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TASK
In this exercise, you will use PRO/II and DATAPREP to create a userdefined component and predict its properties. To demonstrate the accuracy of the predictive methods, we will try to reproduce the properties of
acetone:
O
H3C
CH3
Part B
Supply the Joback structure and use the modified Joback methods within
DATAPREP to estimate all the component properties of acetone (under
a different name) with and without the NBP data.
Part A
Step 1
Click the Component Selection button to open the Component Selection dialog box.
Click User-defined... .
Figure 1 shows the dialog box once you have entered the data.
Figure 1:
Component Selection
User-Defined Dialog
Box
Step 2
Step 3
Step 4
Step 5
Step 6
Place a VALVE on the flowsheet and add two streams, one feed
stream and one product stream.
Select the Most Commonly Used Category, and then select SoaveRedlich-Kwong as the Primary Method.
Click Add -> to add your selection to the Defined Systems box.
Run the simulation by clicking the Run button on the toolbar. Each
unit should turn green and then blue in sequence indicating that it
has solved.
Run the simulation again to see how adding in some known data affects
the predicted properties. Rename the simulation so as not to overwrite
the previous output file.
Step 7
UNIFAC
Molecular Weight
58.080
58.080
58.081
Specific Gravity
0.7099
0.7001
0.79543
321.91
329.44
329.44
500.25
511.95
508.15
4802.5
4802.5
4701.5
Acentric Factor
0.2825
0.28253
0.32869
SOLUTION - In this approach, you use DATAPREP to estimate the component propPart B
Launch DATAPREP.
Press <7> for Property Prediction and <1> for Automatic Property
Generation.
Move the cursor up and down and enter the number of occurrences
of each function group next to the appropriate identification number.
When finished, return to the main menu and use the File Utilities and
Process Simulation options to write the data to a PRO/II keyword
input format.
Again, you can enter specific data, such as the NBP, to increase the
accuracy of the prediction. Table 2 compares the properties predicted
with DATAPREP against published data.
Table 2: Comparison of Properties Predicted with DATAPREP and Published Data
Property
UNIFAC
Molecular Weight
58.080
58.080
58.081
Specific Gravity
0.75338
0.70175
0.79543
321.910
329.44
329.44
500.248
511.95
508.15
4802.500
4802.5
4701.5
Acentric Factor
0.282526
0.28253
0.32869
TASK
Figure 4:
Schematic of Chiller
Plant - Part 1
6
Compressor
C-1
2
4
D-2
Knockout
Drum
5
HX-1
Cooler
Inlet
Gas
D-1
Scrubber
17
P-1
Pump
Component
Mole %
Component
Mole %
Nitrogen
1.0
i-Butane
1.25
Carbon dioxide
1.6
n-Butane
3.0
Methane
72.5
i-Pentane
0.55
Ethane
11.5
n-Pentane
1.10
Propane
6.75
0.75
Total Flowrate
Temperature
120F
50C
Pressure
205 psig
1520 kPa
C6PLUS Properties
NBP
210F
99C
API Gravity
73
Description
Data
D-1
Scrubber
Temperature
Pressure
85F
203 psig
30C
1500 kPa
C-1
Compressor
Outlet Pressure
Adiabatic Efficiency
600 psig
72%
4250 kPa
72%
HX-1
Cooler
110F
5 psi
80F
100F
45C
35 kPa
27C
38C
D-2
Knockout drum
P-1
Pump
Outlet Pressure
Efficiency
550 psig
65%
3900 kPa
65%
SOLUTION
Step 1
Note that several buttons on the toolbar, including the Run button have
red borders. When you have satisfied PRO/II's input requirements all red
borders will disappear.
Step 2
Note that the pointer now has an S attached to it. All available exit ports
appear on each unit once you select Streams . Required exit ports are
red and optional exit ports are green.
After your first click, only the available feed ports are shown in red or
green.
Note:
Although not critical in this example, it is good practice to connect the FLASH DRUM hydrocarbon liquid product to the side
port and to reserve the bottom port for a decanted water or second liquid product.
Double-click on each stream and unit and change its name to that
shown on the diagram above. Do not change any other data in the
dialog box.
Click OK to exit the dialog box. Note that spaces are not allowed in
unit or stream names.
After you finish building the flowsheet, the labels of all the internal
streams are black and the available ports of all the units are green. At this
point, all the unit labels have red borders and the border of the feed
stream label is also red because you must still add data. Note that the
border of Streams is black, indicating that you have entered all necessary data for this function. To exit the stream connection mode, rightclick, or click on Streams so that it turns gray, indicating that the mode
is no longer active.
Step 3
For this example you will use either modified SI units or modified
English units. Click Initialize from Library.... and select ENGLISHSET1 or SI-SET1 from the drop-down list.
Check each item that it matches the input data given in the tables
above.
Notice that the border of the UOM button is now blue indicating that you
have modified the data.
Step 4
Click Petroleum...
C6PLUS.
Figure 6:
Component Selection
Note that Petroleum... and List of Selected Components box now have
blue borders.
Getting Started Workbook
Step 5
Select the Most Commonly Used Category, and then select PengRobinson as the Primary Method.
Click OK in each of the three dialog boxes to save the entered data.
to add your
Figure 7:
Transport Properties
Step 6
10
the dialog box and change the basis to vapor volume and the units to ft3
or m3 and day. Click Change Units to return to the dialog box.
Enter the individual component mole percentages into the component grid. You can move down the list using the <Tab> key. After
entering the composition data, check that the total equals 100.
You do not need to enter data for any streams other than the INLET_GAS
(the external feed stream to the process) because PRO/II calculates the
others for you, based on your process conditions.
Step 7
Double-click on each unit in turn and enter the required data including the unit identifier.
Enter data for flash drum D-1. The First Specification is Pressure
and the Second Specification is Temperature.
Enter data for flash drum D-2. The First Specification is Pressure
Drop and the Second Specification is Duty. The duty of an adiabatic
flash is zero.
Note:
As you return to the PFD after each unit operation, its unit
identifier has changed from red (data missing) to black (data
satisfied).
Note:
By default, the horizontal stream is the hot side and the vertical
stream is the cold side. Here this means that the utility stream
is the cold side. You could use this dialog box to change the
stream allocations if the reverse were true.
Select Hot Product Temperature from the list and enter value.
11
Figure 8:
Heat Exchanger
Specifications
Click the cold side Utility Stream... and enter the appropriate data.
Close the Heat Exchanger dialog boxes and return to the PFD.
Enter pressure and efficiency data for Pump P-1 and Compressor C1.
Figure 9:
Cold Side Utility
Stream
When you have entered all the data, there should not be any red on the
flowsheet. All stream and unit labels should have black borders. If any
of the unit or stream labels has a red border, click on it and check the
data. Save the simulation before continuing.
Step 8
12
Run the simulation by clicking the Run button on the toolbar. Each
unit should turn green and then blue in sequence indicating that it
has solved.
To view your results, highlight PUMP P-1 and click the View Results
button.
Figure 10:
Pump P-1 Results
English UOM
Pump 'P-1'
Feeds
Products
3
17
User Input
----------
Temperature, F
Pressure, PSIG
Pressure Rise, PSI
550.00
Work, HP
Head, FT
Efficiency
65.00
Calculated
---------88.15
550.00
347.00
2.44
1293.94
65.00
Metric UOM
Pump 'P-1'
Feeds
Products
3
17
User Input
----------
Temperature, C
Pressure, KPA
Pressure Rise, KPA
Work, KW
Head, M
Efficiency
Step 9
3900.00
65.00
Calculated
---------31.75
3900.00
2400.00
1.62
395.50
65.00
13
TASK
Continue to build the chiller plant. Since you already entered the units of
measure, components, and feed stream data in Part 1 you won't need to
add these data again. Figure 11 shows the process schematic for this
part. The portion of the flowsheet that you entered in Part 1 is gray, and
the new units and streams you will now add are black.
Figure 11:
Schematic of
Chiller Plant Part 2
10
6
Compressor
C-1
2
4
HX-1
Cooler
D-1
Scrubber
Inlet
Gas
D-2
Knockout
Drum
8
HX-2
Gas/Gas
Exchanger
12
D-3
Cold
Separator
9
HX-3
Propane
Chiller
11
V-1
Valve
13
17
P-1
Pump
The new equipment data and operating conditions are provided below.
Table 5: Equipment Data
SOLUTION
Unit
Description
Data
HX-2
Gas to Gas
Exchanger
Hotside 'P
Coldside 'Pi
Approach Temp (Hot In - Cold Out)
5 psi
5 psi
10F
35 kPa
35 kPa
5C
HX-3
Chiller
-13F
5 psi
-22F
-25C
35 kPa
-30C
D-3
Cold Separator
Adiabatic Separation
V-1
Valve
Outlet Pressure
245 psig
1800 kPa
Use the previous example, CHILL1.PRZ as the basis for this example.
Step 1
14
Select File/Save As... from the menu bar and save the example as
CHILL2.PRZ.
Using Figure 11 as a guide, add units HX-2, HX-3, D-3, and V-1 to
the flowsheet.
Add the remaining streams to the flowsheet. Enter the unit and
stream names. The PFD now looks like Figure 12.
Figure 12:
Chiller Plant in PRO/II
Step 2
In the Heat Exchanger dialog box for HEAT EXCHANGER HX-3 (Chiller),
click Utility Stream... and choose Refrigerant as the Utility Type.
Select Propane from the Component list and enter the saturation temperature.
Note:
At this point there should not be any red borders on the flowsheet. All
stream and unit labels should have black borders. If any of the unit or
stream labels has a red border, double-click on it and check the data.
Step 3
Highlight the cold separator overhead stream 10, click the View
Results button and look at the thermal recycle rate. As you can see,
the stream is all vapor.
Look at the HEAT EXCHANGER summary for HX-3. Find the flowrate of
the refrigerant. You will use this rate as an initial estimate in the Part 3 of
this exercise.
Step 4
15
Figure 13:
Heat Exchanger HX-3
Results
English UOM
OPERATING CONDITIONS
DUTY, MM BTU/HR
LMTD, F
F FACTOR (FT)
MTD, F
U*A, BTU/HR-F
HOT SIDE CONDITIONS
FEED
MIXED PRODUCT
VAPOR, LB-MOL/HR
M LB/HR
CP, BTU/LB-F
LIQUID, LB-MOL/HR
M LB/HR
CP, BTU/LB-F
TOTAL, LB-MOL/HR
M LB/HR
CONDENSATION, LB-MOL/HR
TEMPERATURE, F
PRESSURE, PSIG
COLD SIDE CONDITIONS
REFRIGERANT, LB/HR
SATURATION PRESSURE, PSIG
SATURATION TEMPERATURE, F
6.534
31.835
1.000
31.835
205245.904
INLET
----------8
4102.011
88.249
0.580
250.147
11.943
0.602
4352.158
100.192
55.574
590.000
INLET
----------36843.185
9.620
-22.000
OUTLET
----------9
3460.975
66.131
0.631
891.183
34.061
0.600
4352.158
100.192
641.035
-13.000
585.000
OUTLET
----------36843.185
Metric UOM
OPERATING CONDITIONS
DUTY, M*KJ/HR
LMTD, C
F FACTOR (FT)
MTD, C
U*A, KW/K
HOT SIDE CONDITIONS
FEED
MIXED PRODUCT
VAPOR, KG-MOL/HR
K*KG/HR
CP, KJ/KG-C
LIQUID, KG-MOL/HR
K*KG/HR
CP, KJ/KG-C
TOTAL, KG-MOL/HR
K*KG/HR
CONDENSATION, KG-MOL/HR
TEMPERATURE, C
PRESSURE, KPA
COLD SIDE CONDITIONS
REFRIGERANT, KG/HR
SATURATION PRESSURE, KPA
SATURATION TEMPERATURE, C
,
16
Note:
6.546
17.864
1.000
17.864
101.787
INLET
----------8
1737.399
37.413
2.428
107.456
5.166
2.515
1844.856
42.579
13.748
4180.000
INLET
----------15868.730
167.655
-30.000
OUTLET
----------9
1462.350
27.927
2.646
382.506
14.652
2.510
1844.856
42.579
275.049
-25.000
4145.000
OUTLET
----------15868.730
TASK
Continue to build the chiller plant. Suppose that the refrigerant for the
chiller HX-3 consists of a mixture rather than pure propane. You want to
determine the flowrate of that mixture required to maintain a process
stream (hotside) outlet temperature of -15F (-26C). Instead of using the
HEAT EXCHANGER refrigerant utility in PRO/II, which is designed for use
with single components, you now must introduce a refrigerant stream,
with the correct composition, and use a CONTROLLER to determine the
refrigerant flowrate.
The diagram shows part of the process schematic. The portion of the
flowsheet that you entered previously is gray, and the new units and
streams you will now add are black.
Figure 14:
Schematic of Chiller
Plant - Part 3
10
51
Compressor
C-1
2
4
5
HX-1
Cooler
D-1
Scrubber
Inlet
Gas
D-2
Knockout
Drum
HX-2
Gas/Gas
Exchanger
HX-3
Propane
Chiller
12
50
D-3
Cold
Separator
11
V-1
Valve
13
17
P-1
Pump
CN1
SOLUTION
Step 1
Component
Mole%
Ethane
2.5
Propane
97
i-Butane
0.5
Pressure
11.5 psig
Condition
Bubble Point
180 kPa
Use the previous example, CHILL2.PRZ, as the basis for this example and
save the example as CHILL3.PRZ.
Change the Flowsheet Configuration
Remove the utility stream on HEAT EXCHANGER HX-3 by doubleclicking on the unit and deactivating the check box for the utility
stream.
Add inlet and outlet streams to the cold side of HX-3. Name the inlet
stream 50 and the outlet stream 51.
Figure 15:
Chiller Plant PFD in
PRO/II
Step 2
Enter the composition data and define the thermal conditions for
stream 50.
Step 3
Use the propane refrigerant rate from the previous example as the
initial flowrate for this stream.
Double-click on the
box appears.
CONTROLLER.
18
Click on Parameter.
HEAT EXCHANGER
HX-3
Click on Parameter.
When complete, the Feedback Controller dialog box looks like Figure
16.
Figure 16:
Completed Feedback
Controller Dialog Box
Step 4
TABLE
A portion of this table is shown below. Compare the quantity of refrigerant required to that obtained in the previous example. Why are the
results different?
Step 5
19
Figure 17:
Refrigerant Stream
Results
20
English UOM
Metric UOM
TASK
Figure 18:
Schematic of Chiller
Plant Part 4
14
D-2
Knockout
Drum
Compressor
C-1
2
Inlet
Gas
1
13
10
16
C-2
Compressor
Pipeline
Gas
18
M-2
Mixer
D-3
HX-2
Gas/Gas
Exchanger
HX-1
Cooler
D-1
Scrubber
Cold
Separator
HX-3
Propane
Chiller
T-1
Stabilizer
11
V-1
Valve
12
15
3
M-1
Mixer
17
P-1
Pump
19
Natural Gas
Liquids (NGL)
22
55%
Feed Location
Tray 1
200 psig
1480 kPa
Column 'P
2.5 psi
17 kPa
235 psig
1720 kPa
Outlet Pressure
600 psig
4240 kPa
Adiabatic Efficiency
73%
Compressor C-2
SOLUTION
Step 1
Use the previous example, CHILL3.PRZ, as the basis for this example and
save the example as CHILL4.PRZ.
Add to the Process Flow Diagram
Place a COMPRESSOR, two MIXERs and a COLUMN on the PFD. Connect the streams as shown in Figure 18. Name the units and streams.
21
When you place the column, you will be asked to give the number of
theoretical trays and to state whether the column has a condenser and a
reboiler. Note that the Table 7 gives actual trays and tray efficiency.
From this you must calculate the number of theoretical trays in the body
of the column (22*55% = 12 stages). The kettle reboiler is simulated as a
theoretical stage and thus is stage 13. This column has no condenser.
When complete, the PFD should look similar to Figure 19.
Figure 19:
Complete Chiller Plant
in PRO/II
Step 2
Click Pressure Profile... and enter the Top Tray Pressure and the
Pressure Drop for the entire Column.
Click Feeds and Products... to set the feed tray number. Check that
the default entry for the Phase of each Product is correct.
Estimate the rate of the overhead product. You can make a good guess
from the results of the previous run. You could also use the Define procedure, assuming that the overhead stream consists of all the Nitrogen
through Methane from the column feed (Figure 20).
Figure 20:
Overhead Flowrate
Definition
22
Figure 21:
Bottoms True Vapor
Pressure
Specification
Step 3
Step 4
Highlight the COLUMN and click the View Results button. Find the
reboiler duty required to meet the liquid product specification.
Select Output/Generate Plot... from the menu bar to plot an overview of the temperature and flowrates, as shown in Figure 22 below.
23
Figure 22:
Column
T-1 Profiles
24
TASK
Suppose that a nearby refinery has been shut down and some columns
are available at bargain prices. Your company is exploring a joint venture with the Royal Gas Company to build a fractionation plant as shown
in Figure 23 to process the liquids from your chiller plant and their plant.
Figure 23:
Light Ends
Fractionation Plant
C2
21
24
C3
19
20
V-2
T-3S
Depropanizer
T-2S
Deethanizer
23
60
Royal
Liquids
22
C4s
T-4S
Debutanizer
26
Gasoline
25
V-3
27
28
V-4
You have been asked to provide a quick design for such a plant. To save
time, you want to perform a shortcut analysis. SHORTCUT COLUMNs are
unsupported in PROVISION. However, using keyword input files you
can run the problem in either Run Batch or Run-Only mode. Use the
keyword input file, CHILL5.INP, found in the TRAINING directory, to
determine the number of theoretical trays, feed locations, and approximate reflux ratios for the three distillation columns.
SOLUTION
Step 1
Select Import... from the File menu. Import the keyword input file
from the TRAINING directory.
CHILL5.INP
25
Step 2
Figure 24:
Shortcut Column
Summaries
FEED
TRAY
---9
11
13
14
16
2.08175
1.40594
12.14568
2.00 * M-MINIMUM
R/R-MIN
M/M-MIN
------1.975
1.467
1.284
1.163
1.077
------1.500
1.750
2.000
2.250
2.500
REFLUX
RATIO
-----4.111
3.053
2.673
2.420
2.243
DUTY, MM
CONDENSER
----------4.024E+00
-2.989E+00
-2.616E+00
-2.369E+00
-2.196E+00
BTU/HR
REBOILER
---------1.022E+01
9.182E+00
8.810E+00
8.563E+00
8.389E+00
FEED
TRAY
---8
10
11
13
14
2.30152
0.68238
11.62363
2.00 * M-MINIMUM
R/R-MIN
M/M-MIN
------1.950
1.454
1.277
1.159
1.075
------1.500
1.750
2.000
2.250
2.500
REFLUX
RATIO
-----4.487
3.347
2.939
2.668
2.475
DUTY, MM
CONDENSER
----------1.238E+01
-9.810E+00
-8.888E+00
-8.277E+00
-7.842E+00
BTU/HR
REBOILER
---------1.084E+01
8.265E+00
7.343E+00
6.732E+00
6.297E+00
26
FEED
TRAY
---10
12
14
16
17
1.22993
0.69529
12.92601
2.00 * M-MINIMUM
R/R-MIN
M/M-MIN
------2.185
1.568
1.344
1.196
1.094
------1.500
1.750
2.000
2.250
2.500
REFLUX
RATIO
-----2.688
1.928
1.653
1.471
1.346
DUTY, MM
CONDENSER
----------1.116E+01
-8.861E+00
-8.030E+00
-7.479E+00
-7.099E+00
BTU/HR
REBOILER
---------9.679E+00
7.381E+00
6.550E+00
5.999E+00
5.618E+00
TASK
Use the shortcut results from Part 5 to set up a rigorous simulation of the
light ends fractionation plant shown in Figure 25. Begin with the flowsheet built in Part 4, or create a new flowsheet and provide the feed data
given below. Size each column for valve trays through the Tray Hydraulics dialog box. Use the I/O distillation algorithm for the calculations and
choose Conventional as the initial estimate method. Vary the column
duties to meet the specifications given in Table 10.
Figure 25:
Light Ends
Fractionation Plant
C2
21
24
C3
19
20
V-2
T-3S
Depropanizer
T-2S
Deethanizer
23
60
Royal
Liquids
22
C4s
27
T-4S
Debutanizer
26
Gasoline
25
V-3
28
V-4
Component
Nitrogen
0.0454
0.1
Carbon dioxide
0.8165
1.8
Methane
1.8144
4.0
Ethane
56.699
125.0
Propane
99.7902
220.0
i-Butane
35.3802
78.0
n-Butane
68.0388
150.0
i-Pentane
4.5359
10.0
n-Pentane
21.7724
48.0
13.6078
98.9 C
0.6919 sp gravity
30.0
210 F
73 API
Temperature
37.8 C
100 F
Pressure
4238 KPa
550 psig
27
T-3
T-4
Type
Partial
Subcooled
Subcooled
Pressure (psig)
410
240
100
Temperature (F)
---
110
110
415
245
105
24
23
26
Condenser Data
Pressure Data
13
11
14
Reflux ratio
2.673
2.940
1.653
271.7
414.1
390.7
2 mol %
0.025
Depropanizer T-3:
C4s in overhead product
2 mol %
C3 in bottom product
2 mol %
Debutanizer T-4:
IC5 in overhead product
0.25 vol %
1 vol %
SOLUTION
Unit
Valve V-2
425
Valve V-3
260
Valve V-4
130
Use the previous example, CHILL4.PRZ, as the basis for this example and
save the example as CHILL6.PRZ. Build the flowsheet continually and
run the simulation.
Compare the duties and overhead product rates determined in this exercise with those from the shortcut calculation done in Part 5. The overhead rate estimates from the shortcut calculation were quite good, but
the duty estimates were more approximate.
28
Plot the liquid and vapor fractions of ethane and propane in column T-2
on a single plot. For column T-3, plot the separation factor of the light
and heavy components. For column T-4, plot the overview of the temperature and flowrates.
Figure 26:
Mole Fractions of
Ethane and Propane
in Column T-2
Figure 27:
Separation Factor in
Column T-3
29
Figure 28:
Overall Temperature
and Flowrate Profiles
in Column T-4
30
Gas Cooling
#
TASK
Solve the flowsheet, shown in Figure 29, for all process conditions and
flowrates. Solve it first with a recycle loop and then break the loop using
a reference stream (Figure 30). Compare the calculation histories in both
runs. Determine the number of iterations it takes to run with the recycle
in place and how many it takes to run with the broken recycle.
Figure 29:
Gas Cooling
Flowsheet with
Recycle
Figure 30:
Gas Cooling
Flowsheet with
Broken Recycle
Component
Mole Percent
Carbon Dioxide
1.39
Methane
85.92
Ethane
7.73
Propane
2.45
i-Butane
0.36
n-Butane
0.56
i-Pentane
0.21
n-Pentane
0.26
n-Hexane
1.12
Pressure
3600 psia
24820 kPa
Temperature
150F
66C
Flowrate
31
SOLUTION
Figure 31:
Stream Molar
Component Rates
Heat Exchangers:
5 psi
15F
-20F
35 kPa
8C
-29C
Valves:
'P across V1
'P across V2
1600 psi
900 psi
11030 kPa
6205 kPa
Flash Drum:
Adiabatic
Reference Stream:
Temperature
Pressure
-20F
1090 psi
-29C
7515 kPa
The original flowsheet requires three iterations to converge and the broken-recycle version converges without iterating. Figure 31 contains a
portion of the output for the broken-recycle flowsheet.
English UOM
STREAM ID
NAME
PHASE
5X
MIXED
MIXED
VAPOR
LIQUID
13.9000
859.2000
77.3000
24.5000
3.6000
5.6000
2.1000
2.6000
11.2000
13.9000
859.2000
77.3000
24.5000
3.6000
5.6000
2.1000
2.6000
11.2000
12.3398
812.3919
63.1335
15.8709
1.7665
2.3734
0.5862
0.6487
1.3286
1.5602
46.8081
14.1665
8.6291
1.8335
3.2266
1.5138
1.9513
9.8714
1000.0000
1000.0000
910.4396
89.5604
TEMPERATURE, F
PRESSURE, PSIA
ENTHALPY, MM BTU/HR
MOLECULAR WEIGHT
MOLE FRAC VAPOR
MOLE FRAC LIQUID
-20.0000
1090.0000
-0.0177
19.6397
0.9104
0.0896
-20.0000
1090.0000
-0.0177
19.6397
0.9104
0.0896
-20.0000
1090.0000
0.0913
18.2536
1.0000
0.0000
-20.0000
1090.0000
-0.1090
33.7306
0.0000
1.0000
FLUID
1
2
3
4
5
6
7
8
9
RATES, LB-MOL/HR
CO2
METHANE
ETHANE
PROPANE
IBUTANE
BUTANE
IPENTANE
PENTANE
HEXANE
Metric UOM
STREAM ID
NAME
PHASE
FLUID
1
2
3
4
5
6
7
8
9
TEMPERATURE, C
PRESSURE, KPA
ENTHALPY, M*KCAL/HR
MOLECULAR WEIGHT
MOLE FRAC VAPOR
MOLE FRAC LIQUID
5X
MIXED
MIXED
VAPOR
LIQUID
6.3245
390.9360
35.1715
11.1475
1.6380
2.5480
0.9555
1.1830
5.0960
6.3245
390.9360
35.1715
11.1475
1.6380
2.5480
0.9555
1.1830
5.0960
5.6107
369.5078
28.6959
7.2080
0.8018
1.0770
0.2659
0.2942
0.6025
0.7138
21.4282
6.4756
3.9395
0.8362
1.4710
0.6896
0.8888
4.4935
455.0000
455.0000
414.0639
40.9362
-29.0000
515.0000
-5.5392E-03
19.6397
0.9100
0.0900
-29.0000
7515.0000
5.5392E-03
19.6397
0.9100
0.0900
-29.0000
7515.0000
0.0222
18.2513
1.0000
0.0000
-29.0000
7515.0000
-0.0278
33.6831
0.0000
1.0000
RATES, KG-MOL/HR
CO2
METHANE
ETHANE
PROPANE
IBUTANE
BUTANE
IPENTANE
PENTANE
HEXANE
32
Gas Cooling
MEK/Toluene Preheat
#
TASK
The process shown in Figure 32 preheats a stream that is fed to a distillation column. The flash drum vaporizes 40 mole percent of the feed, and
the heat exchanger further heats the flash drum liquid. Both the flash
drum and heat exchanger have 1 psi (6.9 kPa) pressure drops. A total of
1.0 MM Btu/hr (1.05 MM kJ/hr) is available to the process.
Find the liquid fraction and temperature of the PROD stream and the two
duties.
Table 13 shows the feed composition and condition. Use the NRTL thermodynamic system, but replace its default vapor enthalpy and vapor
density methods with SRKM.
Figure 32:
Preheat Process
Vapor
Feed
FD
HX
Prod
Mole %
Toluene
80
19
Water
Flowrate
100 lb-mol/hr
45 kg-mol/hr
Pressure
20 psia
138 kPa
Temperature
190F
88C
Hint:
33
SOLUTION
To vaporize 40% of the flash drum feed, use the following stream specification:
34
English Units
Metric Units
Flash Duty
0.7353 MM Btu/hr
0.7680 M kJ/hr
0.2650 MM Btu/hr
0.2970 M kJ/hr
PROD Temperature
233.96F
112.35C
0.6844
0.6619
MEK/Toluene Preheat
TASK
How do the results vary with respect to the water solubility correlations?
Rate
(lb moles/hr)
Petroleum
Components
Rate
(lb moles/hr)
Water
3000
Cut 11
165
Carbon Dioxide
35
Cut 12
303
Nitrogen
30
Cut 13
560
Methane
890
Cut 14
930
Ethane
300
Cut 15
300
Propane
520
i-Butane
105
n-Butane
283
i-Pentane
100
n-Pentane
133
Temperature
150F
Pressure
1000 psia
Fraction
Molecular Wt.
API Gravity
NBP(F)
Cut 11
91
64
180
Cut 12
100
61
210
Cut 13
120
55
280
Cut 14
150
48
370
Cut 15
200
40
495
35
SOLUTION
Defining four thermodynamic sets allows PRO/II to flash the feed isothermally four times within one simulation run.
Figure 33 shows the Flash Drum Summary, which only reports the water
decant flashes. There are three FLASH DRUMs, one for each of the solubility correlations: SIMSCI, KEROSENE, and EOS. PRO/II reports the total
liquid mole fraction and breaks down the liquid phases into the liquid
hydrocarbon phase and the free water phase. Note that PRO/II provides
this type of report only when you invoke the water decant option for a
hydrocarbon-water system. You can observe that the three solubility
methods produce very similar results for this problem.
The K-value printout for the first FLASH unit (DCNT-SIMSCI) follows the
standard Flash Drum Summary. This report gives the vapor and liquid
mole fractions and the K-value for each component, providing you with
information about the relative volatilities of the components of the products. If you choose to lump the vapor and liquid phases into one product,
you can obtain the relative compositions of the different phases in the
product.
Figure 33:
Flash Drum Summary
with K-Value Report
FLASH ID
DCNT-SIMSCI
DECANT-KERO
DECANT-EOS
NAME
FEEDS
CRUDE
CRUDE_R2
CRUDE_R1
1V
1L
1W
2V
2L
2W
3V
3L
3W
300.000
300.000
700.000
0.33552
0.66448
0.35887
0.30561
59.02614
ISOTHERMAL
300.000
300.000
700.000
0.33467
0.66533
0.36147
0.30386
58.96749
ISOTHERMAL
300.000
300.000
700.000
0.34579
0.65421
0.35919
0.29502
60.00998
ISOTHERMAL
PRODUCTS VAPOR
LIQUID
WATER
TEMPERATURE, F
PRESSURE, PSIA
PRESSURE DROP, PSI
MOLE FRAC VAPOR
MOLE FRAC TOTAL LIQUID
MOLE FRAC H/C LIQUID
MOLE FRAC FREE WATER
DUTY, MM BTU/HR
FLASH TYPE
36
VAPOR
---------0.22197
0.01219
0.01127
0.32055
0.09736
0.14613
0.02518
0.06314
0.01754
0.02171
0.01434
0.02020
0.01813
0.00981
4.8360E-04
LIQUID
---------0.03308
0.00135
3.8836E-04
0.02432
0.01819
0.05268
0.01468
0.04399
0.02001
0.02812
0.04666
0.09143
0.18693
0.32940
0.10877
K-VALUE
---------6.7112E+00
9.0594E+00
2.9011E+01
1.3183E+01
5.3508E+00
2.7737E+00
1.7148E+00
1.4352E+00
8.7627E-01
7.7196E-01
3.0732E-01
2.2090E-01
9.6967E-02
2.9796E-02
4.4463E-03
Figure 34 shows the three-phase Flash Drum Summary from the output
report. Note that this summary only reports the rigorous VLLE FLASH
units. If you invoke the VLLE option for a FLASH, but only one liquid
phase exists, then PRO/II provides the results in the standard Flash
Drum Summary. The results for the rigorous three-phase FLASH are very
similar to those in Figure 33. The vapor and liquid mole fractions for
each component in the three product phases are at the end of the standard
three-phase Flash Drum Summary. PRO/II uses these results to calculate
the two sets of K-values. You can obtain a set of LLE K-values by dividing the second set of VLE K-values by the first.
Figure 34:
Three-Phase Flash
Drum Summary with
K-Value Report
FLASH ID
NAME
FEEDS
RIG-SRKKD
CRUDE_R3
PRODUCTS VAPOR
LIQUID 1
LIQUID 2
TEMPERATURE, F
PRESSURE, PSIA
PRESSURE DROP, PSI
MOLE FRAC VAPOR
MOLE FRAC TOTAL LIQUID
MOLE FRAC LIQUID 1
MOLE FRAC LIQUID 2
DUTY, MM BTU/HR
FLASH TYPE
4V
4L
4W
300.000
300.000
700.000
0.34778
0.65222
0.36325
0.28897
61.47417
ISOTHERMAL
NC5
CUT11
CUT12
CUT13
CUT14
CUT15
COMPONENT
------------------1 WATER
2 CO2
3 N2
4 C1
5 C2
6 C3
7 IC4
8 NC4
9 IC5
10 NC5
11 CUT11
12 CUT12
13 CUT13
14 CUT14
15 CUT15
0.02693
0.04520
0.08885
0.18291
0.32417
0.10737
3.2412E-06
5.6747E-06
5.4152E-06
1.4512E-06
9.1229E-08
5.4406E-11
37
Table 17 compares the different product flowrates for each of the four
flash types. Note that PRO/II breaks down the two liquid phases into
hydrocarbon and water content. For this example the second liquid
(water) phase contains only 0.04 mol % (0.9/2211.7) of hydrocarbon.
All three solubility correlations give similar results for the total flowrate
of each product. The rigorous three-phase FLASH with SRKKD thermodynamics results in significantly more water in the hydrocarbon phase
and thus less water in the water-dominated phase, than any of the three
VLE FLASH units with water decant.
Table 17: Comparison of VLE and VLLE Flash Results
Flowrate
(lb-mol/hr)
SIMSCI
KEROSENE
EOS
RIGOROUS
Vapor
2568.1
2561.6
2646.7
2661.9
Liquid 1
Hydrocarbon
Water
2746.8
2655.9
90.9
2766.7
2661.1
105.6
2749.2
2626.0
123.2
2780.5
2624.4
156.1
Liquid 2
Water
Hydrocarbon
2339.1
2339.1
0.0
2325.8
2325.8
0.0
2258.1
2258.1
0.0
2211.6
2210.8
0.8
38
TASK
Enter the assay data for the naphtha feed described below and generate a
set of petroleum components. Also create a plot of the calculated TBP
curve and component cuts. The light ends make up 5% of the total liquid
volume. Use SRK thermodynamics with API liquid density to model the
system.
To represent the boiling curve more closely, increase the number of
pseudocomponents by using twenty-one 18F (10C) cuts from 80F to
460F (30C to 240C). The process data is given in Table 18.
Table 18: Naphtha Feed Data
ASTM D86 Data
SOLUTION
Step 1
Light Ends
LV%
T(F)
T(C)
Component
Mole %
90
32
isobutane
0.70
125
52
butane
2.15
10
195
90
isopentane
0.86
30
250
121
pentane
3.58
50
280
138
70
310
154
Total
5% liq. volume
90
390
199
95
418
214
98
430
221
Flowrate
1000 lb/hr
450 kg/hr
Temperature
100F
38C
Pressure
1 atm
54.2
0.762
Build the flowsheet and enter the UOM, components, and thermodynamic data, as usual.
Modify the Assay Characterization Data
To represent the boiling curve more closely, you must increase the number of pseudocomponents by using twenty-one 18F (10C) cuts from
80F to 460F (30C to 240C).
39
Step 2
Add a stream into the flowsheet and double-click on the stream and
select Petroleum Assay as the Stream Type.
Choose ASTM D86 and enter the distillation data in the grid. You
can use the <Tab> key to move from cell to cell in the grid.
40
Back in the Stream Data dialog box, enter Temperature and Pressure values. Click OK to return to the flowsheet.
To view the list of pseudocomponents, open the Component Selection dialog box.
To look at the petroleum property data generated for the pseudocomponents, generate an output report and view it.
41
Figure 37:
Component Summary
Figure 38:
Assay Processing
Plot
Step 4
42
TASK
In this exercise you will use the assay stream you created in NAPHTH1
and manipulate it using two flash drums. The first flash drum predicts
the temperature at which 80% of the feed is recovered in the vapor. The
second flash drum predicts the quantity of liquid that drops out when a
temperature drop is imposed on that vapor.
Table 19: Equipment Data and Operating Conditions
SOLUTION
Step 1
Unit
Description
Data
D-1
Flash drum
D-2
Flash drum
Add two flash drums to the flowsheet and connect, as shown below.
Figure 39:
PRO/II Flowsheet
Step 2
43
Because the feed temperature of flash F2 is unknown until the first flash
has executed, you cannot enter an absolute value at this time. You can,
however, enter a relative value, as shown below.
Step 3
Figure 40:
Short Property Table
Step 4
44
TASK
Using the assay stream and flashes from NAPHTH2, you will now examine the effects of varying the vapor/liquid split in the first flash drum on
the duty of the second flash drum. Run cases at vapor fractions from
80% (the base case) to 40% in 10% increments.
SOLUTION
Step 1
Click the Case Study button on the toolbar to open the Case Study
Parameters and Results dialog box.
Select Flash from the Unit/Stream list, F1 from the Unit Name list.
In the first row of the Result field, click Parameter and select Flash
F2 Duty.
45
Step 2
Step 3
Select Output/Case Study from the menu bar and then Tables from
the submenu to open the Case Study Tables dialog box.
Move the variables you want to appear in the table from the Available Variables list to the Selected Variables list.
Figure 42:
Case Study Results in
a Tabular Format
Step 4
46
Select Output/Case Study from the menu bar and then Plots from the
submenu to open the Case Study Plots dialog box.
Figure 43:
Case Study - Plot
Definition Dialog Box
Figure 44:
F2 Duty as a Function
of F2 Liquid/Vapor
Ratio
Step 5
47
Phase Envelope
#
TASK
Figure 45:
Petroleum Recovery
from a Deep Gas Well
Gas
T = 150F
P = 2500 psia
48
Component
Mole %
C1
82
C2
C3
IC4
NC4
Flowrate
100 lb-mole/hr
45 kg-mole/hr
Pressure
2500 psia
17240 kPa
Temperature
150F
66C
Phase Envelope
You want to examine the characteristics of the gas in the receiving vessel so that you can make a decision about the pressure required to maximize the amount of liquid condensed.
Generate a phase envelope plot for the feed stream. Also generate lines
of constant liquid mole fraction at 5%, 10% and 15%.
At an ambient temperature of 50F (10C), what pressure will be needed
to maximize the production of liquid?
SOLUTION
Figure 46:
Phase Envelope, PH1
49
Compressor Curves
#
TASK
Figure 47:
Refrigeration Loop
Flowsheet
Compressor
4
7
Surge
2
1
Valve
Separator
Cooler
Vaporizor
Mole%
Ethane
1.04
Propane
96.94
i-Butane
1.68
n-Butane
0.34
Total Flowrate
16500 lb-mol/hr
7485 kg-mol/hr
Temperature
15.5F
-9.2C
Pressure
315 psia
2172 kPa
50
Unit
Data
Valve
Outlet pressure
87 psia
600 kPa
2.11x106 kJ/hr
30 kPa
Cooler
Separator
Vaporizer
Coldside:
Pressure drop
Surge
65 psia
Compressor
Curves
(ft3/hr)
Flowrate
(m3/hr)
2x10 BTU/hr
4.4 psi
(ft)
450 kPa
Actual Head
(m)
Adiabatic
Efficiency
900000
25485
38000
11582
69
1000000
28317
37000
11278
71
1240000
35113
35300
10760
72
1360000
38511
33100
10089
73
1430000
40493
27250
8306
71
Compressor Curves
SOLUTION
Name the units and streams so that the flowsheet looks like Figure 48.
Figure 48:
Modified Flowsheet
4
7
1
C1
2
M1
V1
H2
6
5
H3
In the Compressor dialog box, select Actual Head Curve and click
Enter Curve... . Enter the table of Volumetric Flowrate against Head
and click OK . Select Single Adiabatic Efficiency Curve from the Efficiency or Temperature Specification list and enter the efficiency data.
Figure 49:
Compressor C1
Results
English Units
User Input
---------Outlet Temperature, F
Outlet Pressure, PSIA
Pressure Increase, PSI
Actual Work, HP
Head, FT
Adiabatic Efficiency
Polytropic Efficiency
Calculated
---------182.39
321.54
256.54
13099.77
35525.17
71.89
75.26
Metric Units
User Input
---------Outlet Temperature, C
Outlet Pressure, KPA
Pressure Increase, KPA
Actual Work, KW
Head, M
Adiabatic Efficiency
Polytropic Efficiency
Calculated
---------83.55
2216.81
1768.65
9769.40
10828.02
71.89
75.26
51
Debutanizer
#
TASK
A debutanizer removes C4 and lighter components from a mixed Naphtha and LPG feed stream. The Naphtha feed has been changed and you
must ensure that the column can still meet the process requirements such
as product recoveries and column duties.
Figure 50:
Debutanizer Process
OVHD
Naphtha
338F
LPG
15
270 psia
32
BTMS
All the data required for this simulation are summarized in the tables
below.
Table 23: LPG Feed Data
52
Component
Mole %
H2
0.3
H2S
0.2
C1
0.7
C2
5.5
C3
28.5
IC4
11.7
NC4
49.0
IC5
4.1
Temperature
104F
40C
Pressure
270 psia
1860 kPa
Flowrate
400 ft3/hr
11.3 m3/hr
Debutanizer
Temperature
(C)
104
40
144
62
10
158
70
30
196
91
50
228
109
70
248
120
90
284
140
95
311
155
100
329
165
Liquid Volume %
C3
0.07
IC4
0.21
NC4
0.42
IC5
3.24
NC5
6.06
104F
40C
Pressure
270 psia
1860 kPa
Flowrate
3200 ft3/hr
90 m3/hr
338F
Condenser Type
Bubble Point
170C
Condenser Pressure
185 psia
1275 kPa
190 psia
1310 kPa
4.3 psi
30 kPa
Reboiler Type
Kettle
The VLE and enthalpies of natural gas systems are generally modeled
well by equations of state such as Peng-Robinson or Soave-RedlichKwong. However, these methods are less good at predicting liquid density so a different method, such as COSTALD or API, should be used.
Hint:
Use the Define feature to set the overhead rate from the column as all the C4 and lighter components in the column feed.
53
SOLUTION
Metric
Condenser
-11.8808 Btu/hr
-12.2126 kJ/hr
Reboiler
16.7205 Btu/hr
17.2770 kJ/hr
4.4086
4.2643
Duties (x
106)
Reflux Ratio
54
Debutanizer
TASK
Part A
Part B
Using the fouling results from Part A, rate the existing fouled exchanger
for the increased throughput.
The flowsheet, stream and process data are provided below.
Figure 51:
Schematic of a
Rigorous Heat
Exchanger
BT1
FD1
EA1
FD2
BT2
Component
FD1 Mole %
BT1 Mole %
NC4
15
IC5
14
15
NC5
16
16
NC6
22
25
NC7
13
15
NC8
20
25
Temperature
70F
220F
Pressure
195 psia
135 psia
Current Flowrate
550000 lb/hr
500000 lb/hr
Increased Flowrate
606000 lb/hr
660000 lb/hr
55
56
SOLUTION
Part A
Click each button and enter the appropriate data. Fields outlined in
green means that, if you do not enter a value, PRO/II calculates one.
In the Film Coefficients dialog box, set the tubing fouling resistance
to 0.
Click Print Options... to check the Extended box to request an additional data sheet with information about stream properties, heat
exchanger configuration and hydrodynamics.
Run the simulation and view the results. Make a note of the required
shellside fouling resistance.
57
Figure 52:
Heat Exchanger
Results
- Part A
Part B
58
Using the fouling results you have just calculated, rate the existing
fouled exchanger for the increased throughput.
Click Film Coefficients... , and enter the new value for the shellside
fouling resistance calculated in Part A.
In the Rigorous Heat Exchanger main dialog box, change the Calculation Type to Rating (Predictive).
Run the simulation and view the results. Note the tubeside and shellside exit temperatures.
Figure 53:
Heat Exchanger
Results
- Part B
59
TASK
Figure 54:
Two Stage
Compressor
Flowsheet
C-1
S2
Feed
S1
S5
S6
HX-1
D-1
Vapor
C-2
S4
D-2
S8
S9
HX-2
S10
D-3
100F
70 psia
S3
S7
S11
Liquids
60
Flowrate
(lb-mol/hr)
(kg-mol/hr)
Nitrogen
400
180
Carbon dioxide
4230
1920
Methane
32000
14520
Ethane
20000
9070
Propane
16000
7260
i-Butane
1700
770
n-Butane
6200
2810
i-Pentane
2100
950
n-Pentane
3600
1630
n-Hexane
3400
1540
7000
3180
Temperature
100F
40C
Pressure
70 psia
5 bar
170 psia
12 bar
Adiabatic Efficiency
74%
74%
Compressor C-2
Outlet Pressure
380 psia
26 bar
Adiabatic Efficiency
72%
72%
Exit Temperature
135F
60C
Pressure Drop
5 psi
0.35 bar
Exit Temperature
135F
60C
Pressure Drop
5 psi
0.35 bar
Part A
Part B
SOLUTION
Part A
The actual work is 43808 HP (32456 kW) for C-1 and 42804 HP (30893
kW) for C-2.
The temperatures entering the aftercooler are shown on the compressor
output and on the stream results. They are 196.5F (93.3C) for C-1 and
214.9F (103.7C) for C-2.
The aftercooler duties are 80.1x106 Btu/hr (82.9x106 kJ/hr) for HX-1
and 153.9x106 Btu/hr (152.6x106 kJ/hr) for HX-2.
61
Figure 54 shows the stream summaries for the liquid outlet stream, S3,
and the vapor outlet stream, S10.
Figure 55:
Stream Summary for
Streams S3 and S10
English Units
STREAM 'S3'
STREAM 'S10'
TOTAL
TOTAL
RATE, LB-MOL/HR
TEMPERATURE, F
PRESSURE, PSIA
MOLAR
1 2 3 4 5 6 7 8 9 10 11 -
---------15629.9004
98.66
70.00
FLOWRATES, LB-MOL/HR
N2
0.5471
CO2
45.8175
C1
141.4767
C2
486.4024
C3
1178.3664
IC4
273.1566
NC4
1308.8244
IC5
847.2167
NC5
1682.4803
NC6
2667.2460
NC9
6998.3663
RATE, LB-MOL/HR
TEMPERATURE, F
PRESSURE, PSIA
MOLAR
1 2 3 4 5 6 7 8 9 10 11 -
---------80988.7220
135.00
375.00
FLOWRATES, LB-MOL/HR
N2
399.4505
CO2
4184.0733
C1
31858.0695
C2
19512.5552
C3
14819.5615
IC4
1426.3681
NC4
4889.0529
IC5
1251.3970
NC5
1915.0068
NC6
731.0926
NC9
2.0944
Metric Units
STREAM 'S3'
STREAM 'S10'
TOTAL
TOTAL
RATE, KG-MOL/HR
TEMPERATURE, C
PRESSURE, BAR
MOLAR
1 2 3 4 5 6 7 8 9 10 11 -
Part B
---------6929.9789
40.00
5.00
FLOWRATES, KG-MOL/HR
NITROGEN
0.2451
CO2
20.1492
METHANE
63.1166
ETHANE
211.7885
PROPANE
505.7845
IBUTANE
115.6366
NBUTANE
552.4385
IPENTANE
354.3091
PENTANE
704.4548
HEXANE
1124.4488
NC9
3177.6072
RATE, KG-MOL/HR
TEMPERATURE, C
PRESSURE, BAR
---------36995.6775
60.00
25.65
1. The heat exchangers are not required. You could omit these and use
the aftercooler option on the compressor. All the information
requested is still available.
2. If you only need the product stream information, compressor C-2
(and its aftercooler) may be removed. Set the flash D-3 to the conditions leaving the aftercooler and the products will be identical. You
cannot remove C-1 as the temperature of D-2 is unknown. Liquid
from D-3 is flashed into the drum and reduces the temperature below
the aftercooler exit temperature. However, to simplify the flowsheet,
C-1 and its aftercooler could be replaced by a flash drum.
62
TASK
In a propylene chlorination plant, chlorine reacts with propylene to produce allyl chloride, 1,2-dichloropropane, 1,3-dichloropropene and
hydrogen chloride. The reaction takes place at 800F (425C) and 70
psia (5 kg/cm2) in a homogeneous gas phase reactor and the resulting
products are separated in a fractionation section. Most of the unreacted
propylene is recycled back to the reactor. The reactor volume is 10 ft3
(0.3 m3). For a product flowrate estimate, lets assume that nearly all the
chlorine is converted, i.e., Cl2 in S13 = 1% CL2 flowrate.
Figure 56:
Propylene
Chlorination Reactor
PRPL
PROD
CL2
CST1
The flowsheet, stream and process data are shown below. Use SoaveRedlich-Kwong thermodynamics with Costald liquid densities.
Table 30: Feed Stream Data
PRPL
Composition
CL2
100% proplylene
100% chlorine
Flowrate
100 kg-moles/hr
250 lb-moles/hr
115 kg-moles/hr
Temperature
59F
15C
79F
26C
100 psia
7 kg/cm2
Pressure
200 psia
14
kg/cm2
Rate Equation
Cl 2 + C 3 H 6 o C 3 H 5 Cl + HCl
12 27009.6
Rate = 3.36 u 10 e ---------------------- C Cl C C H
RT
2
3 6
Cl 2 + C 3 H 6 o C 3 H 6 Cl 2
8 6811.98
Rate = 1.91 u 10 e ---------------------- C Cl C C H
RT
2
3 6
Cl 2 + C 3 H 5 Cl o C 3 H 4 Cl 2 + HCl
15 42300
Rate = 7.51 u 10 e ------------------ C Cl C C H Cl
RT
2
3 5
63
Rate Equation
Cl 2 + C 3 H 6 o C 3 H 5 Cl + HCl
11 15005.4
Rate = 2.1 u 10 e ---------------------- C Cl C C H
RT
2
3 6
Cl 2 + C 3 H 6 o C 3 H 6 Cl 2
7 3784.45
Rate = 1.19 u 10 e ---------------------- C Cl C C H
RT
2
3 6
Cl 2 + C 3 H 5 Cl o C 3 H 4 Cl 2 + HCl
14 23500.1
Rate = 4.69 u 10 e ---------------------- C Cl C C H Cl
RT
2
3 5
SOLUTION
Step 1
Build the flowsheet and enter the UOM, components, and thermodynamic data, as usual.
Enter Reaction Data
In the Reaction Data dialog box, enter a Reaction Set Name and
click Enter Data... . The Reaction Definitions dialog box appears.
There are three reactions. In the first row of the grid, enter a name
for the first reaction.
Click on the Reactants = Products text to open the Reaction Components dialog box.
In the first reaction, one mole of chlorine reacts with one mole of propylene to form one mole of allyl chloride and one mole of hydrogen chloride, as shown below in Figure 57.
Figure 57:
Stoichiometry for the
First Reaction
64
Enter the stoichometric data for the second and third reactions in a similar manner until all three Reaction Definitions are blue in the Reaction
Definitions dialog box.
The equations conform to the default Power Law Kinetic Rate Calculation Method so you do not need to change this, just enter the data.
Figure 58:
Reaction Definitions
Since this reaction takes place in the vapor phase, change the Default
Phase to Vapor.
65
Enter the kinetic data for the second and third reactions in a similar way.
Step 2
Click Reactor Data... and enter the Reactor Volume (Figure 60a).
Save the data and return to the main CST Reactor dialog box.
Figure 60:
(a) Reactor Volume
(b) Product Estimates
66
Figure 62:
Reactor Summary
English UOM
OPERATING CONDITIONS
REACTOR TYPE
DUTY, MM BTU/HR
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR
VOLUME, FT3
SPACE-TIME, HR
AT OUTLET CONDITIONS
SPACE-VELOCITY, /HR
AT OUTLET CONDITIONS
INLET
----------PRPL
CL2
FEED
VAPOR PRODUCT
TEMPERATURE, F
PRESSURE, PSIA
ISOTHERMAL
-5.0728
-12.0313
10.0000
1.158E-04
8639.0894
OUTLET
----------PROD
800.00
70.0000
52.41
100.0000
REACTION DATA
COMPONENT
--------------1 CL2
2 C3H6
3 ACL
4 12PR
5 13PE
6 HCL
TOTAL
469.9996
-20.9131
FRACTION
CONVERTED
---------0.9411
0.6160
449.0864
Metric UOM
OPERATING CONDITIONS
REACTOR TYPE
DUTY, M*KCAL/HR
TOTAL HEAT OF REACTION AT 25.00 C, M*KCAL/HR
VOLUME, M3
SPACE-TIME, HR
AT OUTLET CONDITIONS
SPACE-VELOCITY, /HR
AT OUTLET CONDITIONS
INLET
----------PRPL
CL2
FEED
VAPOR PRODUCT
TEMPERATURE, C
PRESSURE, KG/CM2
ISOTHERMAL
-1.3273
-3.0835
0.3000
1.240E-04
8066.0654
OUTLET
----------PROD
425.00
5.0000
11.24
7.0000
REACTION DATA
COMPONENT
---------------1 CL2
2 C3H6
3 ACL
4 12PR
5 13PE
6 HCL
TOTAL
-9.7729
205.2271
Approximately 94% of the chlorine and 62% of the propylene is converted into the products allyl chloride, 1,2-dichloropropane, 1,3-dichloropropene and hydrogen chloride.
67
68
69
OPER HTEMP=110
FLASH UID=D-2
FEED 5
PRODUCT V=6, L=7
ADIABATIC
HX
UID=HX-2
HOT FEED=6, M=8, DP=5
COLD FEED=10, M=12, DP=5
CONFIGURE COUNTER
OPER HICO=10
HX
UID=HX-3
HOT FEED=8, M=9, DP=5
UTILITY REFRIGERANT, COMPONENT=5, TSAT=-22
CONFIGURE COUNTER
OPER HTEMP=-13
FLASH UID=D-3
FEED 9
PRODUCT V=10, L=11
ADIABATIC
VALVE UID=V-1
FEED 11
PRODUCT M=13
OPERATION PRESSURE=245
END
70
71
COMPRESSOR UID=C-2
FEED 14
PRODUCT V=16
OPERATION CALCULATION=ASME, PRES=600, EFF=73
PUMP UID=P-1
FEED 3,15
PRODUCT M=17
OPERATION EFF=65, PRESSURE=550
MIXER UID=M-2
FEED 16,12
PRODUCT M=18
MIXER UID=M-1
FEED 7,17
PRODUCT M=19
END
72
73
Gas Cooling
Process with Recycle Stream
TITLE
PRINT INPUT=NONE
DIMENSION ENGLISH, XDENSITY=SPGR
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,CO2/2,C1/3,C2/4,C3/5,IC4/6,NC4/7,IC5/8,NC5/9,NC6
THERMODYNAMIC DATA
METHOD SYSTEM=PR, SET=PR01
STREAM DATA
PROPERTY STREAM=1, TEMPERATURE=150, PRESSURE=3600, PHASE=M, &
RATE(M)=1000, COMPOSITION(M)=1,1.39/2,85.92/3,7.73/4,2.45/ &
5,0.36/6,0.56/7,0.21/8,0.26/9,1.12
UNIT OPERATIONS
VALVE UID=V1
FEED 1
PRODUCT M=2
OPERATION DP=1600
HX
UID=E1
HOT FEED=2, M=3, DP=5
COLD FEED=6, M=8, DP=5
CONFIGURE COUNTER
OPER HICO=15
VALVE UID=V2
FEED 3
PRODUCT M=4
OPERATION DP=900
HX
UID=E2
HOT FEED=4, M=5X, DP=5
OPER HTEMP=-20
FLASH UID=F1
FEED 5X
PRODUCT V=6, L=7
ADIABATIC DP=0
END
74
MEK/Toluene Preheat
TITLE
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,MEK/2,TOLUENE/3,WATER
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, ENTHALPY(V)=SRKM, DENSITY(V)=SRKM, SET=NRTL01, &
DEFAULT
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=190, PRESSURE=20, PHASE=M, &
RATE(M)=100, COMPOSITION(M)=1,19/2,80/3,1
UNIT OPERATIONS
FLASH UID=FD
FEED FEED
PRODUCT V=VAPOR, L=S1
TPSPEC DP=1
SPEC STREAM=VAPOR, RATE(LBM/H),TOTAL,WET, DIVIDE, REFFEED, &
RATE(LBM/H),WET, VALUE=0.4
HX
UID=HX
COLD FEED=S1, L=PROD, DP=1
DEFINE DUTY(BTU/HR) AS 1, MINUS, FLASH=FD, DUTY(BTU/HR)
END
75
76
UNIT OPERATIONS
FLASH UID=F1
FEED NAPHTHA_FEED
PRODUCT V=F1VAPOR, L=F1LIQUID
TPSPEC PRESSURE=0.8
SPEC STREAM=F1VAPOR, RATE(LBM/H),TOTAL,WET, DIVIDE, &
STREAM=NAPHTHA_FEED, RATE(LBM/H),TOTAL,WET, &
VALUE=0.8
FLASH UID=F2
FEED F1VAPOR
PRODUCT V=F2VAPOR, L=F2LIQUID
ISO DP=0.1
DEFINE TEMP(F) AS STREAM=F1VAPOR, TEMPERATURE(F), MINUS,18
CASESTUDY OLDCASE=BASECASE, NEWCASE=CS1
PARAMETER ID=F1SPLIT, FLASH=F1, SPEC(1),STEP(ACT)=-0.1, CYCLES =1,5
RESULT ID=F2DUTY, FLASH=F2, DUTY(BTU/HR)
END
Phase Envelope
TITLE
SEQUENCE PROCESS
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=150, PRESSURE=2500, PHASE=M, &
RATE(M)=100, COMPOSITION(M)=1,82/2,7/3,4/4,2/5,2/6,3
UNIT OPERATIONS
PHASE UID=PH1
EVAL STREAM=S1, LFRAC=0, IPLOT=OFF, CPLOT=1
EVAL STREAM=S1, LFRAC=0.05,IPLOT=OFF, CPLOT=2
EVAL STREAM=S1, LFRAC=0.1,IPLOT=OFF, CPLOT=3
EVAL STREAM=S1, LFRAC=0.15,IPLOT=OFF, CPLOT=4
EVAL STREAM=S1, LFRAC=1,IPLOT=OFF, CPLOT=5
END
Compressor Curves
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=15.499, PRESSURE=315, PHASE=M, &
RATE(M)=16500, COMPOSITION(M)=1,1.04/2,96.94/3,1.68/4,0.34
UNIT OPERATIONS
VALVE UID=V1
FEED S1
PRODUCT M=S2
OPERATION PRESSURE=87
HX
UID=E1
HOT FEED=S2, V=S4, L=S5, DP=4.4
OPER DUTY=2
HX
UID=E2
HOT FEED=S5, M=S6, DP=8.8
OPER HDTADEW=1E-15
MIXER UID=M1
FEED S4,S6
PRODUCT M=S7
OPERATION PRESSURE=65
COMPRESSOR UID=C1
FEED S7
PRODUCT V=S8
HEAD ACTUAL=900001,38000/1E6,37000/1.24E6,35299.9/ &
1.36E6,33100.1/1.43E6,27250
EFFICIENCY ADIA=900001,69/1E6,71/1.24E6,72/1.36E6,73/1.43E6,71
OPERATION CALCULATION=ASME
END
77
Debutanizer
TITLE
DIMENSION ENGLISH, XDENSITY=SPGR
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,H2/2,H2S/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=LPG, TEMPERATURE=104, PRESSURE=270, PHASE=M, &
RATE(LV)=400, COMPOSITION(M)=1,0.3/2,0.2/3,0.7/4,5.5/5,28.5/ &
6,11.7/7,49/8,4.1
PROPERTY STREAM=NAPHTHA, TEMPERATURE=104, PRESSURE=270, PHASE=M, &
RATE(LV)=3200, ASSAY=LV
D86 STREAM=NAPHTHA, DATA=0,104/5,144/10,158/30,196/50,228/70,248/ &
90,284/95,311/100,329, TEMP=F
SPGR STREAM=NAPHTHA, AVERAGE=0.75
LIGHTEND STREAM=NAPHTHA, COMPOSITION(LV)=5,0.07/6,0.21/7,0.42/ &
8,3.24/9,6.06, PERCENT(LV)=10, NORMALIZE
UNIT OPERATIONS
FLASH UID=F1
FEED LPG,NAPHTHA
PRODUCT L=CFEED
ISO TEMPERATURE=338, PRESSURE=270
COLUMN UID=DEBU
PARAMETER TRAY=32,IO
FEED CFEED,15
PRODUCT OVHD(M)=OVHD, BTMS(M)=BTMS, SUPERSEDE=ON
CONDENSER TYPE=BUBB, PRESSURE=185
DUTY 1,1/2,32
PSPEC PTOP=190, DPCOLUMN=4.3
PRINT PROPTABLE=PART
ESTIMATE MODEL=CONVENTIONAL, RRATIO=3
SPEC STREAM=OVHD, RATE(LBM/H), COMP=6,7,WET, DIVIDE, &
STREAM=CFEED, RATE(LBM/H), COMP=6,7,WET, VALUE=0.995
SPEC STREAM=OVHD, RATE(LBM/H), COMP=8,9,WET, DIVIDE, &
STREAM=CFEED, RATE(LBM/H), COMP=8,9,WET, VALUE=0.005
DEFINE PRODUCT(LBM/H)=OVHD AS STREAM=CFEED, RATE(LBM/H), &
COMP=1,7,WET
VARY DUTY=1,2
REBOILER TYPE=KETTLE
END
78
Part B
TITLE
PRINT INPUT=NONE
DIMENSION ENGLISH, PRES=PSIG
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,NC4/2,IC5/3,NC5/4,NC6/5,NC7/6,NC8
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, TRANSPORT=PETR, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=FD1, TEMPERATURE=70, PRESSURE=180, PHASE=M, &
RATE(WT)=600000, COMPOSITION(M)=1,15/2,14/3,16/4,22/5,13/ &
6,20
PROPERTY STREAM=BT1, TEMPERATURE=220, PRESSURE=120, PHASE=M, &
RATE(WT)=650000, COMPOSITION(M)=1,4/2,15/3,16/4,25/5,15/6,25
UNIT OPERATIONS
HXRIG UID=E1
TYPE TEMA=AES, ORIENTATION=HORI, FLOW=COUN, AREA=2295
TUBES FEED=FD1, M=FD2, BWG=14, NUMBER=600, PATTERN=60, &
PITCH=1.25, FOUL=0
SHELL FEED=BT1, M=BT2, FOUL=0.00393, ID=36
BAFFLE CUT=0.3, SPACING=24, INSPACING=24, OUTSPACING=24
SNOZZLE TYPE=CONV, ID=8,8
TNOZZLE ID=8,8
PRINT EXTENDED
END
79
80
81
82
CONFIGURE COUNTER
OPER CLFRAC=0
PUMP UID=P-1
FEED 3
PRODUCT M=17
OPERATION EFF=65, PRESSURE=3893.4
VALVE UID=V-1
FEED 11
PRODUCT M=13
OPERATION PRESSURE=1790.5
END
83
Gas Cooling
Process with Recycle Stream
TITLE
PRINT INPUT=NONE
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE PROCESS
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,CO2/2,C1/3,C2/4,C3/5,IC4/6,NC4/7,IC5/8,NC5/9,NC6
THERMODYNAMIC DATA
METHOD SYSTEM=PR, SET=PR01
STREAM DATA
PROPERTY STREAM=1, TEMPERATURE=66, PRESSURE=24820, PHASE=M, &
RATE(M)=455, COMPOSITION(M)=1,1.39/2,85.92/3,7.73/4,2.45/ &
5,0.36/6,0.56/7,0.21/8,0.26/9,1.12
UNIT OPERATIONS
VALVE UID=V1
FEED 1
PRODUCT M=2
OPERATION DP=11030
HX
UID=E1
HOT FEED=2, M=3, DP=35
COLD FEED=6, M=8, DP=35
CONFIGURE COUNTER
OPER HICO=8
VALVE UID=V2
FEED 3
PRODUCT M=4
OPERATION DP=6205
HX
UID=E2
HOT FEED=4, M=5X, DP=35
OPER HTEMP=-29
FLASH UID=F1
FEED 5X
PRODUCT V=6, L=7
ADIABATIC DP=0
END
84
MEK/Toluene Preheat
TITLE
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE PROCESS
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,MEK/2,TOLUENE/3,WATER
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL, ENTHALPY(V)=SRKM, DENSITY(V)=SRKM, SET=NRTL01, &
DEFAULT
STREAM DATA
PROPERTY STREAM=FEED, TEMPERATURE=88, PRESSURE=138, PHASE=M, &
RATE(M)=45, COMPOSITION(M)=1,19/2,80/3,1
UNIT OPERATIONS
FLASH UID=FD
FEED FEED
PRODUCT V=VAPOR, L=S1
TPSPEC DP=7
SPEC STREAM=VAPOR, RATE(LBM/H),TOTAL,WET, DIVIDE, REFFEED, &
RATE(LBM/H),WET, VALUE=0.4
HX
UID=HX
COLD FEED=S1, L=PROD, DP=7
DEFINE DUTY(KJ/HR) AS 1.05, MINUS, FLASH=FD, DUTY(KJ/HR)
END
85
86
Phase Envelope
TITLE PROJECT=TRAINING, PROBLEM=RETROGRADE C,
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,C1/2,C2/3,C3/4,IC4/5,NC4/6,IC5
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=66, PRESSURE=17240, PHASE=M, &
RATE(M)=45, COMPOSITION(M)=1,82/2,7/3,4/4,2/5,2/6,3
UNIT OPERATIONS
PHASE UID=PH1
EVAL STREAM=S1, LFRAC=0, IPLOT=OFF, CPLOT=1
EVAL STREAM=S1, LFRAC=0.05,IPLOT=OFF, CPLOT=2
EVAL STREAM=S1, LFRAC=0.1,IPLOT=OFF, CPLOT=3
EVAL STREAM=S1, LFRAC=0.15,IPLOT=OFF, CPLOT=4
EVAL STREAM=S1, LFRAC=1,IPLOT=OFF, CPLOT=5
END
Compressor Curves
TITLE
DIMENSION SI, TEMP=C, XDENSITY=SPGR, STDTEMP=0, STDPRES=101.325
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,C2/2,C3/3,IC4/4,NC4
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=-9.2, PRESSURE=2172, PHASE=M, &
RATE(M)=7485.01, COMPOSITION(M)=1,1.04/2,96.94/3,1.68/4,0.34
UNIT OPERATIONS
VALVE UID=V1
FEED S1
PRODUCT M=S2
OPERATION PRESSURE=600
HX
UID=E1
HOT FEED=S2, L=S5, V=S4, DP=30
OPER DUTY=2.11
HX
UID=E2
HOT FEED=S5, M=S6, DP=61
OPER HDTADEW=5.5556E-16
MIXER UID=M1
FEED S4,S6
PRODUCT M=S7
OPERATION PRESSURE=450
COMPRESSOR UID=C1
FEED S7
PRODUCT V=S8
HEAD ACTUAL=25485,11582/28317,11278/35113,10760/ &
38511,10089/40493,8306
EFFICIENCY ADIA=25485,69/283179,71/35113,72/38511,73/ &
40493,71
OPERATION CALCULATION=ASME
END
Debutanizer
TITLE
DIMENSION SI, TEMP=C, STDTEMP=0, STDPRES=101.325
SEQUENCE SIMSCI
CALCULATION RVPBASIS=APIN, TVP=37.778
COMPONENT DATA
LIBID 1,H2/2,H2S/3,C1/4,C2/5,C3/6,IC4/7,NC4/8,IC5/9,NC5
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
STREAM DATA
PROPERTY STREAM=LPG, TEMPERATURE=40, PRESSURE=1860, PHASE=M, &
RATE(LV)=11.3, COMPOSITION(M)=1,0.3/2,0.2/3,0.7/4,5.5/5,28.5/ &
6,11.7/7,49/8,4.1
PROPERTY STREAM=NAPHTHA, TEMPERATURE=40, PRESSURE=1860, PHASE=M, &
RATE(LV)=90, ASSAY=LV
D86 STREAM=NAPHTHA, DATA=0,40/5,62/10,70/30,91/50,109/70,120/ &
87
90,140/95,155/100,165, TEMP=C
SPGR STREAM=NAPHTHA, AVERAGE=0.75
LIGHTEND STREAM=NAPHTHA, COMPOSITION(LV)=5,0.07/6,0.21/7,0.42/ &
8,3.24/9,6.06, PERCENT(LV)=10, NORMALIZE
UNIT OPERATIONS
FLASH UID=F1
FEED LPG,NAPHTHA
PRODUCT L=CFEED
ISO TEMPERATURE=170, PRESSURE=1860
COLUMN UID=DEBU
PARAMETER TRAY=32,IO
FEED CFEED,15
PRODUCT OVHD(M)=OVHD, BTMS(M)=BTMS, SUPERSEDE=ON
CONDENSER TYPE=BUBB, PRESSURE=1275
DUTY 1,1/2,32
PSPEC PTOP=1310, DPCOLUMN=30
PRINT PROPTABLE=PART
ESTIMATE MODEL=CONVENTIONAL, RRATIO=3
SPEC STREAM=OVHD, RATE(LBM/H), COMP=6,7,WET, DIVIDE, &
STREAM=CFEED, RATE(LBM/H), COMP=6,7,WET, VALUE=0.99
SPEC STREAM=OVHD, RATE(LBM/H), COMP=8,9,WET, DIVIDE, &
STREAM=CFEED, RATE(LBM/H), COMP=8,9,WET, VALUE=0.01
DEFINE PRODUCT(LBM/H)=OVHD AS STREAM=CFEED, RATE(LBM/H), &
COMP=1,7,WET
VARY DUTY=1,2
REBOILER TYPE=KETTLE
END
88
89