDER
8 84.4 223.31 115.7 110.7
9 90.5 223.67 116.8 113.1
10 94.0 224.03 116.9 114.1
11 96.9 224.39 115.6 114.3
12 102.2 224.74 135.3 113.0 38.0M
13 118.2 225.10 142.7 94.7
14 124.2 225.46 143.4 102.1
15 130.5 225.81 140.2 102.7
16R 143.5 226.17 99.6 40.7L .6310
SPECIFICATIONS
REFLUX RATIOS
A4 TURBO-
STD VAP RATE(1), M FT3/HR 625.0000 609.5709 N/A
RATE C2+, GAL/M STD FT3 2.7861 2.1078 N/A
EXPANDER
RATE C3+, GAL/M STD FT3 .9298 .2064 N/A
ENTHALPY, MM BTU/HR 3.8370 3.4234 N/A
ENTHALPY, BTU/LB 128.3015 122.9604 N/A
CP, BTU/LB-F .5768 .5812 N/A
CV, BTU/LB-F .4228 .4234 N/A
CP/CV RATIO 1.3643 1.3729 N/A
ENTROPY, BTU/LB-F 2.4736 2.5637 N/A
IDEAL GHV, BTU/STD FT3 1113.3374 1068.8675 N/A
IDEAL LHV, BTU/STD FT3 1006.0398 964.5543 N/A
WOBBE INDEX 52526.0991 51601.8657 N/A
MOLECULAR WEIGHT 18.1581 17.3327 N/A
ACT DENSITY, LB/BBL 8.8581 8.4527 N/A
COMPRESSIBILITY (Z) .9436 .9488 N/A
PSEUDO CRIT. TEMP, F -91.6637 -100.2373 N/A
PSEUDO CRIT. PRES, PSIA 666.5125 668.6143 N/A
(1) STANDARD VAPOR VOLUME IS 379.49 FT3/LB-MOLE (60 F AND 14.696 PSIA)
Process The flowsheet is given in Figure A5.1. For the purpose of establishing the process
Data conditions, the various caustic wash units (for removal of H2SO4) are not considered.
Also, for simulation purposes, the acid is considered to be pure H2SO4. Typically,
96 wt % acid is used in the actual plant.
A5 H2SO4
ALKYLATION
Figure A5.1
H2SO4 Alkylation
Table A5.1
Feed Stream Conditions
isopentane -- 5.0 --
Total rate, bbl/hr 399.5 413.0 45.0
A5 H2SO4
Methods Soave-Redlich-Kwong (SRK) is used to model the hydrocarbon streams. There are
and Data three approaches to modeling the acid stream:
1. The most rigorous method of modeling the acid stream is to provide alpha
parameters for the H2SO4 that predict the heat capacity, and SRK interaction
Simulation We assume for this simulation that cooling water exists to cool process streams to
Model as low as 100 F. Estimates for recycle streams are provided to improve CPU time.
The flowsheet is split into a control and two recycle loops. The control loop is
innermost and fixes the separator outlet temperature at 45 F. The inner recycle loop
solves the reactor effluent/product separation circuit. The outer loop includes the
recycle back to the depropanizer. Note that the reactor is solved on every pass
through each loop, which is why the CPU time is impacted if rigorous three phase
flashes are performed for the reactor simulation.
The compressor requirements are solved outside the loop. A simple flash drum
simulates the exit conditions of the aftercooler for the purposes of solving the recycle.
The two compressor stages and the aftercooler are modeled separately after all loops
A5 H2SO4
are solved.
ALKYLATION
The yields for reacting isobutane with each of the existing olefins are taken from Cupit,
et al1. As olefin is injected into each reaction chamber, we assume that the reaction
proceeds instantaneously to 100% consumption of olefin. In practice, this is a good
assumption provided adequate mixing occurs. The consumption of acid and production
of acid-soluble reaction by- products is ignored in this simulation. PRO/II automatically
predicts the heats of reaction from pure component heat of formation data.
Input English units are used, with barrels for liquid volume units and specific gravity for standard
Data density. Liquid volume rate printout is requested. The special alpha formulation that
predicts the acid heat capacity is provided on the SA06 statement in the Thermodynamic
Data Category. User-defined output reports are requested in the Stream Data Category
for reporting the flowsheet feeds and products on a volume basis.
COMP DATA
LIBID 24,H2SO4,BANK=SIMSCI
TC(K) 24,924
PC(BAR) 24,64
THERMODYNAMIC DATA
METHOD SYSTEM=SRK,SET=SRK
ENTHALPY ALPHA=SIMSCI
SA06 24,1.81341,1.25196,0.566576
STREAM DATA
$ SATURATE FEED
PROP STREAM=1,TEMP=100,PRES=400, &
COMP(LV)=1,2 / 2,10 / 3,100 / 4,187.5 / 5,100.
$ OLEFIN FEED
PROP STREAM=2,TEMP=100,PRES=215, &
COMP(LV)=3,9 / 4,95 / 5,50 / 6,9 / 7,14/ 8,175 /9,56 / 10,5
$ ACID FEED
PROP STREAM=SA1, TEMP=45, PRES=40, COMP(WT,LB/HR)=24,1000000
$ DEIC4 FEED
$ PROP STREAM=253,TEMP=110,PRES=120,REFSTREAM=25
$ DEC2 FEED
PROP STREAM=11B,TEMP=140,REFSTREAM=11A
A5 H2SO4
10,DEC3 FEED/11,PROPANE TO DEC2/12,DEC4 BOTTOMS/ &
20, OLEFIN TO RXN/21,IC4 TO RXN/24, RXN VAPORS/&
ALKYLATION
25, RXN LIQUIDS/26, COMP SURGE DRUM LIQ/27, RCY TO DEC3/&
30, DEIC4 OVHD/ 30R, IC4 RCY/32, BUTANE/332,ALKYLATE/&
40, FUEL GAS/41B, HD5 PROPANE
FORMAT ID=VOLSUM,NAME,LRATE(LV,1,2,BBL/DAY)=C2+,&
LRATE(LV,3,BBL/DAY)=PROPANE,&
LRATE(LV,4,BBL/DAY)=I-BUTANE,&
LRATE(LV,5,BBL/DAY)=N-BUTANE,&
LRATE(LV,6,BBL/DAY)=PROPENE,&
LRATE(LV,7,9,BBL/DAY)=BUTENES,&
LRATE(LV,10,BBL/DAY)=PENTANE,&
LRATE(LV,11,23,BBL/DAY)=C6+,&
RATE(LV,BBL/DAY),TEMP,PRES
FLASH UID=FX,NAME=OLEFIN FD
$ THIS SIMULATES THE OLEFIN FEED FROM THE BOTTOM OF THE
$ OLEFIN DEPROPANIZER (WHICH WILL BE ADDED AT A LATER DATE
FEED 2
PROD L=2A
BUBB TEMP=200
PUMP UID=P1
FEED 27
PROD L=27P
OPER PRES=400
HX UID=FB2
COLD FEED=1,1NB,27P,L=10
OPERATION CTEMP=170
SPEC STREAM=12,COMP=3,RATE,VALUE=50.0
ESTI MODEL=CONVENTIONAL,RRATIO=9.0
A5 H2SO4
DUTY 1,1/2,40
VARY DUTY=1,2
PSPEC PTOP=315,DPCOL=10
PRINT PROP=BRIEF
HX UID=FB2X
HOT FEED=12,L=121,DP=5
OPERATION
DEFINE DUTY AS HX=FB2, DUTY
SPLITTER UID=S1
FEED 26
PROD L=27,L=28
SPEC STREAM=27,RATE(LV),VALUE=75
HX UID=H2, NAME=ECONOMIZER
HOT FEED=2B,L=20,DP=3
COLD FEED=122,3,28V,DP=1,L=21,V=29
OPERATION HTEMP=65
CONTROLLER UID=C1
SPEC STREAM=21,TEMP,VALUE=55,ATOL=0.002
VARY VALVE=V1,DP,MAXI=70
SPLITTER UID=OLSP,NAME=OLEFIN_SPLITTER
FEED 20
PROD V=20A, V=20B, V=20C, V=20D
SPEC STREAM=20A,RATE,RATIO, REFF, VALUE=0.25
SPEC STREAM=20B,RATE,RATIO, REFF, VALUE=0.25
SPEC STREAM=20C,RATE,RATIO, REFF, VALUE=0.25
A5 H2SO4
20, 0.6688/ 21, 0.4325/ 22, 0.0468/ 23, 0.0315
BASE COMP=6
ALKYLATION
CONVERSION 1.0
STCALC UID=F1X,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 1ST STAGE REACTOR
FEED 24X
OVHD V=24A,L=25A
BTMS STREAM=25AX
FOVHD 1,23,1.0/24,0.0
10, 1.2706/ 11, 0.5925/ 12, 0.3827/ 13, 0.2638/ 14, 2.5703/ &
15, 0.3627/ 16, 0.5101/ 17, 2.1523/ 18, 0.3998/ 19, 0.2074/ &
A5 H2SO4
A5 H2SO4
$ 2-BUTENE - ISOBUTANE REACTION
STOIC 4,-10.9924/ 8, -11.3233/ &
ALKYLATION
10, 0.6347/ 11, 0.6261/ 12, 0.2832/ 13, 0.1703/ 14, 3.3018/ &
15, 0.4360/ 16, 0.5566/ 17, 4.6514/ 18, 0.1852/ 19, 0.0782/ &
20, 0.0891/ 21, 0.0799/ 22, 0.2831
BASE COMP=8
CONVERSION 1.0
STCALC UID=F1Z,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 3RD STAGE REACTOR
FEED 24Z
OVHD V=24C,L=25C
BTMS STREAM=25CX
FOVHD 1,23,1.0/24,0.0
10, 0.6877/ 11, 0.5870/ 12, 0.3016/ 13, 0.1730/ 14, 3.1778/ &
15, 0.5271/ 16, 0.6466/ 17, 4.2314/ 18, 0.1686/ 19, 0.0984/ &
20, 0.0720/ 21, 0.0761/ 22, 0.2674/ 23, 0.0079
BASE COMP=9
CONVERSION 1.0
STCALC UID=F1ZZ,NAME=3_PHASE
$ SEPARATOR/FLASH FOR 4TH STAGE REACTOR
FEED 24ZZ
OVHD V=24D,L=25D
BTMS L=25DX
FOVHD 1,23,1.0/24,0.0
CONTROLLER UID=C2
SPEC STREAM=24,TEMP,VALUE=45,ATOL=0.02
VARY SPLITTER=S1,SPEC,MINI=1,MAXI=1000
$--------------------------------------------------------------------------------------------------------
$ REFRIGERATION CIRCUIT
PUMP UID=P2,NAME=EFFL_PUMP
FEED 25
PROD L=251
OPERATION PRES=120
A5 H2SO4
HX UID=FB4X,NAME=EFFL_ALKY
ALKYLATION
COLD FEED=251,L=253X,DP=5
OPER CTEMP=110
COLUMN UID=DIC4,NAME=DEISOBUTANIZER
PARA SURE=20 TRAYS=42 $ , DAMP=0.9
FEED 253X,1
PROD OVHD=30,BTMS=31,1300
DUTY 1,42
SPEC STREAM=30,RATE(LV),VALUE=2500 $ THIS SETS THE IC4 RECYCLE
SPEC(CHANGE) TRAY=1,TEMPERATURE,VALUE=126.5
VARY DUTY=1
ESTIMATE MODEL=CONVENTIONAL
PRESSURE 1,90/42,95
PRINT PROP=BRIEF
HX UID=CON1,NAME=DIC4_COND
HOT FEED=30,L=301,DP=5
UTIL WATER TIN=70,TEMP=80
OPER HLFRAC=1.0
COLUMN UID=DEC4,NAME=DEBUTANIZER
PARA TRAYS=30
FEED 31,15
PROD OVHD=32,150,BTMS=33
COND TYPE=TFIX,TEMP=100,PRES=80
DUTY 1,1/2,30
SPEC STREAM=33,RVP,VALUE=12.0
SPEC RRATIO, VALUE=1.0
VARY DUTY=1,2
ESTIMATE MODEL=CONVENTIONAL
PRESSURE 2,85/30,90
PRINT PROP=BRIEF
HX UID=FB4,NAME=EFFL_ALKY
COLD FEED=252,L=253,DP=5
HOT FEED=33,L=331,DP=5
OPER CTEMP=110
HX UID=CL4,NAME=ALKY_CLR
HOT FEED=331,L=332,DP=5
UTIL WATER TIN=70,TEMP=80
OPER HTEMP=100
PUMP UID=P3
FEED 11
PROD L=11A
ALKYLATION
OPERATION PRES=600
A5 H2SO4
HX UID=FB1
COLD FEED=11A,L=11B,DP=5
HOT FEED=41,L=41A,DP=5
OPERATION HOCO=5
A5 H2SO4
RECYCLE
ALKYLATION
LOOP NO=1, START=P1, END=FT1
LOOP NO=2,START=DEC2,END=FB1
END
Output Excerpts from the output report are given here. Note that the temperature reported
in each reactor stage is not correct because the REACTOR module does not support
three phase equilibrium. The correct temperature is reported in the stream calculator
report where the acid phase is split off, and a true vapor-liquid equilibrium flash is
performed.
ALKYLATION
A5 H2SO4
A5 H2SO4
VAPOR PRODUCT 29
VAPOR, LB-MOL/HR 1246.998 1476.573
ALKYLATION
M LB/HR 68.269 80.978
CP, BTU/LB-F 0.401 0.400
LIQUID, LB-MOL/HR 5780.386 5550.811
M LB/HR 327.789 315.080
CP, BTU/LB-F 0.569 0.568
TOTAL, LB-MOL/HR 7027.383 7027.383
M LB/HR 396.058 396.058
VAPORIZATION, LB-MOL/HR 229.575
TEMPERATURE, F 56.067 54.999
PRESSURE, PSIA 40.293 39.293
INLET OUTLET
------------------------ ------------------------
FEED 20A
21
30R
SA1
LIQUID PRODUCT 24X
TEMPERATURE, F 13.17 27.00
PRESSURE, PSIA 39.2933 30.0000
REACTION DATA
24X 1.000
VAPOR 24A
LIQUID 25A 25AX
A5 H2SO4
ALKYLATION
25D 1.000
25DX 1.000
VAPOR 24E
ALKYLATION
LIQUID 25 SA2
OPERATING CONDITIONS
A5 H2SO4
THEORETICAL 865.44
POLYTROPIC 871.71
ALKYLATION
ACTUAL 1081.80
OPERATING CONDITIONS
THEORETICAL 2044.39
POLYTROPIC 2044.37
ACTUAL 2044.39
A5 H2SO4
A5 H2SO4
SPECIFICATIONS
ALKYLATION
PARAMETER TRAY COMP SPECIFICATION SPECIFIED CALCULATED
TYPE NO NO TYPE VALUE VALUE
------------------------ ------------ ------------ -------------------------------- ------------------------ ------------------------
UNIT DEC3 1 RRATIO 9.000E+00 9.000E+00
STRM 12 40 3 MOL RATE 5.000E+01 5.012E+01
SPECIFICATIONS
Product Streams
STREAM ID 40 41B 32 332
NAME FUEL GAS HD5 PROPANE BUTANE ALKYLATE
PHASE VAPOR LIQUID LIQUID LIQUID
A5 H2SO4
2 PROPANE 126.9336 2549.4150 4.0536E-12 1.1636E-13
ALKYLATION
3 I-BUTANE 3.1551E-03 0.5207 442.8231 127.2228
4 N-BUTANE 1.1741E-05 4.6006E-03 2266.6260 1666.1680
5 PROPENE 0.0000 0.0000 0.0000 0.0000
6 BUTENES 0.0000 0.0000 0.0000 0.0000
7 PENTANE 4.1997E-14 2.2554E-10 34.4840 561.6192
8 C6+ 1.8685E-13 1.9002E-12 9.3373E-04 10215.5900
RATE, BBL/DAY 238.4444 2726.4320 2743.9340 12570.6000
TEMPERATURE, F 100.00 100.00 100.00 100.00
PRESSURE, PSIA 420.000 425.000 80.000 80.000
Process The flowsheet for the synthesis loop is shown in Figure A6.1.
Data
A6 AMMONIA
SYNTHESIS
Figure A6-1:
Ammonia Synthesis Loop
The main ammonia product is more than 99.5% pure. The feed to the synthesis
comes from reformed natural gas and is equivalent to a natural gas consumption of
6 million SCFD. The composition and thermal condition of the feed to the loop are
shown in Table A6.1.
Component lb mole/hr
Hydrogen 2424.30
Nitrogen 807.50
Argon 9.58
Methane 15.16
Temperature (F) 95.0
Pressure (psig) 4955.0
The compressed synthesis gas is mixed with the recycle stream and introduced into
the synthesis loop after the recycle compressor. The compressor operates with an
outlet pressure of 4950 psig. The gas mixture is chilled to 40 F 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.
The ammonia synthesis reaction is:
→
N2 + 3H2 ← 2NH3
The reference condition for heat of reaction data is vapor at 800 F and the heat of
reaction is -45.18 x 103 energy units per mole of nitrogen converted. The equilibrium
constant is a function of temperature according to the Arrhenius equation:
Ln(Keq) = A + B/T
Where: A = -32.975
B = 22930.4
The reactor product is cooled to 85 F and the liquid ammonia product is removed
in the primary separator.
A purge is removed after the primary separator to prevent build up of inerts in the
loop. The molar concentration of inerts (argon and methane) in the convertor feed
is maintained at 12%. You wish to see the effect of increasing this to 16%.
SYNTHESIS
A6 AMMONIA
Methods The thermodynamic properties of the components in this simulation are suitably
and Data modeled by the Modified Soave-Redlich-Kwong (SRKM) equation of state combined
with Rackett liquid densities (Note 2). SRKM contains the necessary interaction
parameters to predict the correct separation in the separators and generally yields
good results for ammonia plants. The Rackett method is used in preference to the
default API liquid density method because it provides better predictions for non-hy-
drocarbons such as N2 and H2.
A6 AMMONIA
SYNTHESIS
Figure A6-2:
Simulation Flowsheet for
Ammonia Synthesis Loop
solved repeatedly until convergence. However, it is clear that the flowrate and compo-
sition of stream 30 is the same as for stream 29. Further, whether we know the
temperature and pressure of stream 30 does not affect the product streams of D-7 since
this isothermal flash unit has a fixed outlet temperature and pressure. We can
therefore define stream 30 as being REFERENCED to stream 29 and provide an
initial estimate for its temperature and pressure. The result of this is that the flowrate
and composition of stream 30 will be automatically updated whenever the conditions
of stream 29 change. We can therefore solve D-7 before X-4 and these two units
can be incorporated into the outer loop from CP-4 to SP1. The temperature and
pressure of stream 30 converge simultaneously with the mass recycle loop.
The above arguments can also be applied to the thermal recycle loop involving the
feed preheater (FDEF) and the converter (RX-7). Here, stream 34 is referenced to
stream 33 and initial estimates for it’s temperature and pressure are provided.
COMPONENT DATA
LIBID 1,H2 / 2,N2 / 3,A / 4,C1 / 5,NH3
THERMO DATA
METHOD SYSTEM=SRKM, DENS(L)=RACKETT $NOTE 2
STREAM DATA
OUTPUT FORMAT=1, NSTREAM=4 $ NOTE 3
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=28, TEMP=95, PRES=4955, *
COMP=1,2424.3/2,807.5/3,9.58/4,15.16
$ INITIAL GUESS FOR RECYCLE STREAM
PROP STRM=40, TEMP=85, PRES=4660, *
COMP=1,6000/2,2000/3,500/4,1000/5,1000
$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE AROUND FDEF
PROP STRM=34, REFS=33, TEMP=575, PRESS=4780
A6 AMMONIA
$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE AROUND X-4
SYNTHESIS
PROP STRM=30, REFS=29, TEMP=54, PRES=4900
NAME 28, SYN GAS / 40, RECYCLE / 39, PURGE / *
38, PRI SEP / 32, SEC SEP / 34, RX FEED / *
42, LET DWN GAS / 43, NH3 PROD
MIXE UID=MIX1
FEED 28,41
PROD M=29
HX UID=X-4
COLD FEED=32, V=33, DP=50
HOT FEED=29, M=30, DP=50
OPER CTEM=85
CONT UID=CTL1
SPEC STRE=32,COMP=3,4,FRAC,VALU=0.12,ATOL=1.0E-3
VARY SPLIT=SP1,SPEC,PCT2=1
CPAR ITER=100, IPRINT
RECYCLE DATA
ACCELERATION TYPE=WEGSTEIN
END
A6 AMMONIA
Given this situation, it is often preferable to solve the tear stream equations and the
controller specification simultaneously using a MULTIVARIABLE CONTROLLER. SYNTHESIS
We begin by actually tearing stream 40 and defining a new stream 40R which enters
compressor CP-4. The initial estimate for the recycle stream used above is now
used as the initial estimate for stream 40R. The MVC will be used to vary the
conditions of stream 40R until the calculated conditions of stream 40 are the same
(within tolerance) as those of 40R. From the input data we can see that the
temperature and pressure of stream 40 are fixed by the flash specifications for
separator D-6. Therefore the temperature and pressure balance is automatically
satisfied and the MVC only needs to include the equations equating the component
flowrates of streams 40 and 40R.
The following calculator is included as the first unit in the calculation sequence:
CALC UID=CAL1
DEFINE P(1) AS STRE=40R, RATE, COMP=1
DEFINE P(1) AS STRE=40R, RATE, COMP=2
SYNTHESIS
The first time through, the values of the results variables R(1) to R(5) are set to the
flowrates provided as an initial estimate for stream 40R. Subsequently, the values
of the individual R’s are modified by the MVC and the new values are loaded into
the stream using the SRVSTR function.
Finally, we wish to converge the tear stream and controller specification simultane-
ously, hence we include the controller variable (flowrate of purge stream) and
specification (fraction of inerts in reactor feed) as part of the multivariable controller.
Note that since we have essentially remove the mass recycle loop, the two small
thermal loops will be fully converged at each iteration of the multivariable controller.
The input file for this strategy is given below. This strategy is suitable when there
are only few components and the recycle and controller loops are of similar size.
COMPONENT DATA
LIBID 1,H2 / 2,N2 / 3,A / 4,C1 / 5,NH3
THERMO DATA
METHOD SYSTEM=SRKM, DENS(L)=RACKETT $ NOTE 1
A6 AMMONIA
STREAM DATA SYNTHESIS
OUTPUT FORMAT=1, NSTREAM=4 $ NOTE 3
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=28, TEMP=95, PRES=4955, *
COMP=1,2424.3/2,807.5/3,9.58/4,15.16
$ INITIAL GUESS FOR RECYCLE STREAM
PROP STRM=40R, TEMP=85, PRES=4660, *
COMP=1,6000/2,2000/3,500/4,1000/5,1000
$ REFERENCE STREAM TO ELIMINATE THERMAL RECYCLE AROUND FDEF
PROP STRM=34, REFS=33, TEMP=575, PRESS=4780
RXDATA
RXSET ID=1
REACTION ID=1
STOI 1,-3 / 2,-1 / 5,2 $ 3H2 + N2 =
2NH3
EQUI A=-32.975 B=22930.4
HORX REFCOMPONENT=2, HEAT=-45.108, REFTEMP=800
CALC UID=CAL1
DEFINE P(1) AS STRE=40R, RATE, COMP=1
DEFINE P(1) AS STRE=40R, RATE, COMP=2
DEFINE P(1) AS STRE=40R, RATE, COMP=3
DEFINE P(1) AS STRE=40R, RATE, COMP=4
DEFINE P(1) AS STRE=40R, RATE, COMP=5
SEQU STRE=40R
PROCEDURE
$ Initial estimate for stream 40R
IF ( R(100).GT.0 ) GOTO 100
R(1) = P(1) $ H2
R(2) = P(2) $ N2
R(3) = P(3) $ A
R(4) = P(4) $ C1
R(5) = P(5) $ NH3
R(100) = 1
GOTO 200
SYNTHESIS
A6 AMMONIA
100 CONTINUE
$ Store stream 40R
CALL SRVSTR(SCMR,R(1),40R,1,5)
200 CONTINUE
RETURN
MIXE UID=MIX1
HX UID=X-4
COLD FEED=32, V=33, DP=50
HOT FEED=29, M=30, DP=50
OPER CTEM=85
A6 AMMONIA
ISOTHERMAL TEMP=85, PRES=4660 SYNTHESIS
MVC UID=CTL1
SPEC STRE=32,COMP=3,4,FRAC,VALU=0.12,ATOL=1.0E-3
SPEC STRE=40,RATE,COMP=1,RA-
TIO,STRE=40R,RATE,COMP=1,VALU=1,RTOL=1.E-4
SPEC STRE=40,RATE,COMP=2,RA-
TIO,STRE=40R,RATE,COMP=2,VALU=1,RTOL=1.E-4
RECYCLE DATA
ACCELERATION TYPE=WEGSTEIN
END
Input Data
The simulation uses English units with the pressure changed to psig. A plant mass
balance summary output is requested. An initial estimate is provided for the mass
recycle stream. A user-defined report is specified in the Stream Data category of
input (Note 3). Alternatively, PRO/II with PROVISION’s Stream Properties Table
can be used to generate an equivalent user-defined stream output.
The simulation is run twice, once with the fraction of inerts in the reactor feed specified
at 12% and then at 16%. Using keywords, both cases can be run automatically using
a CASESTUDY statement such as:
CASESTUDY OLDCASE=BASECASE, NEWCASE=16PT
SYNTHESIS
A6 AMMONIA
CHANGE MVC=CTL1,SPEC(1),VALUE=0.16
Using PRO/II with PROVISION, the inert fraction specification can be changed
through the MVC data entry window, and the simulation executed a second time.
Results The synthesis loop solves with an ammonia product purity of 99.76%. When the
inert concentration in the reactor feed is increased to 16%, the flowrate of the
ammonia product stream increases by 1.2%. It’s purity is now 99.74% A higher
concentration of inerts in the reactor feed stream increases the reactor conversion.
However, a higher recycle flowrate also produces corresponding increases in the
recycle compressor work and in the separator duties.
Clearly, the value of the increased ammonia must be set against the increased
operating costs in order to determine if the higher inerts concentration is a better
operating strategy.
Conclusions The model can be used to quantify the effects of any operating changes although
economic analyses are required to identify the optimum conditions. Other parame-
ters which might be investigated are: the purity of the feed gas; ratio of recycle to
fresh feed; hydrogen/nitrogen ratio in the feed; synthesis loop pressure; and the
various temperature levels in the loop.
Output The flowsheet is first solved with 12% inerts in the reactor feed. Using solution
strategy I, the simulation converges at the third controller iteration. Each controller
iteration involves several recycle trials. Using solution strategy II, 15 multivariable
controller iterations are required to converge the flowsheet. Selected portions of the
output using solution strategy II (for 12% inerts only) are included in the following pages.
When the inert fraction specification is changed to 16% and the flowsheet is resolved,
strategy I takes 5 controller iterations (again, each of these involves numerous recycle
trials), while solution strategy II again requires 15 MVC iterations.
A6 AMMONIA
SYNTHESIS
PRODUCT STREAMS: 39 42 43
40
BEST CYCLE = 15
CONVERGENCE HISTORY
A6 AMMONIA
SYNTHESIS
FEEDS 40R
PRODUCTS VAPOR 41
OPERATING CONDITIONS
A6 AMMONIA
SYNTHESIS
OPERATING CONDITIONS
OPERATING CONDITIONS
INLET OUTLET
--------------------- ---------------------
FEED 34
VAPOR PRODUCT 35
TEMPERATURE, F 564.18 925.67
PRESSURE, PSIG 4760.0000 4730.0000
REACTION DATA
LB-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
------------------------------------ --------------------- --------------------- ------------------------
2 N2 1 788.7233 .2845
A6 AMMONIA
--------------------- RATES, LB/HR ------------------------ FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED SYNTHESIS
------------------------------------ --------------------- --------------------- --------------------- ---------------------
1 H2 17153.3068 -4770.2014 12383.1054 .2781
2 N2 77670.8612 -22094.5057 55576.3555 .2845
3 A 30096.5061 .0000 30096.5061
4 C1 13690.3849 .0000 13690.3849
5 NH3 8544.3123 26864.7071 35409.0195
A6 AMMONIA
SYNTHESIS
A6 AMMONIA
SYNTHESIS
TEMPERATURE, F 80.66
PRESSURE, PSIG 350.000
ENTHALPY, M BTU/LB-MOL .7991
Process
Data
Figure A7.1: MTBE Synthesis
The feed stream is preheated to 43.5 C before being sent to the re-
actor where the three reactions shown in Table A7.2 take place.
In the main reaction, 96% of the methanol reacts with IBTE to form
MTBE. The MTBE reactive distillation column follows the reactor.
The MTBE column feed is first heat exchanged with the column bot-
toms product. The IBTE further reacts in the column to give an over-
all conversion to MTBE approaching 99%. The kinetics of the
reaction MeOH + IBTE = MTBE is given by the following expres-
sions2:
Synthesis
A7 MTBE
2
The kinetic expressions given are for demonstration purposes only.
Methods All the components in the simulation are in the PRO/II databanks.
and Data The NRTL liquid activity VLE method is adequate for the thermody-
namic calculations. Interaction parameters missing from the NRTL
databank are supplied by UNIFAC. All the azeotropes are properly
predicted.
Input Data The simulation uses SI units. A plant mass balance summary output
is requested. Note how the reaction tray in the MTBE column is
specified (Note 1). The catalyst concentration in g/l is specified using
a DEFINE statement (Note 2).
A7 MTBE
Synthesis
COMP DATA
LIBID 1,NC4 / & $ N-BUTANE
2,IC4 / & $ I-BUTANE
3,1BUTENE / & $ BUTENE-1
4,BTC2 / & $ CIS BUTENE-2
5,BTT2 / & $ TRANS BUTENE-2
6,IBTE / & $ ISO BUTENE
7,MTBE / & $ METHYL TERTIARY BUTYL ETHER
8,MEOH / & $ METHANOL
9,TBA / & $ TERT BUTYL ALCOHOL
10,H2O / & $ WATER
11,244TM1P,,DIB $ DI-ISO BUTYLENE & ISOMERS
THERMO DATA
STREAM DATA
OUTPUT FORMAT=CHEMICAL
RXDATA
RXSET ID=MTBE
REACTION ID=MTBE
STOICH 6, -1/8, -1/7, 1
Synthesis
PHASE DEFAULT=LIQUID
A7 MTBE
BASE COMP=8
KINETIC PROCEDURE=MTBE, POSITION=1
KS=6.0E+16*EXP(-87900.0/(R*TK))
KA=5.1E-13*EXP(97500.0/(R*TK))
KC=1.6E-16*EXP(119000.0/(R*TK))
K=EXP(-17.31715+(7196.776/TK))
RHOA=(XLCONC(MEOH)/GCAT)
RHOB=(XLCONC(ITBE)/GCAT)
RHOC=(XLCONC(MTBE)/GCAT)
RDEM=(1.0 + (KA*RHOA) + (KC*RHOC))
RATE=KS*KA*(RHOA*(RHOB**0.5)-((RHOC**1.5)/K))/RDEM
RRATES(1) = RATE*GCATX*1000./LITRES
RETURN
UNIT OPS
HX UID=HX-1, NAME=FEED HEAT
COLD FEED=1,2,20, L=3, DP=34.5
OPER CTEMP=43.5
BASE COMP=10
CONV 1.00
STOIC 6,-1 / 8,-1 / 7,1 $ IBTE + MEOH = MTBE
BASE COMP=8
CONV 0.96
HX UID=HX-2, NAME=FEED-BTMS
COLD FEED=4, L=5X, DP=34.5
HOT FEED=7, L=8, DP=34.5
OPER CTEMP=72
END
Results Overall, 98.8% of the IBTE was converted to MTBE, with 96% of that
occuring in the reactor and the remainder in the MTBE reactive distil-
lation column. The MTBE product stream was over 99.5% pure.
Output The following data were extracted from the PRO/II output:
1) Reactor summary
2) MTBE reactive distillation column summary
3) Stream output for selected streams.
Synthesis
A7 MTBE
OPERATING CONDITIONS
INLET OUTLET
--------------------- ---------------------
FEED 3
LIQUID PRODUCT 4
TEMPERATURE, C 43.50 55.00
PRESSURE, KPA 1585.5000 1516.5000
REACTION DATA
KG-MOL/HR FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED(1)
------------------------------------ --------------------- --------------------- ------------------------
6 IBTE 1 0.7013 2.50000E-03
10 H2O 2 0.2000 1.0000
8 MEOH 3 273.1200 0.9600
CHEM METHOD 34
COLUMN SUMMARY
SPECIFICATIONS
REFLUX RATIOS
STREAM ID 1 2 3 4
NAME MEOH FEED OLEFINS
PHASE LIQUID LIQUID LIQUID LIQUID
STREAM ID 5 5X 6 7
NAME T-1 OVHD
PHASE LIQUID LIQUID LIQUID LIQUID
STREAM ID 5 5X 6 7
NAME T-1 OVHD
PHASE LIQUID LIQUID LIQUID LIQUID
STREAM ID 8 20
NAME MTBE MEOH RECYC
PHASE LIQUID LIQUID
Before entering the columns, the carbon dioxide and water are re-
moved from the feed air. The details of the feed are shown in Table
A8.1. The traces of rare gases other than argon are ignored.
Component Mole %
Nitrogen 78.11
Argon 0.93
Oxygen 20.96
Flowrate (kmol/hr) 9386.00
The air fed to the bottom of the HP Column is precooled to its dew
point by exchange with the gaseous products. Ten percent of the
feed air is split off and fed to the LP Column at 5K above its dew
point.
Because the main uses of nitrogen are to exclude oxygen, the nitro-
gen product must contain very little oxygen. In this process, the
amount of oxygen in the nitrogen product must not exceed 10ppm.
Impurities in the oxygen product are not as tightly controlled but the
purity must be greater than 99.5%.
Argon is also used to exclude oxygen and may also contain only
very small amounts of oxygen as an impurity. However, the relative
volatility of argon to oxygen is about 1.1 at the top of the Argon Col-
umn and so it is not practical to remove all the oxygen by distillation.
The expected purity is about 98%. The argon product is further
treated by catalytic deoxygenation where the remaining oxygen is
burned with hydrogen. This process is not simulated here.
A8 Air Separa-
nents in order to obtain an accurate simulation model.
Tion Plant
This simulation uses separate interaction data for the high and low
pressure sections of the process. The low pressure nitrogen/argon
interaction parameter is taken from the literature. The nitrogen/oxy-
gen and the argon/oxygen interactions were obtained by regressing
literature data for the specific pressure range using the REGRESS
program. For the HP column, the nitrogen/argon interaction is as-
sumed to be ideal.
Simulation The ‘‘Simulation Flowsheet’’, shown in Figure A8.2, differs from the
Model process flowsheet in that it includes stream identifiers and shows the
way the simulation is solved.
cle. After the recycle has converged, the E1E2 exchanger, HP Col-
umn condenser, LP Column reboiler and the Argon Column
condenser are calculated to ensure that there are no temperature
crossovers.
Input Data The simulation uses Metric units with temperatures in Kelvin and
pressures in atmospheres. The threshold limit for recycle conver-
gence is tightened to ensure that the small amount of nitrogen in the
recycle is checked when determining the convergence (Note 1). In
order to check the overall material balance, the PRINT MBAL option
instructs PRO/II to print out an overall balance over the flowsheet.
An initial estimate must be supplied for the return stream to the LP
Column from the Argon column because the argon product flowrate
is low compared to the return stream - about 4% of the feed.
Because the argon product purity is controlled by the operation of
the LP Column, a recovery specification is used on the Argon Col-
umn. A third of the argon in the feed is typically recovered overhead
and the condenser duty can be varied in order to meet this. The ex-
pected argon product purity is in the region of 98%.
Once the distillation columns have been solved, the exchangers be-
tween the HP and LP Columns can be calculated. The simulation
flowsheet is shown in Figure A8.2. The exchangers E1 and E2 are
combined into the LNGHX unit E1E2.
Exchangers E3 and E4 are the Argon and HP Column condensers. The
streams AV1 and HPV are created from the vapor flow into the condens-
ers using the TFLOW statement. LPL is created from the liquid flow into
the LP Column reboiler which is the other side of the HP Column con-
denser. These exchangers are modeled in order to enable PRO/II to
check that the temperature levels are correct - i.e. there are no cross-
overs.
The duty on the first stream in exchanger E1E2 is set equal to that
calculated in E1 when setting the LP Column feed condition. The
duty on the second stream in E1E2 is defined as the duty of E2 mi-
nus the duty of the Argon Column condenser. The condenser duty
is actually negative so it is added to the E2 duty on the DEFINE
statement to give the cooling duty in E1E2 (Note 2).
The duties of E3 and E4 are simply defined as the same as that of
the corresponding column condenser. If temperature crossovers oc-
cur, PRO/II will automatically print an error message.
Tion Plant
TITLE PROBLEM=A8,PROJECT=APPBRIEFS,USER=SIMSCI,DATE=JAN 95
DIME METRIC,TEMP=K,PRES=ATM
PRINT MBAL,STREAM=PART,RATE=M,FRAC=M
TOLERANCE STREAM=,,1.0E-5 $NOTE 1
COMPONENT DATA
LIBID 1,NITROGEN/2,ARGON/3,OXYGEN
THERMODYNAMIC DATA
$ Low pressure data
METHOD SYSTEM=SRK,DENS(L)=IDEAL,SET=1,DEFAULT
KVAL(VLE)
SRK 1,3,-0.00694/&
1,2,0.0056/&
2,3,0.01574
$ High pressure data
METHOD SYSTEM=SRK,DENS(L)=IDEA,SET 2
KVAL(VLE)
SRK 1,3,-0.01089/&
1,2,0.0/&
2,3,0.01697
STREAM DATA
PROP STRM=1,TEMP=278,PRES=6,RATE=9386,COMP=78.11/0.93/20.96
UNIT OPERATIONS
FLASH UID=DEW
FEED 2
PROD V=5
DEW DP=0
OPER HDTAD=5
Tion Plant
HX UID=E2
HOT FEED=8,M=11,DP=4.55
OPER HLFR=.45
A8 Air Separa-
SPEC STRE=17,COMP=2,RATE,RATIO,STRE=15,VALUE=0.3333
Tion Plant
VARI HEAT=1
METHOD SET=1
LNGHX UID=E1E2
HOT FEED=12,M=13
HOT FEED=8,M=9
COLD FEED=18,M=19
DEFINE DUTY(1) AS 1.0000 MULTIPLY HX=E1 DUTY
DEFINE DUTY(2) AS HX=E2 DUTY PLUS COLU=ARG DUTY(1) $NOTE 2
VALVE UID=V2
FEED 9
PROD M=10
OPER DP=4.55
HX UID=E3,NAME=AR CONDENSER
COLD FEED=10,M=11A
HOT FEED=AV1,L=AL1
DEFINE DUTY AS -1.0000 MULTIPLY COLU=ARG DUTY(1)
END
Conclusions The base case model successfully simulates the current perform-
ance. The amount of liquid oxygen is not specified directly but is de-
termined by the overall heat balance of the system. The additional
cooling required for more liquid product will require reducing the en-
thalpy of the column feeds.
These studies can now be carried out to investigate the feasibility of
more liquid products.
Output Selected PRO/II output is shown below. This shows the overall
mass balance, the condenser/reboiler between the HP and LP col-
umns and the intercolumn LNG exchanger output.
The summary output is shown for the LP Column. The concentra-
tion plot shows that the argon product is drawn from the LP Column
where the argon concentration is at its maximum.
Finally, the stream component molar fractions are shown for all the
streams in the flowsheet, including the column pseudo-product
streams.
Tion Plant
PLANT MATERIAL BALANCE JAN95
==========================================================================
FEED STREAMS: 1 8 12
HPV LPL AVI
PRODUCT STREAMS: 17 21 22
13 19 AL1
11A HPV1 LPL1
OPERATING CONDITIONS
Tion Plant
UNIT 9, ’E1E2’
FEEDS 12 8
PRODUCTS LIQUID 13 9
FEEDS 18
PRODUCTS VAPOR 19
VAPORIZATION,KG-MOL/HR 0.000
DUTY, M*KCAL/HR 0.9170
IN/OUT METHOD 19
COLUMN SUMMARY
Tion Plant
UNIT 7, ’LP’, ’LP COLUMN’ (CONT)
SPECIFICATIONS
Tion Plant
UUNIT 7, ’LP’, ’LP COLUMN’ (CONT.)
Tion Plant
STREAM ID 3 5 7 8
NAME HP BTMS
PHASE VAPOR VAPOR VAPOR LIQUID
STREAM ID 9 10 11 11A
NAME
PHASE LIQUID MIXED MIXED MIXED
STREAM ID 12 13 14 15
NAME HP OVHD ARG FEED
PHASE LIQUID LIQUID MIXED VAPOR
STREAM ID 16 17 18 19
NAME ARG BTMS AR PRODUCT
PHASE LIQUID VAPOR VAPOR VAPOR
STREAM ID 21 22
NAME O2 LIQUID
PHASE LIQUID VAPOR
Figure S1.1
p-Xylene Crystallization Process
Process This crystallization process is shown in Figure S1.1 and is based on the work of
Data Haines, Powers and Bennet1. The feed to the process is given in Table S1.1. The
flowsheet contains two crystallization stages with associated auxiliary separation
equipment. A concentrated p-xylene liquor is recycled from the second unit back to
the first unit. The final crystalline product contains 95 % p-xylene.
Component lb/hr
Toluene 2040
p-xylene 5372
m-xylene 13464
o-xylene 6800
Ethylbenzene 6324
Temperature (F) 75
Pressure (psia) 20
The mixed xylene feed is interchanged with the mother liquor from the first crystal-
lization section. The cooled feed is then sent into a scraped surface heat exchanger
chilled with ethylene to -95 F. For the purpose of simulation, the scraped surface
exchanger is separated into an exchanger(FCO1) and crystallizer unit(CR1). The
mother liquor is then sent into a centrifuge(CEN1) to separate the mother liquor from
the crystalline product. The mother liquor is recycled to cool down the feed. The
crystal product is dissolved and sent to the second stage cooler, chilled with propane
to 0 F and sent to the second stage crystallizer. The crystal slurry is separated in
the second centrifuge where the mother liquor is recycled back to the feed and the
final crystal product is sent to a dissolver.
Methods All component data used in the simulation, including solid data, are obtained from
and Data the SimSci pure component library. The ATTRIBUTES statement in the Component
Data Category defines 10 partial size intervals for the p-xylene ranging from 0 to
10000 microns.
ATTRIBUTES COMP=2, PSD(MIC)=0., 10., 25., 50., 75., 100., 250., &
500., 1000., 5000., 10000.
S1 p-XYLENE
The simulation flowsheet is represented in Figure S1.2. The first crystallization
Model stage is explained in detail to demonstrate some of PRO/II’s solids capabilities. The
second stage is nearly identical to the first stage with the exception of the final melt
unit described below.
Figure S1.2
Simulation Model
The crystallization unit is a scraped surface type. To simulate this type of unit, the
feed to the crystallizer is first cooled in the ethylene chiller and then sent to the
crystallization unit.
The crystallizer unit CR1 is rated at 1500 gallons. The crystallizer volume is
calculated to achieve this specification. The operating conditions are -95°F and O.
pressure drop. Slurry recirculation is not used in this process, but could have been
specified if desired. Growth rates and nucleation kinetic constants data are obtained
from literature sources.
The filtering centrifuge unit (CEN1) separates the crystallizer effluent into filtrate and
crystal product. The centrifuge performance is adjusted to achieve the desired liquid
rate of 963 pounds per hour in the cake with the use of controller (CON1).
The dissolver unit is used to dissolve the p-xylene crystals back into solution for
transport to the next unit. The solvent component selected is ethylbenzene, but in
reality the entire mixture acts as a solvent. The dissolver unit is designed to dissolve
all the feed p-xylene at an operating temperature of 75 F.
A melter unit is used for the final crystal product exiting centrifuge number 2. The
unit is operated at 75 F and completely melts all p-xylene product into solution.
Output Selected PRO/II output is shown below. Output selected highlight solids
capabilities.
PRODUCTS LIQUID 13
MIXED 5
OPERATING CONDITIONS
TEMPERATURE, F -95.0000
PRESSURE, PSIA 16.0000
AVERAGE PARTICLE DIAMETER, MIC 52.3251
AVERAGE SOLID DENSITY, LB/FT3 62.8024
TOTAL SOLID FEED MASS FLOW RATE, LB/HR 3981.4330
SURFACE TENSION, DYNE/CM 39.7656
VOLUME FLOW RATE OF FILTRATE, FT3/HR 515.8018
PARTICLE SPHERICITY 0.7500
PHYSICAL CONFIGURATION
CAKE PROPERTIES
FEEDS 5
PRODUCTS LIQUID 6
OPERATING CONDITIONS
DISSOLVER DATA
SLURRY PROPERTIES
PRODUCTS MIXED 4
OPERATING CONDITIONS
TEMPERATURE, F -95.00
PRESSURE, PSIA 16.00
HEAT EXCHANGER DUTY, MM BTU/HR -0.2225
VOLUME, FT3 200.5203
RESIDENCE TIME, HR 0.3367
CRYSTAL PRODUCTION RATE, LB/HR 3981.433
TEMPERATURE CHANGE IN HEAT EXCHANGER, F N/A
SLURRY RECIRCULATION RATE, FT3/HR N/A
AGITATOR RPM 0.000
CRYSTALLIZER DATA
SLURRY PROPERTIES
KINETICS DATA
FEEDS 9
PRODUCTS LIQUID 10
OPERATING CONDITIONS
TEMPERATURE, F 75.00
PRESSURE, PSIA 15.00
PRESSURE DROP, PSI 0.00
DUTY, MM BTU/HR 0.3322
MOLE FRAC VAPOR 0.0000
MOLE FRAC TOTAL LIQUID 1.0000
MOLE FRAC MW SOLID 0.0000
MELTING/FREEZING DATA
DUTY NMP
COMPONENTS MELTED FRACTION MM BTU/HR F
---------------------------------------- -------------------- -------------------- ------------
2 PXYLENE 1.0000 0.2333 55.87
STREAM ID 1 2 3 4
NAME
PHASE LIQUID LIQUID LIQUID MIXED
STREAM ID 5 6 7 8
NAME
PHASE MIXED LIQUID LIQUID MIXED
STREAM ID 15 16 17
NAME
PHASE LIQUID LIQUID LIQUID
2 PXYLENE
PSD, MIC
0.000 - 10.00 4.021E-03 4.021E-03 0.0000 2.407E-05
10.00 - 25.00 0.1056 0.1056 0.0000 1.223E-03
25.00 - 50.00 0.4129 0.4129 0.0000 0.0138
50.00 - 75.00 0.3186 0.3186 0.0000 0.0398
75.00 - 100.0 0.1457 0.1457 0.0000 0.0683
100.0 - 250.0 0.0132 0.0132 0.0000 0.6324
250.0 - 500.0 1.290E-07 1.290E-07 0.0000 0.2410
0.500 - 1.000 E+03 4.390E-18 4.390E-18 0.0000 3.334E-03
1.000 - 5.000 E+03 0.0000 0.0000 0.0000 7.123E-19
5.000 - 10.00 E+03 0.0000 0.0000 0.0000 0.0000
STREAM ID 9
NAME
PHASE MIXED
2 PXYLENE
PSD, MIC
0.000 - 10.00 2.407E-05
10.00 - 25.00 1.223E-03
25.00 - 50.00 0.0138
50.00 - 75.00 0.0398
75.00 - 100.0 0.0683
100.0 - 250.0 0.6324
250.0 - 500.0 0.2410
0.500 - 1.000 E+03 3.334E-03
1.000 - 5.000 E+03 7.123E-19
5.000 - 10.00 E+03 0.0000