Cumine

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+ + ASPEN PLUS CALCULATION REPORT + +
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ASPEN PLUS IS A TRADEMARK OF HOTLINE:

ASPEN TECHNOLOGY, INC. U.S.A. 888/996-7100
781/221-6400 EUROPE (44) 1189-226555
PLATFORM: WIN-X64 AUGUST 9, 2023

VERSION: 39.0 Build 116 WEDNESDAY
INSTALLATION: 10:21:02 A.M.
ASPEN PLUS PLAT: WIN-X64 VER: 39.0 08/09/2023 PAGE I
ASPEN PLUS (R) IS A PROPRIETARY PRODUCT OF ASPEN TECHNOLOGY, INC.

(ASPENTECH), AND MAY BE USED ONLY UNDER AGREEMENT WITH ASPENTECH.
RESTRICTED RIGHTS LEGEND: USE, REPRODUCTION, OR DISCLOSURE BY THE
U.S. GOVERNMENT IS SUBJECT TO RESTRICTIONS SET FORTH IN
(i) FAR 52.227-14, Alt. III, (ii) FAR 52.227-19, (iii) DFARS
252.227-7013(c)(1)(ii), or (iv) THE ACCOMPANYING LICENSE AGREEMENT,
AS APPLICABLE. FOR PURPOSES OF THE FAR, THIS SOFTWARE SHALL BE DEEMED
TO BE "UNPUBLISHED" AND LICENSED WITH DISCLOSURE PROHIBITIONS.
CONTRACTOR/SUBCONTRACTOR: ASPEN TECHNOLOGY, INC. 20 CROSBY DRIVE,
BEDFORD, MA 01730.
TABLE OF CONTENTS
RUN CONTROL SECTION.................................... 1

RUN CONTROL INFORMATION........................... 1
FLOWSHEET SECTION...................................... 2
FLOWSHEET CONNECTIVITY BY STREAMS................. 2
FLOWSHEET CONNECTIVITY BY BLOCKS.................. 2
CONVERGENCE STATUS SUMMARY........................ 2
CALCULATOR BLOCK: F-1........................... 2
CONVERGENCE BLOCK: $OLVER01...................... 3
COMPUTATIONAL SEQUENCE............................ 3
OVERALL FLOWSHEET BALANCE......................... 3
SENSITIVITY BLOCK SECTION.............................. 5

SENSITIVITY BLOCK: S-1........................... 5
PHYSICAL PROPERTIES SECTION............................ 7

COMPONENTS........................................ 7
U-O-S BLOCK SECTION.................................... 8

BLOCK: COOL MODEL: HEATER.................... 8
BLOCK: REACTOR MODEL: RSTOIC.................... 9
BLOCK: SEP MODEL: FLASH2.................... 10
STREAM SECTION......................................... 12
COOL-OUT FEED PRODUCT REAC-OUT RECYCLE............ 12
PROBLEM STATUS SECTION................................. 13

BLOCK STATUS...................................... 13
ASPEN PLUS PLAT: WIN-X64 VER: 39.0 08/09/2023 PAGE 1
RUN CONTROL SECTION
RUN CONTROL INFORMATION

-----------------------
THIS COPY OF ASPEN PLUS LICENSED TO CARNEGIE MELLON UNIV
TYPE OF RUN: NEW
INPUT FILE NAME: _2016jmv.inm
OUTPUT PROBLEM DATA FILE NAME: _2016jmv

LOCATED IN:
PDF SIZE USED FOR INPUT TRANSLATION:

NUMBER OF FILE RECORDS (PSIZE) = 0
NUMBER OF IN-CORE RECORDS = 256
PSIZE NEEDED FOR SIMULATION = 256
CALLING PROGRAM NAME: apmain

LOCATED IN: C:\Program Files\AspenTech\Aspen Plus V12.1\Engine\\xeq
SIMULATION REQUESTED FOR ENTIRE FLOWSHEET

FLOWSHEET SECTION
FLOWSHEET CONNECTIVITY BY STREAMS

---------------------------------
STREAM SOURCE DEST STREAM SOURCE DEST
FEED ---- REACTOR REAC-OUT REACTOR COOL
COOL-OUT COOL SEP RECYCLE SEP REACTOR
PRODUCT SEP ----
FLOWSHEET CONNECTIVITY BY BLOCKS

--------------------------------
BLOCK INLETS OUTLETS

REACTOR FEED RECYCLE REAC-OUT
COOL REAC-OUT COOL-OUT
SEP COOL-OUT RECYCLE PRODUCT
CONVERGENCE STATUS SUMMARY

--------------------------
TEAR STREAM SUMMARY

===================
STREAM VARIABLE MAXIMUM MAX. ERR. ABSOLUTE CONV

ID ID ERR/TOL RELATIVE ERROR STAT BLOCK
------ -------- -------- ------- --------- ---- -----
COOL-OUT BENZENE MOLEFLOW 0.15299 -0.15299E-04 0.38622E-08 # $OLVER01
# = CONVERGED
* = NOT CONVERGED
CALCULATOR BLOCK: F-1

-----------------------
SAMPLED VARIABLES:
DP : SENTENCE=PARAM VARIABLE=PRES IN UOS BLOCK COOL
FLOW : TOTAL MASSFLOW IN STREAM REAC-OUT SUBSTREAM MIXED
DENS : MASS DENSITY IN STREAM REAC-OUT SUBSTREAM MIXED
FORTRAN STATEMENTS:
VFLOW=FLOW/DENS
DP=-1E-9*VFLOW**2
C WRITE(NTERM,50) FLOW, DENS, VFLOW, DP
50 FORMAT(' FLOW=',F7.1,' DENS=',F7.4,
1 ' VFLOW=',F7.1,' DP=',F7.3)
READ VARIABLES: FLOW DENS
WRITE VARIABLES: DP
VALUES OF ACCESSED FORTRAN VARIABLES ON MOST RECENT SIMULATION PASS:

VARIABLE VALUE READ VALUE WRITTEN UNITS
-------- ---------- ------------- -----
DP -1.80108 -1.80109 PSIA
FLOW 4916.12 LB/HR
FLOWSHEET SECTION
CALCULATOR BLOCK: F-1 (CONTINUED)

DENS 0.115839 LB/CUFT
CONVERGENCE BLOCK: $OLVER01

----------------------------
Tear Stream : COOL-OUT
Tolerance used: 0.100D-03
Trace molefrac: 0.100D-05
MAXIT= 30 WAIT 1 ITERATIONS BEFORE ACCELERATING

QMAX = 0.0 QMIN = -5.0
METHOD: WEGSTEIN STATUS: CONVERGED
TOTAL NUMBER OF ITERATIONS: 140
NUMBER OF ITERATIONS ON LAST OUTER LOOP: 6
*** FINAL VALUES ***
VAR# TEAR STREAM VAR STREAM SUBSTREA COMPONEN UNIT VALUE

PREV VALUE ERR/TOL
---- ---------------- ------ -------- -------- ---- -----
---------- -------
1 TOTAL MOLEFLOW COOL-OUT MIXED LBMOL/HR 44.3503
44.3504 -1.9267-02
2 MOLE-FLOW COOL-OUT MIXED BENZENE LBMOL/HR 2.0036
2.0036 -0.1530
3 MOLE-FLOW COOL-OUT MIXED PROPYLEN LBMOL/HR 4.2275
4.2275 -1.3085-02
4 MOLE-FLOW COOL-OUT MIXED CUMENE LBMOL/HR 38.1193
38.1193 -1.2924-02
5 PRESSURE COOL-OUT MIXED PSIA 12.8949
12.8949 -9.1167-05
6 MASS ENTHALPY COOL-OUT MIXED BTU/LB -99.2507
-99.2505 -1.5134-02
*** ITERATION HISTORY ***
TEAR STREAMS AND TEAR VARIABLES:
ITERATION MAX-ERR/TOL VAR# STREAM ID VAR DESCRIPTION SUBSTREA COMPONEN

ATTRIBUT ELEMENT
--------- ----------- ---- --------- --------------- -------- --------
-------- -------
1 -0.1423E+06 6 COOL-OUT MASS ENT MIXED
2 0.3769E+05 2 COOL-OUT MOLE-FLO MIXED BENZENE
3 -1340. 2 COOL-OUT MOLE-FLO MIXED BENZENE
4 -166.2 2 COOL-OUT MOLE-FLO MIXED BENZENE
5 4.325 2 COOL-OUT MOLE-FLO MIXED BENZENE
6 -0.1530 2 COOL-OUT MOLE-FLO MIXED BENZENE
COMPUTATIONAL SEQUENCE
----------------------
SEQUENCE USED WAS:

S-1
| $OLVER01 SEP REACTOR F-1 COOL
| (RETURN $OLVER01)
(RETURN S-1)
FLOWSHEET SECTION
OVERALL FLOWSHEET BALANCE

-------------------------
*** MASS AND ENERGY BALANCE ***

IN OUT GENERATION RELATIVE DIFF.
CONVENTIONAL COMPONENTS
(LBMOL/HR)
BENZENE 40.0000 1.95242 -38.0476 -0.766326E-06
PROPYLEN 40.0000 1.95239 -38.0476 -0.138292E-06
CUMENE 0.00000 38.0477 38.0476 -0.129480E-05
TOTAL BALANCE
MOLE(LBMOL/HR) 80.0000 41.9525 -38.0476 -0.106811E-05
MASS(LB/HR ) 4807.77 4807.78 -0.177805E-05
ENTHALPY(BTU/HR ) 0.198860E+07 -511736. 1.25734
*** CO2 EQUIVALENT SUMMARY ***

FEED STREAMS CO2E 0.00000 LB/HR
PRODUCT STREAMS CO2E 0.00000 LB/HR
NET STREAMS CO2E PRODUCTION 0.00000 LB/HR
UTILITIES CO2E PRODUCTION 0.00000 LB/HR
TOTAL CO2E PRODUCTION 0.00000 LB/HR
SENSITIVITY BLOCK SECTION
SENSITIVITY BLOCK: S-1

-----------------------
SAMPLED VARIABLES:
PURITY : CUMENE MOLEFRAC IN STREAM PRODUCT SUBSTREAM MIXED
VARIED VARIABLES:
VARY 1: SENTENCE=PARAM VARIABLE=TEMP IN UOS BLOCK COOL
LOWER LIMIT = 100.0000 F
UPPER LIMIT = 275.0000 F
INCREMENT = 10.0000
TABULATED VARIABLES:
COLUMN 2: PURITY
---------------------------
! VARY 1 ! CUMENE !
! COOL ! PRODUCT !
! PARAM ! PURITY !
! TEMP ! !
! ! !
! F ! !
! ! !
!============!============!
! 100.0000 ! 0.8701 !
! 110.0000 ! 0.8841 !
! 120.0000 ! 0.8963 !
! 130.0000 ! 0.9069 !
! 140.0000 ! 0.9163 !
!------------+------------!
! 150.0000 ! 0.9246 !
! 160.0000 ! 0.9321 !
! 170.0000 ! 0.9388 !
! 180.0000 ! 0.9450 !
! 190.0000 ! 0.9506 !
!------------+------------!
! 200.0000 ! 0.9559 !
! 210.0000 ! 0.9609 !
! 220.0000 ! 0.9656 !
! 230.0000 ! 0.9701 !
! 240.0000 ! 0.9746 !
!------------+------------!
! 250.0000 ! 0.9791 !
! 260.0000 ! 0.9836 !
! 270.0000 ! 0.9885 !
! 275.0000 ! 0.9912 !
! 130.0000 ! 0.9069 !
---------------------------
SENSITIVITY BLOCK SECTION
SENSITIVITY BLOCK: S-1 (CONTINUED)
VALUES OF ACCESSED FORTRAN VARIABLES ON MOST RECENT SIMULATION PASS:

VARIABLE VALUE UNITS
-------- ----- -----
PURITY 0.906923
PHYSICAL PROPERTIES SECTION
COMPONENTS
----------
ID TYPE ALIAS NAME

BENZENE C C6H6 BENZENE
PROPYLEN C C3H6-2 PROPYLENE
CUMENE C C9H12-2 ISOPROPYLBENZENE
U-O-S BLOCK SECTION
BLOCK: COOL MODEL: HEATER

------------------------------
INLET STREAM: REAC-OUT
OUTLET STREAM: COOL-OUT
PROPERTY OPTION SET: SRK SOAVE-REDLICH-KWONG EQUATION OF STATE

IN OUT RELATIVE DIFF.
TOTAL BALANCE
MOLE(LBMOL/HR) 44.3503 44.3504 -0.192668E-05
MASS(LB/HR ) 4916.12 4916.13 -0.173887E-05
ENTHALPY(BTU/HR ) 0.201241E+07 -487928. 1.24246

*** INPUT DATA ***
TWO PHASE TP FLASH
SPECIFIED TEMPERATURE F 130.000
PRESSURE DROP PSI 1.80109
MAXIMUM NO. ITERATIONS 30
CONVERGENCE TOLERANCE 0.000100000
*** RESULTS ***

OUTLET TEMPERATURE F 130.00
OUTLET PRESSURE PSIA 12.895
HEAT DUTY BTU/HR -0.25003E+07
OUTLET VAPOR FRACTION 0.60196E-01
V-L PHASE EQUILIBRIUM :
COMP F(I) X(I) Y(I) K(I)

BENZENE 0.45176E-01 0.46548E-01 0.23758E-01 0.51040
PROPYLEN 0.95321E-01 0.41019E-01 0.94310 22.992
CUMENE 0.85950 0.91243 0.33145E-01 0.36326E-01
U-O-S BLOCK SECTION
BLOCK: REACTOR MODEL: RSTOIC

------------------------------
INLET STREAMS: FEED RECYCLE
OUTLET STREAM: REAC-OUT

IN OUT GENERATION RELATIVE DIFF.
TOTAL BALANCE
MOLE(LBMOL/HR) 82.3979 44.3503 -38.0476 -0.862331E-16
MASS(LB/HR ) 4916.12 4916.12 0.185003E-15
ENTHALPY(BTU/HR ) 0.201241E+07 0.201241E+07 0.00000
***
CO2 EQUIVALENT SUMMARY ***
*** INPUT DATA ***

STOICHIOMETRY MATRIX:
REACTION # 1:
SUBSTREAM MIXED :
BENZENE -1.00 PROPYLEN -1.00 CUMENE 1.00
REACTION CONVERSION SPECS: NUMBER= 1

REACTION # 1:
SUBSTREAM:MIXED KEY COMP:PROPYLEN CONV FRAC: 0.9000
TWO PHASE PQ FLASH

PRESSURE DROP PSI 0.0
SPECIFIED HEAT DUTY BTU/HR 0.0
SIMULTANEOUS REACTIONS
GENERATE COMBUSTION REACTIONS FOR FEED SPECIES NO
U-O-S BLOCK SECTION
BLOCK: REACTOR MODEL: RSTOIC (CONTINUED)
*** RESULTS ***

VAPOR FRACTION 1.0000
REACTION EXTENTS:
REACTION REACTION
NUMBER EXTENT
LBMOL/HR
1 38.048

BENZENE 0.45176E-01 0.45176E-01 0.45176E-01 54.516
PROPYLEN 0.95321E-01 0.95321E-01 0.95321E-01 138.48
CUMENE 0.85950 0.85950 0.85950 25.456
BLOCK: SEP MODEL: FLASH2

------------------------------
INLET STREAM: COOL-OUT
OUTLET VAPOR STREAM: RECYCLE
OUTLET LIQUID STREAM: PRODUCT

IN OUT RELATIVE DIFF.
TOTAL BALANCE
MOLE(LBMOL/HR) 44.3504 44.3504 0.160211E-15
MASS(LB/HR ) 4916.13 4916.13 0.185002E-15
ENTHALPY(BTU/HR ) -487928. -487928. -0.124191E-05

U-O-S BLOCK SECTION
BLOCK: SEP MODEL: FLASH2 (CONTINUED)
*** INPUT DATA ***

TWO PHASE PQ FLASH
SPECIFIED PRESSURE PSIA 14.6959
SPECIFIED HEAT DUTY BTU/HR 0.0
*** RESULTS ***

VAPOR FRACTION 0.54068E-01

BENZENE 0.45177E-01 0.46539E-01 0.21345E-01 0.45866
PROPYLEN 0.95321E-01 0.46538E-01 0.94878 20.387
CUMENE 0.85950 0.90692 0.29875E-01 0.32942E-01
STREAM SECTION
COOL-OUT FEED PRODUCT REAC-OUT RECYCLE
--------------------------------------
STREAM ID COOL-OUT FEED PRODUCT REAC-OUT RECYCLE

FROM : COOL ---- SEP REACTOR SEP
TO : SEP REACTOR ---- COOL REACTOR
CONV. MAX. REL. ERR: -1.5299-05 0.0 0.0 0.0 0.0

SUBSTREAM: MIXED
PHASE: MIXED VAPOR LIQUID VAPOR VAPOR
COMPONENTS: LBMOL/HR
BENZENE 2.0036 40.0000 1.9524 2.0036 5.1185-02
PROPYLEN 4.2275 40.0000 1.9524 4.2275 2.2751
CUMENE 38.1193 0.0 38.0477 38.1193 7.1640-02
COMPONENTS: MOLE FRAC
BENZENE 4.5177-02 0.5000 4.6539-02 4.5176-02 2.1345-02
PROPYLEN 9.5321-02 0.5000 4.6538-02 9.5321-02 0.9488
CUMENE 0.8595 0.0 0.9069 0.8595 2.9875-02
TOTAL FLOW:
LBMOL/HR 44.3504 80.0000 41.9525 44.3503 2.3979
LB/HR 4916.1274 4807.7712 4807.7797 4916.1189 108.3477
CUFT/HR 1388.3871 1.5648+04 92.6502 4.2439+04 1021.9306
STATE VARIABLES:
TEMP F 130.0000 220.0000 130.9929 857.5861 130.9929
PRES PSIA 12.8949 36.0000 14.6959 14.6959 14.6959
VFRAC 6.0196-02 1.0000 0.0 1.0000 1.0000
LFRAC 0.9398 0.0 1.0000 0.0 0.0
SFRAC 0.0 0.0 0.0 0.0 0.0
ENTHALPY:
BTU/LBMOL -1.1002+04 2.4857+04 -1.2198+04 4.5375+04 9928.8448
BTU/LB -99.2505 413.6213 -106.4392 409.3484 219.7451
BTU/HR -4.8793+05 1.9886+06 -5.1174+05 2.0124+06 2.3809+04
ENTROPY:
BTU/LBMOL-R -115.7800 -31.5831 -120.4596 -50.8583 -34.2054
BTU/LB-R -1.0445 -0.5255 -1.0511 -0.4588 -0.7570
DENSITY:
LBMOL/CUFT 3.1944-02 5.1126-03 0.4528 1.0450-03 2.3465-03
LB/CUFT 3.5409 0.3073 51.8918 0.1158 0.1060
AVG MW 110.8474 60.0971 114.6006 110.8474 45.1835
PROBLEM STATUS SECTION
BLOCK STATUS
------------
****************************************************************************
* *
* Calculations were completed normally *
* *
* All Unit Operation blocks were completed normally *
* *
* All streams were flashed normally *
* *
* All Convergence blocks were completed normally *
* *
* All Sensitivity blocks were completed normally *
* *
* All Calculator blocks were completed normally *
* *
****************************************************************************

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ASPEN PLUS IS A TRADEMARK OF HOTLINE:

PLATFORM: WIN-X64 AUGUST 9, 2023

ASPEN PLUS PLAT: WIN-X64 VER: 39.0 08/09/2023 PAGE I

ASPEN PLUS (R) IS A PROPRIETARY PRODUCT OF ASPEN TECHNOLOGY, INC.

RUN CONTROL SECTION.................................... 1

SENSITIVITY BLOCK SECTION.............................. 5

PHYSICAL PROPERTIES SECTION............................ 7

U-O-S BLOCK SECTION.................................... 8

PROBLEM STATUS SECTION................................. 13

ASPEN PLUS PLAT: WIN-X64 VER: 39.0 08/09/2023 PAGE 1

RUN CONTROL SECTION

RUN CONTROL INFORMATION

THIS COPY OF ASPEN PLUS LICENSED TO CARNEGIE MELLON UNIV

TYPE OF RUN: NEW

INPUT FILE NAME: _2016jmv.inm

OUTPUT PROBLEM DATA FILE NAME: _2016jmv

PDF SIZE USED FOR INPUT TRANSLATION:

CALLING PROGRAM NAME: apmain

SIMULATION REQUESTED FOR ENTIRE FLOWSHEET

FLOWSHEET CONNECTIVITY BY STREAMS

FLOWSHEET CONNECTIVITY BY BLOCKS

BLOCK INLETS OUTLETS

CONVERGENCE STATUS SUMMARY

TEAR STREAM SUMMARY

STREAM VARIABLE MAXIMUM MAX. ERR. ABSOLUTE CONV

CALCULATOR BLOCK: F-1

READ VARIABLES: FLOW DENS

VALUES OF ACCESSED FORTRAN VARIABLES ON MOST RECENT SIMULATION PASS:

CALCULATOR BLOCK: F-1 (CONTINUED)

CONVERGENCE BLOCK: $OLVER01

MAXIT= 30 WAIT 1 ITERATIONS BEFORE ACCELERATING

*** FINAL VALUES ***

VAR# TEAR STREAM VAR STREAM SUBSTREA COMPONEN UNIT VALUE

*** ITERATION HISTORY ***

TEAR STREAMS AND TEAR VARIABLES:

ITERATION MAX-ERR/TOL VAR# STREAM ID VAR DESCRIPTION SUBSTREA COMPONEN

2 0.3769E+05 2 COOL-OUT MOLE-FLO MIXED BENZENE

3 -1340. 2 COOL-OUT MOLE-FLO MIXED BENZENE

4 -166.2 2 COOL-OUT MOLE-FLO MIXED BENZENE

5 4.325 2 COOL-OUT MOLE-FLO MIXED BENZENE

6 -0.1530 2 COOL-OUT MOLE-FLO MIXED BENZENE

SEQUENCE USED WAS:

OVERALL FLOWSHEET BALANCE

*** MASS AND ENERGY BALANCE ***

*** CO2 EQUIVALENT SUMMARY ***

SENSITIVITY BLOCK: S-1

SENSITIVITY BLOCK SECTION

SENSITIVITY BLOCK: S-1 (CONTINUED)

VALUES OF ACCESSED FORTRAN VARIABLES ON MOST RECENT SIMULATION PASS:

PHYSICAL PROPERTIES SECTION

ID TYPE ALIAS NAME

U-O-S BLOCK SECTION

BLOCK: COOL MODEL: HEATER

*** MASS AND ENERGY BALANCE ***

*** CO2 EQUIVALENT SUMMARY ***

*** RESULTS ***

V-L PHASE EQUILIBRIUM :

COMP F(I) X(I) Y(I) K(I)

U-O-S BLOCK SECTION

BLOCK: REACTOR MODEL: RSTOIC

*** MASS AND ENERGY BALANCE ***

*** INPUT DATA ***

REACTION CONVERSION SPECS: NUMBER= 1

TWO PHASE PQ FLASH

* FINAL VALUES *

* ITERATION HISTORY *

* MASS AND ENERGY BALANCE *

* CO2 EQUIVALENT SUMMARY *

* MASS AND ENERGY BALANCE *

* CO2 EQUIVALENT SUMMARY *

* RESULTS *

* MASS AND ENERGY BALANCE *

* INPUT DATA *

* RESULTS *

* MASS AND ENERGY BALANCE *

* CO2 EQUIVALENT SUMMARY *

* INPUT DATA *

* RESULTS *