answer the question

CHEM 10004 Chemical Engineering 3LAB
CHEM 10004: Chemical Engineering 3
Laboratory 6: Propylene Chlorination Reactor
Goal:
To learn principles related to chemical processes, the Continuous Stirred Tank Reactor
(CSTR), review reaction kinetics theory, apply PRO/II software in a chemical process of
propylene chlorination, build PFD, build process simulation and analyze results.
Description:
This process represents a chemical process run in a Continuous Stirred Tank Reactor
(CSTR). In this type of reactor, reactants are continuously fed to the reactor, product is
continuously removed from the reactor, while the contents of the reactor are
homogeneous thanks to the stirring. The average time material stays in the reactor is
called the Mean Residence Time.
The process flow diagram is shown in Figure 1.
Propylene
Product
Cl2
CST1
Figure 1: Propylene chlorination reactor
1
CHEM 10004 Chemical Engineering 3
LAB
In the propylene chlorination plant, chlorine reacts with propylene to give:
allyl chloride
1,2-dichloropropane
1,3-dichloropropene
hydrogen chloride
The reaction is carried at 800°F and 70 psia pressure in a homogenous gas phase
reactor. The product is separated in a fractionation section. Un-reacted propylene is
recycled back to the reactor. The reactor volume is 10 ft 3. We can assume that almost
all chlorine is converted (1% of chlorine is present in the product stream).
Select SRK thermodynamic method for your calculations with Costald liquid densities.
Feed Stream data can be found in Table 1
Table 1: Feed stream data
Composition
Flowrate
Temperature
Propylene
100%
220 lb-moles/hr
59°F
Cl2
100%
250 lb-moles/hr
79°F
Pressure
200 psia
100 psia
Reaction data can be found in Figure 2.
Cl 2 C3 H 6
C3 H 5Cl
Rate 3.36 1012 e
Cl 2 C3 H 6
HCl
27009 .6
RT
(CCl 2 ) (CC3 H 6 )
C3 H 6Cl 2
Rate 1.91 108 e
6811 .98
RT
(CCl 2 ) (CC3 H 6 )
Cl 2 C3 H 5Cl
C3 H 4Cl 2
HCl
Rate 7.51 1015 e
42300
RT
(CCl 2 ) (CC3 H 5Cl )
Figure 2: Propylene chlorination reactions. Reactions rates are in
lb-moles/(ft3 hr). Activation energies are in BTU/lb-mole.
2
CHEM 10004 Chemical Engineering 3
LAB
Procedure:
1
2
3
4
5
Build the flowsheet according to Figure 1
Enter the Units of Measure.
Enter the components. Change the phase of components to vapor-liquid to
eliminate a warning later-on before running the simulation.
Select the thermodynamic method (make sure you use the right method for
density).
Enter the reaction data.
a. In the Reaction Data dialog box, enter a Reaction Set Name and click Enter
Data. The Reaction Definition dialog box appears.
b. There are 3 reactions which are found in Figure 2. In the first row of the grid,
enter a name for the first reaction
c. Click on the Reactants=Products text to open the Reaction Components dialog
box.
In the first reaction, one mole of propylene reacts with one mole of chlorine to
form one mole of allyl chloride and one mole of hydrogen chloride as shown in
Figure 3.
Figure 3: Reaction data dialog box.
Enter the stoichiometric data for the second and third reactions in a similar
manner until all three Reaction Definitions are blue in the Reaction Definitions
dialog box. Power Law Kinetics should be selected in the Reaction Definitions
dialog box at Kinetic Rate Calculation Method.
3
CHEM 10004 Chemical Engineering 3
LAB
d. Enter the kinetic data into the simulation. Select K for the first reaction listed in
Reaction Definitions dialog box. Reaction takes place in the vapor phase:
change the Default Phase to Vapor.
e. Figure 4 shows the completed dialog box for Kinetic Reaction Data for the first
reaction. Enter kinetic data for the remaining reactions.
27.0096
Figure 4: Kinetic Reaction Data dialog box
6
Enter the Unit Data
a. In the CSTR (Continuous Stirred Tank Reactor) dialog box select the Reaction
Set you have created. See Figure 5
b. Enter the Fixed Temperature.
c. Click on Reactor Data and enter the reactor volume.
d. Click Product Estimates and enter 2.5 lbmoles/hr Cl2 with 1% CL2 flowrate
[250×0.01=2.5].
e. Save the data and return to the main CST Reactor dialog box.
f. Click Pressure and enter Outlet Pressure.
4
CHEM 10004 Chemical Engineering 3
LAB
Figure 5: CSTR dialog box
7
8
Run the simulation and view/record the results. (Run 1)
Change the reactor temperature to 700°F and run the program. View/Record the
results. (Run 2)
9 Change the reactor temperature to 900°F and run the program. View/Record the
results. (Run 3)
10 Increase the reaction rate in the Kinetic Reaction Data window for the first reaction
by 4 orders of magnitude from 10exp12 to 10exp16.
11 Run your simulation and view/record the results. (Run 4)
12 Upload the output files with excel files of all 4 runs the drop box on elearn.
Results:
1
2
3
4
5
Create a table with the heat of formation of all the substances present in your
simulation. Compare the provided values with literature data. List both the PRO/II
and the literature value on the table
Create a table with the heat of reaction (from PRO/II) of all the chemical reactions in
your simulation. On that table, state if the reactions are exothermic or endothermic.
Calculate the extent of all reactions for Run 1. Show your calculations.
Which is the limiting reactant in this system? Find the %excess of the reactant in
excess.
Create a table with the extent of each reaction, the fractional conversion of Cl2, the
5
CHEM 10004 Chemical Engineering 3
LAB
reactor duty, the total heat of reaction, and the mean residence time for all 4 runs.
Show your calculations for the mean residence time (if you had to do any).
Questions:
1
2
What happened when the reaction rate for the first reaction changes was increased
by 4 orders of magnitude from 10exp12 to 10exp16? Comment and compare.
What happens to the heat of reaction if the temperature of the reactions changes
from 700, to 800 and then 900°F?
6
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:34:23 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=800
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
SIMULATION SCIENCES INC. R PAGE H-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM CALCULATION
HISTORY 02/09/23
==============================================================================
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1 SOLVED – ‘R1 ‘
*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:30:52 02/09/23 NO ERRORS
FINISHED 13:30:52 02/09/23 NO WARNINGS
RUN TIMES NO MESSAGES
INTERACTIVE 0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.10 SEC
TOTAL 0 MIN, 0.10 SEC
SIMULATION SCIENCES INC. R PAGE I-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
INDEX 02/09/23
==============================================================================
PAGE CONTENTS
—— —————————————————————-
1 COMPONENT DATA
2 CALCULATION SEQUENCE AND RECYCLES
2 SEQUENCE MAP
3 PLANT MATERIAL BALANCE
CSTR SUMMARY
4 UNIT 1, ‘R1’
6 STREAM MOLAR COMPONENT RATES
7 STREAM SUMMARY
SIMULATION SCIENCES INC. R PAGE P-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
COMPONENT DATA 02/09/23
==============================================================================
COMPONENT COMP. TYPE PHASE MOL. WEIGHT API
——————— ———– ———– ———– ———–
1 ACL LIBRARY VAP/LIQ 76.525 18.366
2 12PR LIBRARY VAP/LIQ 112.986 -9.914
3 13PE LIBRARY VAP/LIQ 110.970 -15.943
4 HCL LIBRARY VAP/LIQ 36.461 35.475
5 PROPENE LIBRARY VAP/LIQ 42.081 141.040
6 CHLORINE LIBRARY VAP/LIQ 70.905 -32.105
COMPONENT NBP CRIT. TEMP. CRIT. PRES. CRIT. VOLM.
F F PSIA FT3/LB-MOL
——————— ———– ———– ———– ———–
1 ACL 113.270 465.800 683.127 3.7483
2 12PR 205.466 569.930 614.960 4.6614
3 13PE 233.600 608.540 634.865 4.5332
4 HCL -121.000 124.700 1205.263 1.2975
5 PROPENE -53.842 198.356 676.601 3.0179
6 CHLORINE -29.254 291.200 1118.241 1.9863
COMPONENT ACEN. FACT. HEAT FORM. G FORM.
BTU/LB-MOL BTU/LB-MOL
——————— ———– ———– ———–
1 ACL 0.14784 -269.99 18701.63
2 12PR 0.25639 -69991.40 -34471.20
3 13PE 0.29000 -8838.00 11909.97
4 HCL 0.13154 -39686.16 -40971.63
5 PROPENE 0.13982 8473.77 26719.69
6 CHLORINE 0.06882 0.00 0.00
COMPONENT DATABANK(S) USED
——————— ———————
1 ACL SIMSCI
2 12PR SIMSCI
3 13PE SIMSCI
4 HCL SIMSCI
5 PROPENE SIMSCI
6 CHLORINE SIMSCI
SIMULATION SCIENCES INC. R PAGE P-2
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CALCULATION SEQUENCE AND RECYCLES 02/09/23
==============================================================================
CALCULATION SEQUENCE
SEQ UNIT ID UNIT TYPE
— ———— ———-
1 R1 CSTR
SEQUENCE MAP
SEQ DESCRIPTION
—- —————————————–
1 CSTR ‘R1’
SIMULATION SCIENCES INC. R PAGE P-3
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
PLANT MATERIAL BALANCE 02/09/23
==============================================================================
FEED STREAMS: S1 S2
PRODUCT STREAMS: S3
OVERALL PLANT MOLAR BALANCE
—————- LB-MOL/HR —————- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.000 29.386 29.386 0.000 0.00
2 12PR 0.000 87.931 87.931 0.000 0.00
3 13PE 0.000 58.545 58.545 0.000 0.00
4 HCL 0.000 146.476 146.476 0.000 0.00
5 PROPENE 220.000 -175.863 44.137 0.000 0.00
6 CHLORINE 250.000 -234.408 15.592 0.000 0.00
TOTAL 470.000 -87.931 382.069 0.000 0.00
OVERALL PLANT MASS BALANCE
—————— LB/HR —————— PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.00 2248.81 2248.81 0.00 0.00
2 12PR 0.00 9935.02 9935.02 0.00 0.00
3 13PE 0.00 6496.75 6496.75 0.00 0.00
4 HCL 0.00 5340.63 5340.63 0.00 0.00
5 PROPENE 9257.74 -7400.42 1857.32 0.00 0.00
6 CHLORINE 17726.35 -16620.79 1105.56 0.00 0.00
TOTAL 26984.09 0.00 26984.09 0.00 0.00
SIMULATION SCIENCES INC. R PAGE P-4
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’
OPERATING CONDITIONS
REACTOR TYPE ISOTHERMAL
DUTY, MM BTU/HR -7.0289
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -13.9831
VOLUME, FT3 10.0000
SPACE-TIME, HR AT OUTLET CONDITIONS 1.363E-04
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 7334.4516
INLET OUTLET
———– ———–
FEED S1
S2
VAPOR PRODUCT S3
TEMPERATURE, F 52.12 800.00
PRESSURE, PSIA 100.0000 70.0000
REACTION DATA
——— RATES, LB-MOL/HR ———- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
—————— ———– ———– ———– ———–
1 ACL 0.0000 29.3864 29.3864
2 12PR 0.0000 87.9315 87.9315
3 13PE 0.0000 58.5450 58.5450
4 HCL 0.0000 146.4765 146.4765
5 PROPENE 220.0000 -175.8629 44.1371 0.7994
6 CHLORINE 250.0000 -234.4079 15.5921 0.9376
TOTAL 470.0000 -87.9315 382.0685
LB-MOL/HR /
FT3 FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
—————— ———– ———– ———–
5 PROPENE 1 -8.7931 0.3997
5 PROPENE 2 -8.7931 0.3997
1 ACL 3 0.0000 -0.0260
REACTION -E/RT
———– ———–
1 -10.7972
2 -10.7972
3 -10.7972
SIMULATION SCIENCES INC. R PAGE P-5
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’ (Cont)
REACTOR MASS BALANCE
———– Rates, LB/HR ———— Fraction
Component Feed Change Product Converted
——————– ———– ———– ———– ———–
1 ACL 0.0000 2248.8094 2248.8094
2 12PR 0.0000 9935.0239 9935.0239
3 13PE 0.0000 6496.7519 6496.7519
4 HCL 0.0000 5340.6260 5340.6260
5 PROPENE 9257.7406 -7400.4240 1857.3166 0.7994
6 CHLORINE 17726.3508 -16620.7890 1105.5618 0.9376
TOTAL 26984.0913 0.0000 26984.0895
SIMULATION SCIENCES INC. R PAGE P-6
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM MOLAR COMPONENT RATES 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
FLUID RATES, LB-MOL/HR
1 ACL 0.0000 0.0000 29.3864
2 12PR 0.0000 0.0000 87.9315
3 13PE 0.0000 0.0000 58.5450
4 HCL 0.0000 0.0000 146.4765
5 PROPENE 220.0000 0.0000 44.1371
6 CHLORINE 0.0000 250.0000 15.5921
TOTAL RATE, LB-MOL/HR 220.0000 250.0000 382.0685
TEMPERATURE, F 59.0000 79.0000 800.0000
PRESSURE, PSIA 200.0000 100.0000 70.0000
ENTHALPY, MM BTU/HR 0.1378 2.1264 9.7024
MOLECULAR WEIGHT 42.0806 70.9054 70.6263
MOLE FRAC VAPOR 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000
SIMULATION SCIENCES INC. R PAGE P-7
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
—– TOTAL STREAM —–
RATE, LB-MOL/HR 220.000 250.000 382.069
M LB/HR 9.258 17.726 26.984
STD LIQ RATE, FT3/HR 285.908 199.653 431.004
TEMPERATURE, F 59.000 79.000 800.000
PRESSURE, PSIA 200.000 100.000 70.000
MOLECULAR WEIGHT 42.081 70.905 70.626
ENTHALPY, MM BTU/HR 0.138 2.126 9.702
BTU/LB 14.881 119.958 359.560
MOLE FRACTION LIQUID 1.0000 0.0000 0.0000
REDUCED TEMP (KAYS RULE) 0.7882 0.7174 1.5697
PRES (KAYS RULE) 0.2956 0.0894 0.0798
ACENTRIC FACTOR 0.1398 0.0688 0.1842
WATSON K (UOPK) 14.260 5.304 8.062
STD LIQ DENSITY, LB/FT3 32.380 88.785 62.607
SPECIFIC GRAVITY 0.5192 1.4236 1.0039
API GRAVITY 141.040 -32.105 9.456
——– VAPOR ———
RATE, LB-MOL/HR N/A 250.000 382.069
M LB/HR N/A 17.726 26.984
M FT3/HR N/A 13.250 73.345
STD VAP RATE(1), M FT3/HR N/A 94.871 144.989
SPECIFIC GRAVITY (AIR=1.0) N/A 2.448 2.438
MOLECULAR WEIGHT N/A 70.905 70.626
ENTHALPY, BTU/LB N/A 119.958 359.560
CP, BTU/LB-F N/A 0.125 0.328
DENSITY, LB/M FT3 N/A 1337.878 367.907
Z (FROM DENSITY) N/A 0.9168 0.9940
TH COND, BTU/HR-FT-F N/A 0.00516 0.02194
VISCOSITY, CP N/A 0.01348 0.02340
KVIS (VISC/DENS), CSTOKE N/A 0.6289 3.9706
(1) STANDARD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
SIMULATION SCIENCES INC. R PAGE P-8
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
——– LIQUID ——–
RATE, LB-MOL/HR 220.000 N/A N/A
M LB/HR 9.258 N/A N/A
FT3/HR 283.720 N/A N/A
GAL/MIN 35.373 N/A N/A
STD LIQ RATE, FT3/HR 285.908 N/A N/A
SPECIFIC GRAVITY (H2O=1.0) 0.5192 N/A N/A
MOLECULAR WEIGHT 42.081 N/A N/A
ENTHALPY, BTU/LB 14.881 N/A N/A
CP, BTU/LB-F 0.638 N/A N/A
DENSITY, LB/FT3 32.630 N/A N/A
Z (FROM DENSITY) 0.0463 N/A N/A
SURFACE TENSION, DYNE/CM 8.1549 N/A N/A
THERMAL COND, BTU/HR-FT-F 0.06039 N/A N/A
VISCOSITY, CP 0.10030 N/A N/A
KVIS (VISC/DENS), CSTOKE 0.1919 N/A N/A
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:47:19 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E16, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=900
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
SIMULATION SCIENCES INC. R PAGE H-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM CALCULATION
HISTORY 02/09/23
==============================================================================
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1 SOLVED – ‘R1 ‘
*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:46:43 02/09/23 NO ERRORS
FINISHED 13:46:43 02/09/23 NO WARNINGS
RUN TIMES NO MESSAGES
INTERACTIVE 0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.10 SEC
TOTAL 0 MIN, 0.10 SEC
SIMULATION SCIENCES INC. R PAGE I-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
INDEX 02/09/23
==============================================================================
PAGE CONTENTS
—— —————————————————————-
1 COMPONENT DATA
2 CALCULATION SEQUENCE AND RECYCLES
2 SEQUENCE MAP
3 PLANT MATERIAL BALANCE
CSTR SUMMARY
4 UNIT 1, ‘R1’
6 STREAM MOLAR COMPONENT RATES
7 STREAM SUMMARY
SIMULATION SCIENCES INC. R PAGE P-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
COMPONENT DATA 02/09/23
==============================================================================
COMPONENT COMP. TYPE PHASE MOL. WEIGHT API
——————— ———– ———– ———– ———–
1 ACL LIBRARY VAP/LIQ 76.525 18.366
2 12PR LIBRARY VAP/LIQ 112.986 -9.914
3 13PE LIBRARY VAP/LIQ 110.970 -15.943
4 HCL LIBRARY VAP/LIQ 36.461 35.475
5 PROPENE LIBRARY VAP/LIQ 42.081 141.040
6 CHLORINE LIBRARY VAP/LIQ 70.905 -32.105
COMPONENT NBP CRIT. TEMP. CRIT. PRES. CRIT. VOLM.
F F PSIA FT3/LB-MOL
——————— ———– ———– ———– ———–
1 ACL 113.270 465.800 683.127 3.7483
2 12PR 205.466 569.930 614.960 4.6614
3 13PE 233.600 608.540 634.865 4.5332
4 HCL -121.000 124.700 1205.263 1.2975
5 PROPENE -53.842 198.356 676.601 3.0179
6 CHLORINE -29.254 291.200 1118.241 1.9863
COMPONENT ACEN. FACT. HEAT FORM. G FORM.
BTU/LB-MOL BTU/LB-MOL
——————— ———– ———– ———–
1 ACL 0.14784 -269.99 18701.63
2 12PR 0.25639 -69991.40 -34471.20
3 13PE 0.29000 -8838.00 11909.97
4 HCL 0.13154 -39686.16 -40971.63
5 PROPENE 0.13982 8473.77 26719.69
6 CHLORINE 0.06882 0.00 0.00
COMPONENT DATABANK(S) USED
——————— ———————
1 ACL SIMSCI
2 12PR SIMSCI
3 13PE SIMSCI
4 HCL SIMSCI
5 PROPENE SIMSCI
6 CHLORINE SIMSCI
SIMULATION SCIENCES INC. R PAGE P-2
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CALCULATION SEQUENCE AND RECYCLES 02/09/23
==============================================================================
CALCULATION SEQUENCE
SEQ UNIT ID UNIT TYPE
— ———— ———-
1 R1 CSTR
SEQUENCE MAP
SEQ DESCRIPTION
—- —————————————–
1 CSTR ‘R1’
SIMULATION SCIENCES INC. R PAGE P-3
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
PLANT MATERIAL BALANCE 02/09/23
==============================================================================
FEED STREAMS: S1 S2
PRODUCT STREAMS: S3
OVERALL PLANT MOLAR BALANCE
—————- LB-MOL/HR —————- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.000 190.653 190.653 0.000 0.00
2 12PR 0.000 0.022 0.022 0.000 0.00
3 13PE 0.000 29.183 29.183 0.000 0.00
4 HCL 0.000 249.018 249.018 0.000 0.00
5 PROPENE 220.000 -219.857 0.143 0.000 0.00
6 CHLORINE 250.000 -249.040 0.960 0.000 0.00
TOTAL 470.000 -0.022 469.978 0.000 0.00
OVERALL PLANT MASS BALANCE
—————— LB/HR —————— PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.00 14589.78 14589.78 0.00 0.00
2 12PR 0.00 2.48 2.48 0.00 0.00
3 13PE 0.00 3238.39 3238.39 0.00 0.00
4 HCL 0.00 9079.35 9079.35 0.00 0.00
5 PROPENE 9257.74 -9251.74 6.00 0.00 0.00
6 CHLORINE 17726.35 -17658.27 68.08 0.00 0.00
TOTAL 26984.09 0.00 26984.09 0.00 0.00
SIMULATION SCIENCES INC. R PAGE P-4
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’
OPERATING CONDITIONS
REACTOR TYPE ISOTHERMAL
DUTY, MM BTU/HR -4.1746
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -12.0565
VOLUME, FT3 10.0000
SPACE-TIME, HR AT OUTLET CONDITIONS 1.023E-04
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 9771.6166
INLET OUTLET
———– ———–
FEED S1
S2
VAPOR PRODUCT S3
TEMPERATURE, F 52.12 900.00
PRESSURE, PSIA 100.0000 70.0000
REACTION DATA
——— RATES, LB-MOL/HR ———- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
—————— ———– ———– ———– ———–
1 ACL 0.0000 190.6528 190.6528
2 12PR 0.0000 0.0220 0.0220
3 13PE 0.0000 29.1825 29.1825
4 HCL 0.0000 249.0179 249.0179
5 PROPENE 220.0000 -219.8574 0.1426 0.9994
6 CHLORINE 250.0000 -249.0399 0.9601 0.9962
TOTAL 470.0000 -0.0220 469.9780
LB-MOL/HR /
FT3 FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
—————— ———– ———– ———–
5 PROPENE 1 -21.9835 0.9993
5 PROPENE 2 -2.198E-03 9.993E-05
1 ACL 3 0.0000 -0.0130
REACTION -E/RT
———– ———–
1 -10.0031
2 -10.0031
3 -10.0031
SIMULATION SCIENCES INC. R PAGE P-5
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’ (Cont)
REACTOR MASS BALANCE
———– Rates, LB/HR ———— Fraction
Component Feed Change Product Converted
——————– ———– ———– ———– ———–
1 ACL 0.0000 14589.7849 14589.7849
2 12PR 0.0000 2.4838 2.4838
3 13PE 0.0000 3238.3914 3238.3914
4 HCL 0.0000 9079.3523 9079.3523
5 PROPENE 9257.7406 -9251.7382 6.0024 0.9994
6 CHLORINE 17726.3508 -17658.2739 68.0769 0.9962
TOTAL 26984.0913 0.0000 26984.0916
SIMULATION SCIENCES INC. R PAGE P-6
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM MOLAR COMPONENT RATES 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
FLUID RATES, LB-MOL/HR
1 ACL 0.0000 0.0000 190.6528
2 12PR 0.0000 0.0000 0.0220
3 13PE 0.0000 0.0000 29.1825
4 HCL 0.0000 0.0000 249.0179
5 PROPENE 220.0000 0.0000 0.1426
6 CHLORINE 0.0000 250.0000 0.9601
TOTAL RATE, LB-MOL/HR 220.0000 250.0000 469.9780
TEMPERATURE, F 59.0000 79.0000 900.0000
PRESSURE, PSIA 200.0000 100.0000 70.0000
ENTHALPY, MM BTU/HR 0.1378 2.1264 11.0041
MOLECULAR WEIGHT 42.0806 70.9054 57.4156
MOLE FRAC VAPOR 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000
SIMULATION SCIENCES INC. R PAGE P-7
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
—– TOTAL STREAM —–
RATE, LB-MOL/HR 220.000 250.000 469.978
M LB/HR 9.258 17.726 26.984
STD LIQ RATE, FT3/HR 285.908 199.653 462.949
TEMPERATURE, F 59.000 79.000 900.000
PRESSURE, PSIA 200.000 100.000 70.000
MOLECULAR WEIGHT 42.081 70.905 57.416
ENTHALPY, MM BTU/HR 0.138 2.126 11.004
BTU/LB 14.881 119.958 407.799
MOLE FRACTION LIQUID 1.0000 0.0000 0.0000
REDUCED TEMP (KAYS RULE) 0.7882 0.7174 1.8053
PRES (KAYS RULE) 0.2956 0.0894 0.0731
ACENTRIC FACTOR 0.1398 0.0688 0.1479
WATSON K (UOPK) 14.260 5.304 8.408
STD LIQ DENSITY, LB/FT3 32.380 88.785 58.287
SPECIFIC GRAVITY 0.5192 1.4236 0.9346
API GRAVITY 141.040 -32.105 19.903
——– VAPOR ———
RATE, LB-MOL/HR N/A 250.000 469.978
M LB/HR N/A 17.726 26.984
M FT3/HR N/A 13.250 97.716
STD VAP RATE(1), M FT3/HR N/A 94.871 178.349
SPECIFIC GRAVITY (AIR=1.0) N/A 2.448 1.982
MOLECULAR WEIGHT N/A 70.905 57.416
ENTHALPY, BTU/LB N/A 119.958 407.799
CP, BTU/LB-F N/A 0.125 0.338
DENSITY, LB/M FT3 N/A 1337.878 276.146
Z (FROM DENSITY) N/A 0.9168 0.9974
TH COND, BTU/HR-FT-F N/A 0.00516 0.02376
VISCOSITY, CP N/A 0.01348 0.02705
KVIS (VISC/DENS), CSTOKE N/A 0.6289 6.1147
(1) STANDARD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
SIMULATION SCIENCES INC. R PAGE P-8
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
——– LIQUID ——–
RATE, LB-MOL/HR 220.000 N/A N/A
M LB/HR 9.258 N/A N/A
FT3/HR 283.720 N/A N/A
GAL/MIN 35.373 N/A N/A
STD LIQ RATE, FT3/HR 285.908 N/A N/A
SPECIFIC GRAVITY (H2O=1.0) 0.5192 N/A N/A
MOLECULAR WEIGHT 42.081 N/A N/A
ENTHALPY, BTU/LB 14.881 N/A N/A
CP, BTU/LB-F 0.638 N/A N/A
DENSITY, LB/FT3 32.630 N/A N/A
Z (FROM DENSITY) 0.0463 N/A N/A
SURFACE TENSION, DYNE/CM 8.1549 N/A N/A
THERMAL COND, BTU/HR-FT-F 0.06039 N/A N/A
VISCOSITY, CP 0.10030 N/A N/A
KVIS (VISC/DENS), CSTOKE 0.1919 N/A N/A
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:37:49 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=700
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
SIMULATION SCIENCES INC. R PAGE H-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM CALCULATION
HISTORY 02/09/23
==============================================================================
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1 SOLVED – ‘R1 ‘
*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:36:05 02/09/23 NO ERRORS
FINISHED 13:36:05 02/09/23 NO WARNINGS
RUN TIMES NO MESSAGES
INTERACTIVE 0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.10 SEC
TOTAL 0 MIN, 0.10 SEC
SIMULATION SCIENCES INC. R PAGE I-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
INDEX 02/09/23
==============================================================================
PAGE CONTENTS
—— —————————————————————-
1 COMPONENT DATA
2 CALCULATION SEQUENCE AND RECYCLES
2 SEQUENCE MAP
3 PLANT MATERIAL BALANCE
CSTR SUMMARY
4 UNIT 1, ‘R1’
6 STREAM MOLAR COMPONENT RATES
7 STREAM SUMMARY
SIMULATION SCIENCES INC. R PAGE P-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
COMPONENT DATA 02/09/23
==============================================================================
COMPONENT COMP. TYPE PHASE MOL. WEIGHT API
——————— ———– ———– ———– ———–
1 ACL LIBRARY VAP/LIQ 76.525 18.366
2 12PR LIBRARY VAP/LIQ 112.986 -9.914
3 13PE LIBRARY VAP/LIQ 110.970 -15.943
4 HCL LIBRARY VAP/LIQ 36.461 35.475
5 PROPENE LIBRARY VAP/LIQ 42.081 141.040
6 CHLORINE LIBRARY VAP/LIQ 70.905 -32.105
COMPONENT NBP CRIT. TEMP. CRIT. PRES. CRIT. VOLM.
F F PSIA FT3/LB-MOL
——————— ———– ———– ———– ———–
1 ACL 113.270 465.800 683.127 3.7483
2 12PR 205.466 569.930 614.960 4.6614
3 13PE 233.600 608.540 634.865 4.5332
4 HCL -121.000 124.700 1205.263 1.2975
5 PROPENE -53.842 198.356 676.601 3.0179
6 CHLORINE -29.254 291.200 1118.241 1.9863
COMPONENT ACEN. FACT. HEAT FORM. G FORM.
BTU/LB-MOL BTU/LB-MOL
——————— ———– ———– ———–
1 ACL 0.14784 -269.99 18701.63
2 12PR 0.25639 -69991.40 -34471.20
3 13PE 0.29000 -8838.00 11909.97
4 HCL 0.13154 -39686.16 -40971.63
5 PROPENE 0.13982 8473.77 26719.69
6 CHLORINE 0.06882 0.00 0.00
COMPONENT DATABANK(S) USED
——————— ———————
1 ACL SIMSCI
2 12PR SIMSCI
3 13PE SIMSCI
4 HCL SIMSCI
5 PROPENE SIMSCI
6 CHLORINE SIMSCI
SIMULATION SCIENCES INC. R PAGE P-2
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CALCULATION SEQUENCE AND RECYCLES 02/09/23
==============================================================================
CALCULATION SEQUENCE
SEQ UNIT ID UNIT TYPE
— ———— ———-
1 R1 CSTR
SEQUENCE MAP
SEQ DESCRIPTION
—- —————————————–
1 CSTR ‘R1’
SIMULATION SCIENCES INC. R PAGE P-3
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
PLANT MATERIAL BALANCE 02/09/23
==============================================================================
FEED STREAMS: S1 S2
PRODUCT STREAMS: S3
OVERALL PLANT MOLAR BALANCE
—————- LB-MOL/HR —————- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.000 31.796 31.796 0.000 0.00
2 12PR 0.000 84.513 84.513 0.000 0.00
3 13PE 0.000 52.717 52.717 0.000 0.00
4 HCL 0.000 137.230 137.230 0.000 0.00
5 PROPENE 220.000 -169.026 50.974 0.000 0.00
6 CHLORINE 250.000 -221.743 28.257 0.000 0.00
TOTAL 470.000 -84.513 385.487 0.000 0.00
OVERALL PLANT MASS BALANCE
—————— LB/HR —————— PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.00 2433.23 2433.23 0.00 0.00
2 12PR 0.00 9548.78 9548.78 0.00 0.00
3 13PE 0.00 5849.98 5849.98 0.00 0.00
4 HCL 0.00 5003.48 5003.48 0.00 0.00
5 PROPENE 9257.74 -7112.72 2145.02 0.00 0.00
6 CHLORINE 17726.35 -15722.75 2003.60 0.00 0.00
TOTAL 26984.09 0.00 26984.09 0.00 0.00
SIMULATION SCIENCES INC. R PAGE P-4
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’
OPERATING CONDITIONS
REACTOR TYPE ISOTHERMAL
DUTY, MM BTU/HR -7.1949
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -13.2681
VOLUME, FT3 10.0000
SPACE-TIME, HR AT OUTLET CONDITIONS 1.472E-04
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 6795.0309
INLET OUTLET
———– ———–
FEED S1
S2
VAPOR PRODUCT S3
TEMPERATURE, F 52.12 700.00
PRESSURE, PSIA 100.0000 70.0000
REACTION DATA
——— RATES, LB-MOL/HR ———- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
—————— ———– ———– ———– ———–
1 ACL 0.0000 31.7963 31.7963
2 12PR 0.0000 84.5130 84.5130
3 13PE 0.0000 52.7167 52.7167
4 HCL 0.0000 137.2297 137.2297
5 PROPENE 220.0000 -169.0260 50.9740 0.7683
6 CHLORINE 250.0000 -221.7427 28.2573 0.8870
TOTAL 470.0000 -84.5130 385.4870
LB-MOL/HR /
FT3 FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
—————— ———– ———– ———–
5 PROPENE 1 -8.4513 0.3841
5 PROPENE 2 -8.4513 0.3841
1 ACL 3 0.0000 -0.0235
REACTION -E/RT
———– ———–
1 -11.7283
2 -11.7283
3 -11.7283
SIMULATION SCIENCES INC. R PAGE P-5
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’ (Cont)
REACTOR MASS BALANCE
———– Rates, LB/HR ———— Fraction
Component Feed Change Product Converted
——————– ———– ———– ———– ———–
1 ACL 0.0000 2433.2250 2433.2250
2 12PR 0.0000 9548.7847 9548.7847
3 13PE 0.0000 5849.9810 5849.9810
4 HCL 0.0000 5003.4818 5003.4818
5 PROPENE 9257.7406 -7112.7213 2145.0193 0.7683
6 CHLORINE 17726.3508 -15722.7531 2003.5977 0.8870
TOTAL 26984.0913 0.0000 26984.0895
SIMULATION SCIENCES INC. R PAGE P-6
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM MOLAR COMPONENT RATES 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
FLUID RATES, LB-MOL/HR
1 ACL 0.0000 0.0000 31.7963
2 12PR 0.0000 0.0000 84.5130
3 13PE 0.0000 0.0000 52.7167
4 HCL 0.0000 0.0000 137.2297
5 PROPENE 220.0000 0.0000 50.9740
6 CHLORINE 0.0000 250.0000 28.2573
TOTAL RATE, LB-MOL/HR 220.0000 250.0000 385.4870
TEMPERATURE, F 59.0000 79.0000 700.0000
PRESSURE, PSIA 200.0000 100.0000 70.0000
ENTHALPY, MM BTU/HR 0.1378 2.1264 8.7981
MOLECULAR WEIGHT 42.0806 70.9054 70.0000
MOLE FRAC VAPOR 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000
SIMULATION SCIENCES INC. R PAGE P-7
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
—– TOTAL STREAM —–
RATE, LB-MOL/HR 220.000 250.000 385.487
M LB/HR 9.258 17.726 26.984
STD LIQ RATE, FT3/HR 285.908 199.653 432.966
TEMPERATURE, F 59.000 79.000 700.000
PRESSURE, PSIA 200.000 100.000 70.000
MOLECULAR WEIGHT 42.081 70.905 70.000
ENTHALPY, MM BTU/HR 0.138 2.126 8.798
BTU/LB 14.881 119.958 326.048
MOLE FRACTION LIQUID 1.0000 0.0000 0.0000
REDUCED TEMP (KAYS RULE) 0.7882 0.7174 1.4528
PRES (KAYS RULE) 0.2956 0.0894 0.0797
ACENTRIC FACTOR 0.1398 0.0688 0.1784
WATSON K (UOPK) 14.260 5.304 8.067
STD LIQ DENSITY, LB/FT3 32.380 88.785 62.323
SPECIFIC GRAVITY 0.5192 1.4236 0.9993
API GRAVITY 141.040 -32.105 10.097
——– VAPOR ———
RATE, LB-MOL/HR N/A 250.000 385.487
M LB/HR N/A 17.726 26.984
M FT3/HR N/A 13.250 67.950
STD VAP RATE(1), M FT3/HR N/A 94.871 146.286
SPECIFIC GRAVITY (AIR=1.0) N/A 2.448 2.417
MOLECULAR WEIGHT N/A 70.905 70.000
ENTHALPY, BTU/LB N/A 119.958 326.048
CP, BTU/LB-F N/A 0.125 0.316
DENSITY, LB/M FT3 N/A 1337.878 397.113
Z (FROM DENSITY) N/A 0.9168 0.9915
TH COND, BTU/HR-FT-F N/A 0.00516 0.01970
VISCOSITY, CP N/A 0.01348 0.02184
KVIS (VISC/DENS), CSTOKE N/A 0.6289 3.4341
(1) STANDARD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
SIMULATION SCIENCES INC. R PAGE P-8
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
——– LIQUID ——–
RATE, LB-MOL/HR 220.000 N/A N/A
M LB/HR 9.258 N/A N/A
FT3/HR 283.720 N/A N/A
GAL/MIN 35.373 N/A N/A
STD LIQ RATE, FT3/HR 285.908 N/A N/A
SPECIFIC GRAVITY (H2O=1.0) 0.5192 N/A N/A
MOLECULAR WEIGHT 42.081 N/A N/A
ENTHALPY, BTU/LB 14.881 N/A N/A
CP, BTU/LB-F 0.638 N/A N/A
DENSITY, LB/FT3 32.630 N/A N/A
Z (FROM DENSITY) 0.0463 N/A N/A
SURFACE TENSION, DYNE/CM 8.1549 N/A N/A
THERMAL COND, BTU/HR-FT-F 0.06039 N/A N/A
VISCOSITY, CP 0.10030 N/A N/A
KVIS (VISC/DENS), CSTOKE 0.1919 N/A N/A
Index
1 Input File
2 Solution History
3 Main
Index
Input File
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:39:22 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=700
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
Index
Input File
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:39:22 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=700
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
Index
Solution History
SIMULATION SCIENCES INC.
R
PAGE H-1
PROJECT
PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM
CALCULATION
HISTORY
02/09/23
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1
SOLVED – ‘R1

*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:36:05 02/09/23
NO ERRORS
FINISHED 13:36:05 02/09/23
NO WARNINGS
RUN TIMES
NO MESSAGES
INTERACTIVE
0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.10 SEC
TOTAL
0 MIN, 0.10 SEC
Index
Solution History
SIMULATION SCIENCES INC.
R
PAGE H-1
PROJECT
PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM
CALCULATION
HISTORY
02/09/23
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1
SOLVED – ‘R1

*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:36:05 02/09/23
NO ERRORS
FINISHED 13:36:05 02/09/23
NO WARNINGS
RUN TIMES
NO MESSAGES
INTERACTIVE
0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.10 SEC
TOTAL
0 MIN, 0.10 SEC
Index
CSTR (Summary)
UOM
Name
Description
Thermodynamic System
Feed Streams
Product Streams
R1
R1
R1
SRK01
S1 , S2
S3
Product Stream Phases
S3
Reactor Duty Calculated
Reference Temperature for heat of
reaction
Total Heat of Reaction
Reactor Volume
Space Time at Outlet Condition
Space Velocity at Outlet Condition
Inlet Pressure
Inlet Temperature
Outlet Pressure
Outlet Temperature
Feed Total Mass Rate
Feed Total Enthalpy
Product Total Mass Rate
Product Total Enthalpy
Stream (Summary)
Name
Description
Phase
Thermodynamic System
Total Molar Rate
Total Mass Rate
Temperature
Pressure
Total Molecular Weight
Total Specific Enthalpy
Total Cp
Total Molar Component Rates
BTU / hr
Vapor
-7194859.827
F
BTU / hr
ft3
hr
1 / hr
psia
F
psia
F
lb / hr
BTU / hr
lb / hr
BTU / hr
77
-13268021.13
10
N/A
N/A
100
52.11644144
70
700
26984.09134
2264170.576
27225.52337
8798072.398
UOM
lb-mol / hr
lb / hr
F
psia
BTU / lb
BTU / lb F
lb-mol / hr
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Total Molar Component Fractions
ACL
12PR
13PE
HCL
S1
S1
S1
Liquid
SRK01
220
9257.740554
59
200
42.08063889
14.88071893
0.637693758
0
0
0
0
220
0
fraction
0
0
0
0
PROPENE
CHLORINE
Vapor Molar Rate
Vapor Mass Rate
Vapor Molecular Weight
Vapor Mole Fraction
Vapor Specific Enthalpy
Vapor CP
Vapor Composition
lb-mol / hr
lb / hr
fraction
BTU / lb
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Vapor Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Total Liquid Molar Rate
Total Liquid Mass Rate
Total Liquid Molecular Weight
Total Liquid Mole Fraction
Total Liquid Specific Enthalpy
Total Liquid CP
Total Liquid Composition
N/A
N/A
N/A
N/A
N/A
N/A
lb-mol / hr
lb-mol / hr
lb / hr
fraction
BTU / lb
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Total Liquid Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liqud Molar Rate
Liquid Cp
Liquid Molecular Weight
Liquid Mole Fraction
Liquid Molar Enthalpy
Liquid Composition
ACL
12PR
13PE
HCL
1
0
N/A
N/A
N/A
0
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
220
9257.740554
42.08063889
1
14.88071893
0.637693758
0
0
0
0
1
0
lb-mol / hr
lb-mol / hr
BTU / lb F
fraction
BTU / lb-mol
fraction
0
0
0
0
220
0
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
PROPENE
CHLORINE
Liquid Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Decant Water Mole Rate
Decant Water Moleculat Weight
Water Mole Fraction
Decant Water Molar Enthalpy
Decant Water Cp
Liquid1 Mole Rate
Liquid1 Mole Frac
Liquid1 Molecular Weight
Liquid1 Molar Enthalpy
Liquid1 Cp
Liquid1 Composition
N/A
N/A
lb-mol / hr
lb-mol / hr
fraction
BTU / lb-mol
BTU / lb F
lb-mol / hr
fraction
BTU / lb-mol
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liquid1 Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liquid2 Mole Rate
Liquid2 Mole Frac
Liquid2 Molecular Weight
Liquid2 Molar Enthalpy
Liquid1 Cp
Liquid2 Composition
N/A
N/A
N/A
N/A
N/A
N/A
lb-mol / hr
lb-mol / hr
fraction
BTU / lb-mol
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liquid2 Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
lb-mol / hr
N/A
N/A
N/A
N/A
N/A
N/A
S2
S3
S2
S2
Vapor
SRK01
250
17726.35078
78.99999998
100
70.90540314
119.9572834
0.12481994
S3
S3
Vapor
SRK01
385.4870095
26984.08948
700
70
69.99999692
326.0466655
0.315771135
0
0
0
0
0
250
31.79630642
84.51299045
52.71668405
137.2296745
50.97401908
28.25733503
0
0
0
0
0.082483471
0.219236935
0.136753464
0.355990399
0
1
250
17726.35078
70.90540314
1
119.9572834
0.12481994
0.13223278
0.07330295
385.4870095
26984.08948
69.99999692
1
326.0466655
0.315771135
0
0
0
0
0
1
0.082483471
0.219236935
0.136753464
0.355990399
0.13223278
0.07330295
0
0
0
0
0
250
0
0
N/A
0
N/A
N/A
31.79630642
84.51299045
52.71668405
137.2296745
50.97401908
28.25733503
0
0
N/A
0
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
Index
1 Input File
2 Solution History
3 Main
Index
Input File
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:34:56 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=800
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
Index
Input File
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:34:56 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=800
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
Index
Solution History
SIMULATION SCIENCES INC.
R
PAGE H-1
PROJECT
PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM
CALCULATION
HISTORY
02/09/23
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1
SOLVED – ‘R1

*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:30:52 02/09/23
NO ERRORS
FINISHED 13:30:52 02/09/23
NO WARNINGS
RUN TIMES
NO MESSAGES
INTERACTIVE
0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.10 SEC
TOTAL
0 MIN, 0.10 SEC
Index
Solution History
SIMULATION SCIENCES INC.
R
PAGE H-1
PROJECT
PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM
CALCULATION
HISTORY
02/09/23
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1
SOLVED – ‘R1

*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:30:52 02/09/23
NO ERRORS
FINISHED 13:30:52 02/09/23
NO WARNINGS
RUN TIMES
NO MESSAGES
INTERACTIVE
0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.10 SEC
TOTAL
0 MIN, 0.10 SEC
Index
CSTR (Summary)
UOM
Name
Description
Thermodynamic System
Feed Streams
Product Streams
R1
R1
R1
SRK01
S1 , S2
S3
Product Stream Phases
S3
Reactor Duty Calculated
Reference Temperature for heat of
reaction
Total Heat of Reaction
Reactor Volume
Space Time at Outlet Condition
Space Velocity at Outlet Condition
Inlet Pressure
Inlet Temperature
Outlet Pressure
Outlet Temperature
Feed Total Mass Rate
Feed Total Enthalpy
Product Total Mass Rate
Product Total Enthalpy
Stream (Summary)
Name
Description
Phase
Thermodynamic System
Total Molar Rate
Total Mass Rate
Temperature
Pressure
Total Molecular Weight
Total Specific Enthalpy
Total Cp
Total Molar Component Rates
BTU / hr
Vapor
-7028827,664
F
BTU / hr
ft3
hr
1 / hr
psia
F
psia
F
lb / hr
BTU / hr
lb / hr
BTU / hr
77
-13983045,9
10
N/A
N/A
100
52,11644144
70
800,0000001
26984,09134
2264170,576
26984,08954
9702362,719
UOM
lb-mol / hr
lb / hr
F
psia
BTU / lb
BTU / lb F
lb-mol / hr
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Total Molar Component Fractions
ACL
12PR
13PE
HCL
S1
S1
S1
Liquid
SRK01
220
9257,740554
59
200
42,08063889
14,88071893
0,637693758
0
0
0
0
220
0
fraction
0
0
0
0
PROPENE
CHLORINE
Vapor Molar Rate
Vapor Mass Rate
Vapor Molecular Weight
Vapor Mole Fraction
Vapor Specific Enthalpy
Vapor CP
Vapor Composition
lb-mol / hr
lb / hr
fraction
BTU / lb
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Vapor Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Total Liquid Molar Rate
Total Liquid Mass Rate
Total Liquid Molecular Weight
Total Liquid Mole Fraction
Total Liquid Specific Enthalpy
Total Liquid CP
Total Liquid Composition
N/A
N/A
N/A
N/A
N/A
N/A
lb-mol / hr
lb-mol / hr
lb / hr
fraction
BTU / lb
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Total Liquid Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liqud Molar Rate
Liquid Cp
Liquid Molecular Weight
Liquid Mole Fraction
Liquid Molar Enthalpy
Liquid Composition
ACL
12PR
13PE
HCL
1
0
N/A
N/A
N/A
0
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
220
9257,740554
42,08063889
1
14,88071893
0,637693758
0
0
0
0
1
0
lb-mol / hr
lb-mol / hr
BTU / lb F
fraction
BTU / lb-mol
fraction
0
0
0
0
220
0
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
PROPENE
CHLORINE
Liquid Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Decant Water Mole Rate
Decant Water Moleculat Weight
Water Mole Fraction
Decant Water Molar Enthalpy
Decant Water Cp
Liquid1 Mole Rate
Liquid1 Mole Frac
Liquid1 Molecular Weight
Liquid1 Molar Enthalpy
Liquid1 Cp
Liquid1 Composition
N/A
N/A
lb-mol / hr
lb-mol / hr
fraction
BTU / lb-mol
BTU / lb F
lb-mol / hr
fraction
BTU / lb-mol
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liquid1 Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liquid2 Mole Rate
Liquid2 Mole Frac
Liquid2 Molecular Weight
Liquid2 Molar Enthalpy
Liquid1 Cp
Liquid2 Composition
N/A
N/A
N/A
N/A
N/A
N/A
lb-mol / hr
lb-mol / hr
fraction
BTU / lb-mol
BTU / lb F
fraction
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
Liquid2 Component Rate
ACL
12PR
13PE
HCL
PROPENE
CHLORINE
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
lb-mol / hr
N/A
N/A
N/A
N/A
N/A
N/A
S2
S3
S2
S2
Vapor
SRK01
250
17726,35078
78,99999998
100
70,90540314
119,9572834
0,12481994
S3
S3
Vapor
SRK01
382,0685407
26984,08954
800,0000001
70
70,62630567
359,5586467
0,328099187
0
0
0
0
0
250
29,38644522
87,93145923
58,54501402
146,4764733
44,1370815
15,59206748
0
0
0
0
0,076914067
0,230145772
0,153231705
0,383377477
0
1
250
17726,35078
70,90540314
1
119,9572834
0,12481994
0,115521371
0,040809608
382,0685407
26984,08954
70,62630567
1
359,5586467
0,328099187
0
0
0
0
0
1
0,076914067
0,230145772
0,153231705
0,383377477
0,115521371
0,040809608
0
0
0
0
0
250
0
0
N/A
0
N/A
N/A
29,38644522
87,93145923
58,54501402
146,4764733
44,1370815
15,59206748
0
0
N/A
0
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
N/A
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$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:41:14 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=900
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
SIMULATION SCIENCES INC. R PAGE H-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM CALCULATION
HISTORY 02/09/23
==============================================================================
*** PROBLEM SOLUTION BEGINS
FEED FLASH COMPLETE
UNIT 1 SOLVED – ‘R1 ‘
*** PROBLEM SOLUTION REACHED
*** THIS RUN USED 6.22 PRO/II SIMULATION UNITS
*** RUN STATISTICS
STARTED 13:40:14 02/09/23 NO ERRORS
FINISHED 13:40:14 02/09/23 NO WARNINGS
RUN TIMES NO MESSAGES
INTERACTIVE 0 MIN, 0.00 SEC
CALCULATIONS 0 MIN, 0.11 SEC
TOTAL 0 MIN, 0.11 SEC
SIMULATION SCIENCES INC. R PAGE I-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
INDEX 02/09/23
==============================================================================
PAGE CONTENTS
—— —————————————————————-
1 COMPONENT DATA
2 CALCULATION SEQUENCE AND RECYCLES
2 SEQUENCE MAP
3 PLANT MATERIAL BALANCE
CSTR SUMMARY
4 UNIT 1, ‘R1’
6 STREAM MOLAR COMPONENT RATES
7 STREAM SUMMARY
SIMULATION SCIENCES INC. R PAGE P-1
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
COMPONENT DATA 02/09/23
==============================================================================
COMPONENT COMP. TYPE PHASE MOL. WEIGHT API
——————— ———– ———– ———– ———–
1 ACL LIBRARY VAP/LIQ 76.525 18.366
2 12PR LIBRARY VAP/LIQ 112.986 -9.914
3 13PE LIBRARY VAP/LIQ 110.970 -15.943
4 HCL LIBRARY VAP/LIQ 36.461 35.475
5 PROPENE LIBRARY VAP/LIQ 42.081 141.040
6 CHLORINE LIBRARY VAP/LIQ 70.905 -32.105
COMPONENT NBP CRIT. TEMP. CRIT. PRES. CRIT. VOLM.
F F PSIA FT3/LB-MOL
——————— ———– ———– ———– ———–
1 ACL 113.270 465.800 683.127 3.7483
2 12PR 205.466 569.930 614.960 4.6614
3 13PE 233.600 608.540 634.865 4.5332
4 HCL -121.000 124.700 1205.263 1.2975
5 PROPENE -53.842 198.356 676.601 3.0179
6 CHLORINE -29.254 291.200 1118.241 1.9863
COMPONENT ACEN. FACT. HEAT FORM. G FORM.
BTU/LB-MOL BTU/LB-MOL
——————— ———– ———– ———–
1 ACL 0.14784 -269.99 18701.63
2 12PR 0.25639 -69991.40 -34471.20
3 13PE 0.29000 -8838.00 11909.97
4 HCL 0.13154 -39686.16 -40971.63
5 PROPENE 0.13982 8473.77 26719.69
6 CHLORINE 0.06882 0.00 0.00
COMPONENT DATABANK(S) USED
——————— ———————
1 ACL SIMSCI
2 12PR SIMSCI
3 13PE SIMSCI
4 HCL SIMSCI
5 PROPENE SIMSCI
6 CHLORINE SIMSCI
SIMULATION SCIENCES INC. R PAGE P-2
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CALCULATION SEQUENCE AND RECYCLES 02/09/23
==============================================================================
CALCULATION SEQUENCE
SEQ UNIT ID UNIT TYPE
— ———— ———-
1 R1 CSTR
SEQUENCE MAP
SEQ DESCRIPTION
—- —————————————–
1 CSTR ‘R1’
SIMULATION SCIENCES INC. R PAGE P-3
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
PLANT MATERIAL BALANCE 02/09/23
==============================================================================
FEED STREAMS: S1 S2
PRODUCT STREAMS: S3
OVERALL PLANT MOLAR BALANCE
—————- LB-MOL/HR —————- PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.000 27.989 27.989 0.000 0.00
2 12PR 0.000 89.651 89.651 0.000 0.00
3 13PE 0.000 61.662 61.662 0.000 0.00
4 HCL 0.000 151.313 151.313 0.000 0.00
5 PROPENE 220.000 -179.302 40.698 0.000 0.00
6 CHLORINE 250.000 -240.964 9.036 0.000 0.00
TOTAL 470.000 -89.651 380.349 0.000 0.00
OVERALL PLANT MASS BALANCE
—————— LB/HR —————— PERCENT
COMPONENT FEED +REACTION -PRODUCT =DEVIATION DEV
——————— ———- ———- ———- ———- ——-
1 ACL 0.00 2141.84 2141.84 0.00 0.00
2 12PR 0.00 10129.29 10129.29 0.00 0.00
3 13PE 0.00 6842.67 6842.67 0.00 0.00
4 HCL 0.00 5516.97 5516.97 0.00 0.00
5 PROPENE 9257.74 -7545.13 1712.61 0.00 0.00
6 CHLORINE 17726.35 -17085.64 640.71 0.00 0.00
TOTAL 26984.09 0.00 26984.09 0.00 0.00
SIMULATION SCIENCES INC. R PAGE P-4
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’
OPERATING CONDITIONS
REACTOR TYPE ISOTHERMAL
DUTY, MM BTU/HR -6.4898
TOTAL HEAT OF REACTION AT 77.00 F, MM BTU/HR -14.3517
VOLUME, FT3 10.0000
SPACE-TIME, HR AT OUTLET CONDITIONS 1.266E-04
SPACE-VELOCITY, /HR AT OUTLET CONDITIONS 7896.6883
INLET OUTLET
———– ———–
FEED S1
S2
VAPOR PRODUCT S3
TEMPERATURE, F 52.12 900.00
PRESSURE, PSIA 100.0000 70.0000
REACTION DATA
——— RATES, LB-MOL/HR ———- FRACTION
COMPONENT FEED CHANGE PRODUCT CONVERTED
—————— ———– ———– ———– ———–
1 ACL 0.0000 27.9886 27.9886
2 12PR 0.0000 89.6508 89.6508
3 13PE 0.0000 61.6623 61.6623
4 HCL 0.0000 151.3131 151.3131
5 PROPENE 220.0000 -179.3016 40.6984 0.8150
6 CHLORINE 250.0000 -240.9639 9.0361 0.9639
TOTAL 470.0000 -89.6508 380.3492
LB-MOL/HR /
FT3 FRACTION
BASE COMPONENT REACTION CONVERTED CONVERTED
—————— ———– ———– ———–
5 PROPENE 1 -8.9651 0.4075
5 PROPENE 2 -8.9651 0.4075
1 ACL 3 0.0000 -0.0274
REACTION -E/RT
———– ———–
1 -10.0031
2 -10.0031
3 -10.0031
SIMULATION SCIENCES INC. R PAGE P-5
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
CSTR SUMMARY 02/09/23
==============================================================================
UNIT 1, ‘R1’ (Cont)
REACTOR MASS BALANCE
———– Rates, LB/HR ———— Fraction
Component Feed Change Product Converted
——————– ———– ———– ———– ———–
1 ACL 0.0000 2141.8361 2141.8361
2 12PR 0.0000 10129.2873 10129.2873
3 13PE 0.0000 6842.6724 6842.6724
4 HCL 0.0000 5516.9714 5516.9714
5 PROPENE 9257.7406 -7545.1274 1712.6132 0.8150
6 CHLORINE 17726.3508 -17085.6416 640.7091 0.9639
TOTAL 26984.0913 0.0000 26984.0896
SIMULATION SCIENCES INC. R PAGE P-6
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM MOLAR COMPONENT RATES 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
FLUID RATES, LB-MOL/HR
1 ACL 0.0000 0.0000 27.9886
2 12PR 0.0000 0.0000 89.6508
3 13PE 0.0000 0.0000 61.6623
4 HCL 0.0000 0.0000 151.3131
5 PROPENE 220.0000 0.0000 40.6984
6 CHLORINE 0.0000 250.0000 9.0361
TOTAL RATE, LB-MOL/HR 220.0000 250.0000 380.3492
TEMPERATURE, F 59.0000 79.0000 900.0000
PRESSURE, PSIA 200.0000 100.0000 70.0000
ENTHALPY, MM BTU/HR 0.1378 2.1264 10.6220
MOLECULAR WEIGHT 42.0806 70.9054 70.9456
MOLE FRAC VAPOR 0.0000 1.0000 1.0000
MOLE FRAC LIQUID 1.0000 0.0000 0.0000
SIMULATION SCIENCES INC. R PAGE P-7
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
—– TOTAL STREAM —–
RATE, LB-MOL/HR 220.000 250.000 380.349
M LB/HR 9.258 17.726 26.984
STD LIQ RATE, FT3/HR 285.908 199.653 430.026
TEMPERATURE, F 59.000 79.000 900.000
PRESSURE, PSIA 200.000 100.000 70.000
MOLECULAR WEIGHT 42.081 70.905 70.946
ENTHALPY, MM BTU/HR 0.138 2.126 10.622
BTU/LB 14.881 119.958 393.640
MOLE FRACTION LIQUID 1.0000 0.0000 0.0000
REDUCED TEMP (KAYS RULE) 0.7882 0.7174 1.6897
PRES (KAYS RULE) 0.2956 0.0894 0.0799
ACENTRIC FACTOR 0.1398 0.0688 0.1873
WATSON K (UOPK) 14.260 5.304 8.059
STD LIQ DENSITY, LB/FT3 32.380 88.785 62.750
SPECIFIC GRAVITY 0.5192 1.4236 1.0061
API GRAVITY 141.040 -32.105 9.136
——– VAPOR ———
RATE, LB-MOL/HR N/A 250.000 380.349
M LB/HR N/A 17.726 26.984
M FT3/HR N/A 13.250 78.967
STD VAP RATE(1), M FT3/HR N/A 94.871 144.336
SPECIFIC GRAVITY (AIR=1.0) N/A 2.448 2.449
MOLECULAR WEIGHT N/A 70.905 70.946
ENTHALPY, BTU/LB N/A 119.958 393.640
CP, BTU/LB-F N/A 0.125 0.339
DENSITY, LB/M FT3 N/A 1337.878 341.711
Z (FROM DENSITY) N/A 0.9168 0.9960
TH COND, BTU/HR-FT-F N/A 0.00516 0.02428
VISCOSITY, CP N/A 0.01348 0.02495
KVIS (VISC/DENS), CSTOKE N/A 0.6289 4.5589
(1) STANDARD VAPOR VOLUME IS 379.48 FT3/LB-MOLE (60 F AND 14.696 PSIA)
SIMULATION SCIENCES INC. R PAGE P-8
PROJECT PRO/II VERSION 9.2 ELEC V9.0.6
PROBLEM OUTPUT
STREAM SUMMARY 02/09/23
==============================================================================
STREAM ID S1 S2 S3
NAME
PHASE LIQUID VAPOR VAPOR
THERMO ID SRK01 SRK01 SRK01
——– LIQUID ——–
RATE, LB-MOL/HR 220.000 N/A N/A
M LB/HR 9.258 N/A N/A
FT3/HR 283.720 N/A N/A
GAL/MIN 35.373 N/A N/A
STD LIQ RATE, FT3/HR 285.908 N/A N/A
SPECIFIC GRAVITY (H2O=1.0) 0.5192 N/A N/A
MOLECULAR WEIGHT 42.081 N/A N/A
ENTHALPY, BTU/LB 14.881 N/A N/A
CP, BTU/LB-F 0.638 N/A N/A
DENSITY, LB/FT3 32.630 N/A N/A
Z (FROM DENSITY) 0.0463 N/A N/A
SURFACE TENSION, DYNE/CM 8.1549 N/A N/A
THERMAL COND, BTU/HR-FT-F 0.06039 N/A N/A
VISCOSITY, CP 0.10030 N/A N/A
KVIS (VISC/DENS), CSTOKE 0.1919 N/A N/A
Index
1 Input File
2 Solution History
3 Main
Index
Input File
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:41:35 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
UNIT OPERATIONS
CSTR UID=R1
FEED S1,S2
PRODUCT M=S3
OPERATION VOLUME=10, PRESSURE=70, TEMPERATURE=900
FESTIMATE 6,2.5
RXSTOIC RXSET=1
REACTION 1
REACTION 2
REACTION 3
END
Index
Input File
$ Generated by PRO/II Keyword Generation System
$ Generated on: Thu Feb 09 13:41:35 2023
TITLE
SEQUENCE SIMSCI
COMPONENT DATA
LIBID 1,ACL/2,12PR/3,13PE/4,HCL/5,PROPENE/ &
6,CHLORINE, BANK=SIMSCI,PROCESS
PHASE VL=4,6
ASSAY FIT=ALTERNATE, CONVERSION=API94, CURVEFIT=CURRENT, &
KVRECONCILE=TAILS, FORMATION=CURRENT
THERMODYNAMIC DATA
METHOD SYSTEM=SRK, SET=SRK01, DEFAULT
WATER PROPERTY=IF97, TRANSPORT=IF97
STREAM DATA
PROPERTY STREAM=S1, TEMPERATURE=59, PRESSURE=200, PHASE=M, &
RATE(M)=220, COMPOSITION(M)=5,100, NORMALIZE
PROPERTY STREAM=S2, TEMPERATURE=79, PRESSURE=100, PHASE=M, &
RATE(M)=250, COMPOSITION(M)=6,100
RXDATA
RXSET ID=1
REACTION ID=1
STOICHIOMETRY 1,1/4,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=2
STOICHIOMETRY 2,1/5,-1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, ACTIVATION=27.01, &
TEXPONENT=0
KPHASE DEFAULT=V
REACTION ID=3
STOICHIOMETRY 1,-1/3,1/4,1/6,-1
KINETICS PEXP(F,LB,FT3,PSIA,HR)=3.36E12, AC…

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