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Process Simulation Laboratory

Problem Statement 1:In acetic anhydride manufacturing, the cracking of acetone produces ketene and methane according to the following irreversible vapour-phase reaction: CH3COCH3 CH2 CO + CH4 (ACETONE) (KETENE) (METHANE) This reaction is first-order with respect to acetone. Pure acetone feed with a flow rate of 130 kmol/h enters a PFR at 725oc and 1.5 atm. The kinetic data for the Aspen Plus simulation are given below K = 1.1 s-1 E = 28.5 * 10^7 J/kmol N = 0 T0 = 980 K The unit of pre-exponential factor clearly indicates the basis. To use the Langmuir Hinshelwood Hougen Watson (LHHM) kinetic model, set zero for all coefficients under term1 and that for all coefficient except A under term 2. Take a very large negative value for coefficient A. the sample adiabatic PFR is 3m in length and 0.6 m in diameter. Applying the SYSOPO base method, compute the component mole fraction in the product stream.Solved Using Aspen Plus V 11.1Result:

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 1 SIMULATION 1 RUN CONTROL SECTION

RUN CONTROL INFORMATION -----------------------

THIS COPY OF ASPEN PLUS LICENSED TO

TYPE OF RUN: NEW

INPUT FILE NAME: _0644hbh.inm

OUTPUT PROBLEM DATA FILE NAME: _1057phs VERSION NO. 1 LOCATED IN: PDF SIZE USED FOR INPUT TRANSLATION: NUMBER OF FILE RECORDS (PSIZE) = 0 NUMBER OF IN-CORE RECORDS = 256 PSIZE NEEDED FOR SIMULATION = 1

CALLING PROGRAM NAME: apmain LOCATED IN: C:\PROGRA~2\ASPENT~1\ASPENP~1.1\Engine\xeq

SIMULATION REQUESTED FOR ENTIRE FLOWSHEET

DESCRIPTION -----------

GENERAL SIMULATION WITH ENGLISH UNITS : F, PSI, LB/HR, LBMOL/HR, BTU/HR, CUFT/HR. PROPERTY METHOD: NONE FLOW BASIS FOR INPUT: MOLE STREAM REPORT COMPOSITION: MOLE FLOW

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 2 SIMULATION 1 FLOWSHEET SECTION

FLOWSHEET CONNECTIVITY BY STREAMS ---------------------------------

STREAM SOURCE DEST STREAM SOURCE DEST FEED ---- B6 PRODUCT B6 ----

FLOWSHEET CONNECTIVITY BY BLOCKS --------------------------------

BLOCK INLETS OUTLETS B6 FEED PRODUCT

COMPUTATIONAL SEQUENCE ----------------------

SEQUENCE USED WAS: B6

OVERALL FLOWSHEET BALANCE -------------------------

*** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. CONVENTIONAL COMPONENTS (LBMOL/HR) ACETO-01 286.601 203.987 -82.6135 0.000000E+00 KETEN-01 0.000000E+00 82.6135 82.6135 0.000000E+00 METHA-01 0.000000E+00 82.6135 82.6135 0.000000E+00

TOTAL BALANCEMOLE (LBMOL/HR) 286.601 369.214 82.6135 -0.769789E-16MASS (LB/HR ) 16645.8 16645.8 -0.113647E-13ENTHALPY (BTU/HR) -0.158240E+08 -0.158240E+08 0.235420E-15

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 3 SIMULATION 1 PHYSICAL PROPERTIES SECTION

COMPONENTS ----------

ID TYPE FORMULA NAME OR ALIAS REPORT NAME ACETO-01 C C3H6O-1 C3H6O-1 ACETO-01 KETEN-01 C C2H2O C2H2O KETEN-01 METHA-01 C CH4 CH4 METHA-01

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 4 SIMULATION 1 REACTION SECTION

REACTION: R-1 TYPE: LHHW --------------------------------

Unit operations referencing this reaction model:

Reactor Name: B6 Block Type: RPLUG

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 5 SIMULATION 1 U-O-S BLOCK SECTION

BLOCK: B6 MODEL: RPLUG ----------------------------- INLET STREAM: FEED OUTLET STREAM: PRODUCT PROPERTY OPTION SET: SYSOP0 IDEAL LIQUID / IDEAL GAS

*** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. TOTAL BALANCEMOLE (LBMOL/HR) 286.601 369.214 82.6135 -0.769789E-16MASS (LB/HR ) 16645.8 16645.8 -0.113647E-13ENTHALPY (BTU/HR) -0.158240E+08 -0.158240E+08 0.235420E-15 *** INPUTDATA ***

REACTOR TYPE: ADIABATIC VAPOR FLUID PHASE REACTOR TUBE LENGTH FT 9.8425 DIAMETER FT 1.9685 NUMBER OF REACTOR TUBES 1 REACTOR VOLUME CUFT 29.955 ERROR TOLERANCE 0.10000E-03 INTEGRATION METHOD GEAR CORRECTOR METHOD NEWTON INITIAL STEP SIZE FACTOR 0.10000E-01 CORRECTOR TOLERANCE FACTOR 0.10000 MAXIMUM NUMBER OF STEPS 1000

REACTION PARAGRAPH ID: R-1 TYPE: LHHW GLOBAL BASES: KBASIS MOLE-GAMMA CBASIS MOLARITY SBASIS GLOBAL

STOICHIOMETRY:

REACTION NUMBER: 1 SUBSTREAM: MIXED ACETO-01 -1.0000 KETEN-01 1.0000 METHA-01 1.0000

REAC-DATA ENTRIES:

REACTION NO TYPE PHASE DELT BASIS F

1 KINETIC V 0.00000E+00 MOLARITY

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 6 SIMULATION 1 U-O-S BLOCK SECTION

BLOCK: B6 MODEL: RPLUG (CONTINUED)

RATE PARAMETERS:

REACTION NO PREEXP. FACTOR ACT. ENERGY TEMP. EXPONENT REF. TEMP BTU/LBMO F

1 1.1000 0.12253E+06 0.00000E+00 1304.3

DRIVING FORCE 1 EQUILIBRIUM VALUES:

REACTION NO A B C D

1 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00

DRIVING FORCE 2 EQUILIBRIUM VALUES:

REACTION NO A B C D

1 -0.10000E+10 0.00000E+00 0.00000E+00 0.00000E+00

*** RESULTS ***

REACTOR DUTY BTU/HR -0.31778E-08 RESIDENCE TIME HR 0.11269E-03 REACTOR MINIMUM TEMPERATURE F 1021.7 REACTOR MAXIMUM TEMPERATURE F 1337.0

*** RESULTS PROFILE (PROCESS STREAM) ***

LENGTH PRESSURE TEMPERATURE VAPOR FRAC RES-TIME FT PSI F HR

0.00000E+00 22.044 1337.0 1.0000 0.00000E+00 0.98425 22.044 1114.5 1.0000 0.11378E-04 1.9685 22.044 1085.4 1.0000 0.22662E-04 2.9528 22.044 1068.9 1.0000 0.33928E-04 3.9370 22.044 1057.4 1.0000 0.45186E-04 4.9213 22.044 1048.5 1.0000 0.56440E-04 5.9055 22.044 1041.4 1.0000 0.67692E-04 6.8898 22.044 1035.4 1.0000 0.78942E-04 7.8740 22.044 1030.2 1.0000 0.90192E-04 8.8583 22.044 1025.7 1.0000 0.10144E-03 9.8425 22.044 1021.7 1.0000 0.11269E-03

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 7 SIMULATION 1 U-O-S BLOCK SECTION

BLOCK: B6 MODEL: RPLUG (CONTINUED)

*** TOTAL MOLE FRACTION PROFILE (PROCESS STREAM) ***

LENGTH ACETO-01 KETEN-01 METHA-01 FT 0.00000E+00 1.0000 0.00000E+00 0.00000E+00 0.98425 0.65713 0.17143 0.17143 1.9685 0.62246 0.18877 0.18877 2.9528 0.60354 0.19823 0.19823 3.9370 0.59066 0.20467 0.20467 4.9213 0.58098 0.20951 0.20951 5.9055 0.57327 0.21337 0.21337 6.8898 0.56686 0.21657 0.21657 7.8740 0.56140 0.21930 0.21930 8.8583 0.55667 0.22167 0.22167 9.8425 0.55249 0.22375 0.22375

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 8 SIMULATION 1 STREAM SECTION

FEED PRODUCT ------------

STREAM ID FEED PRODUCT FROM: ---- B6 TO : B6 ----

SUBSTREAM: MIXED PHASE: VAPOR VAPOR COMPONENTS: LBMOL/HR ACETO-01 286.6009 203.9875 KETEN-01 0.0 82.6135 METHA-01 0.0 82.6135 TOTAL FLOW: LBMOL/HR 286.6009 369.2144 LB/HR 1.6646+04 1.6646+04 CUFT/HR 2.5068+05 2.6627+05 STATE VARIABLES: TEMP F 1337.0000 1021.7170 PRES PSI 22.0439 22.0439 VFRAC 1.0000 1.0000 LFRAC 0.0 0.0 SFRAC 0.0 0.0 ENTHALPY: BTU/LBMOL -5.5213+04 -4.2859+04 BTU/LB -950.6330 -950.6330 BTU/HR -1.5824+07 -1.5824+07 ENTROPY: BTU/LBMOL-R -18.9728 -10.9544 BTU/LB-R -0.3267 -0.2430

DENSITY: LBMOL/CUFT 1.1433-03 1.3866-03 LB/CUFT 6.6403-02 6.2516-02 AVG MW 58.0800 45.0844

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 9 SIMULATION 1 PROBLEM STATUS SECTION

BLOCK STATUS ------------ **************************************************************************** * Calculations were completed normally * * * * All Unit Operation blocks were completed normally * * * * All streams were flashed normally * ****************************************************************************

Problem Statement 2:Pyrolysis of BenzeneDi-phenyl (C12H10) is an important industrial intermediate. One production scheme involves the pyrolytic dehydrogenetation of benzene (C6H6). During the process, tri-phenyl (C18H14) is also formed by a secondary reaction.The reactions are as follows:(1) 2 C6H6 C12H10 + H2(2) C6H6 +C12H10 C18H14 + H2Substituting the symbolic IDs A = C6H6, B = C12H10, C = C18H14, D = H2(3) 2 A B + D(4) A + B C + DMurphy, lamb and Watson presented some laboratory data regarding these reactions originally carried out by Kassell. In these experiments, liquid benzene was vaporized, heated to the reaction temperature and fed to a plug flow reactor (PFR). The product stream is condensed and analysed for various components.Additional DataA = C6H6B = C12H10C = C18H14D = H2The reactor tube dimensions:L = 37.5 in, D = 0.5 inRate Laws -r1A = k1A (p2A pB pD /K1A)-r2B = k2B (pApB pCpD/K2B)Specific reaction rate constantsk1A = A1 exp (-E1/RT)k2B = A2 exp (-E2/RT)Equilibrium constantsln K1A = A + B/T + C ln (T) + DT + ET2ln K2B = A + B/T + C ln (T) + DT + ET2Parameter ValuesE1 = 30190 cal/molA1 = 7.4652E6 lbmole/h/ft3/atm2E2 = 30190 cal/molA2 = 8.6630E6 lbmole/h/ft3/atm2A = -19.76A = -28.74B = -1692B = 742C = 3.13C = 4.32D = -1.63E-3D = -3.15E-3E = 1.96E-7E = 5.08E-7

P = 14.69595 psiR = 1.987 cal/mol/K

Solved Using Aspen Plus V 11.1 Result:

BLOCK: REACTOR MODEL: RPLUG ----------------------------- INLET STREAM: INPUT OUTLET STREAM: OUTPUT PROPERTY OPTION SET: SYSOP0 IDEAL LIQUID / IDEAL GAS *********************************************************************** * * * REACTION RATE IS SET TO ZERO FOR SOME REACTIONS * * * ***********************************************************************

*** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. TOTAL BALANCEMOLE (LBMOL/HR) 0.682000E-01 0.682000E-01 0.756292E-16 0.110893E-14MASS (LB/HR ) 5.32735 5.32735 0.000000E+00ENTHALPY (BTU/HR) 5955.17 5955.17 0.000000E+00

*** INPUTDATA *** REACTOR TYPE: SPECIFIED TEMPERATURE VAPOR FLUID PHASE REACTOR TUBE LENGTH FT 3.1250 DIAMETER FT 0.41667E-01 NUMBER OF REACTOR TUBES 1 REACTOR VOLUME CUFT 0.42611E-02 ERROR TOLERANCE 0.10000E-03 INTEGRATION METHOD GEAR CORRECTOR METHOD NEWTON INITIAL STEP SIZE FACTOR 0.10000E-01 CORRECTOR TOLERANCE FACTOR 0.10000 MAXIMUM NUMBER OF STEPS 1000

CONSTANT REACTOR TEMPERATURE SET TO THE (MIXED) INLET PROCESS STREAM TEMPERATURE OF 1400.0 F

REACTION PARAGRAPH ID: R-1 TYPE: POWERLAW GLOBAL BASES: KBASIS MOLE-GAMMA CBASIS MOLARITY SBASIS GLOBAL

STOICHIOMETRY: REACTION NUMBER: 1 SUBSTREAM: MIXED C6H6 -1.0000 C12H10 0.50000 H2 0.50000

REACTION NUMBER: 2 SUBSTREAM: MIXED C6H6 1.0000 C12H10 -0.50000 H2 -0.50000 REACTION NUMBER: 3 SUBSTREAM: MIXED C6H6 -1.0000 C12H10 -1.0000 H2 1.0000 C18H14 1.0000

REACTION NUMBER: 4 SUBSTREAM: MIXED C6H6 1.0000 C12H10 1.0000 H2 -1.0000 C18H14 -1.0000

REAC-DATA ENTRIES: REACTION NO TYPE PHASE DELT BASIS F 1 KINETIC V 0.00000E+00 PARTIALPRES 2 KINETIC V 0.00000E+00 PARTIALPRES 3 KINETIC V 0.00000E+00 PARTIALPRES 4 KINETIC V 0.00000E+00 PARTIALPRES

RATE PARAMETERS: REACTION NO PREEXP. FACTOR ACT. ENERGY TEMP. EXPONENT REF. TEMP BTU/LBMO F 1 0.32350E-05 54342. 0.00000E+00 2 0.10205E-04 54342. 0.00000E+00 3 0.37545E-05 54342. 0.00000E+00 4 0.79544E-05 54342. 0.00000E+00

POWERLAW EXPONENTS: REACTION NUMBER: 1 SUBSTREAM: MIXED C6H6 2.0000

REACTION NUMBER: 2 SUBSTREAM: MIXED C12H10 1.0000 H2 1.0000

REACTION NUMBER: 3 SUBSTREAM: MIXED H2 1.0000 C18H14 1.0000

REACTION NUMBER: 4 SUBSTREAM: MIXED C6H6 1.0000 C12H10 1.0000 *** RESULTS *** REACTOR DUTY BTU/HR 63.881 RESIDENCE TIME HR 0.46008E-04 REACTOR MINIMUM TEMPERATURE F 1400.0 REACTOR MAXIMUM TEMPERATURE F 1400.0

*** RESULTS PROFILE (PROCESS STREAM) *** LENGTH PRESSURE TEMPERATURE VAPOR FRAC RES-TIME FT PSI F HR 0.00000E+00 14.696 1400.0 1.0000 0.00000E+00 0.31250 14.696 1400.0 1.0000 0.46008E-05 0.62500 14.696 1400.0 1.0000 0.92017E-05 0.93750 14.696 1400.0 1.0000 0.13803E-04 1.2500 14.696 1400.0 1.0000 0.18403E-04 1.5625 14.696 1400.0 1.0000 0.23004E-04 1.8750 14.696 1400.0 1.0000 0.27605E-04 2.1875 14.696 1400.0 1.0000 0.32206E-04 2.5000 14.696 1400.0 1.0000 0.36807E-04 2.8125 14.696 1400.0 1.0000 0.41408E-04 3.1250 14.696 1400.0 1.0000 0.46008E-04

*** TOTAL MOLE FRACTION PROFILE (PROCESS STREAM) *** LENGTH C6H6 C12H10 H2 FT 0.00000E+00 1.0000 0.00000E+00 0.00000E+00 0.31250 0.98140 0.93009E-02 0.93009E-02 0.62500 0.96347 0.18266E-01 0.18266E-01 0.93750 0.94619 0.26903E-01 0.26903E-01 1.2500 0.92955 0.35224E-01 0.35224E-01 1.5625 0.91352 0.43239E-01 0.43239E-01 1.8750 0.89808 0.50962E-01 0.50962E-01 2.1875 0.88319 0.58405E-01 0.58405E-01 2.5000 0.86885 0.65574E-01 0.65574E-01 2.8125 0.85503 0.72483E-01 0.72483E-01 3.1250 0.84172 0.79140E-01 0.79140E-01

Graph

Problem Statement 3:Ibuprofen is produced from the reactants isobutyl benzene, acetic anhydride, hydrogen, and carbon monoxide. The overall reaction is defined asC10H14 + C4H6O3 + H2 + CO CH3COOH + C13H18O2With an estimated kinetic rate expression ofrIBU = k [C10H14]2[C4H6O3] [H2] [CO]where k = 0.349 m12/mol3s. As with many pharmaceuticals, the production of Ibuprofen is carried out in a semi-batch reactor. A 2 m3 reactor is charged with equal molar amounts of isobutyl benzene and acetic anhydride. The reactor is pressurized to 1.4e7 Pa with equal molar hydrogen and carbon monoxide gas at 4e-2 kg/s. All components are heated to 410 K before introduced into the system, where the temperature is held constant.Determine the amount of time required to achieve a conversion of 90% with respect to isobutyl benzene.

Solved Using Aspen Plus V 11.1Result:ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 1 SIMULATION 3 RUN CONTROL SECTION

RUN CONTROL INFORMATION -----------------------

TYPE OF RUN: NEW

INPUT FILE NAME: _0806taz.inm

OUTPUT PROBLEM DATA FILE NAME: _0806taz VERSION NO. 1 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:\PROGRA~2\ASPENT~1\ASPENP~1.1\Engine\xeq

SIMULATION REQUESTED FOR ENTIRE FLOWSHEET

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 2 SIMULATION 3 FLOWSHEET SECTION

FLOWSHEET CONNECTIVITY BY STREAMS ---------------------------------

STREAM SOURCE DEST STREAM SOURCE DEST 4 ---- B1 1 ---- B1 5 B1 ----

FLOWSHEET CONNECTIVITY BY BLOCKS --------------------------------

BLOCK INLETS OUTLETS B1 1 4 5

COMPUTATIONAL SEQUENCE ----------------------

SEQUENCE USED WAS: B1

OVERALL FLOWSHEET BALANCE -------------------------

*** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. CONVENTIONAL COMPONENTS (LBMOL/HR) ISOBU-01 200.191 0.975134E-02 -200.181 -0.843659E-16 HYDRO-01 5.28646 5.19870 -0.877656E-01 -0.270391E-15 ACETI-01 200.191 0.975134E-02 -200.181 -0.210741E-16 CARBO-01 5.28646 5.19870 -0.877656E-01 -0.333395E-15 ACETI-02 0.000000E+00 0.877656E-01 0.877656E-01 0.000000E+00 IBUPR-01 0.000000E+00 0.877656E-01 0.877656E-01 0.000000E+00 TOTAL BALANCEMOLE (LBMOL/HR) 410.955 10.5924 -400.362 0.778053E-16MASS (LB/HR ) 47466.0 181.777 0.996170 ENTHALPY (BTU/HR) -0.457975E+08 -270126. -0.994102

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 3 SIMULATION 3 PHYSICAL PROPERTIES SECTION

COMPONENTS ----------

ID TYPE FORMULA NAME OR ALIAS REPORT NAME ISOBU-01 C C10H14-2 C10H14-2 ISOBU-01 HYDRO-01 C H2 H2 HYDRO-01 ACETI-01 C C4H6O3 C4H6O3 ACETI-01 CARBO-01 C CO CO CARBO-01 ACETI-02 C C2H4O2-1 C2H4O2-1 ACETI-02 IBUPR-01 C C13H18O2 C13H18O2 IBUPR-01

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 4 SIMULATION 3 REACTION SECTION

REACTION: R-1 TYPE: POWERLAW ------------------------------------

Unit operations referencing this reaction model:

Reactor Name: B1 Block Type: RBATCH

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 5 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH ------------------------------ INLET STREAMS: 1 4 OUTLET STREAM: 5 PROPERTY OPTION SET: WILSON WILSON / IDEAL GAS

*** MASS AND ENERGY BALANCE *** IN OUT GENERATION RELATIVE DIFF. TOTAL BALANCEMOLE (LBMOL/HR) 410.955 10.5924 -400.362 0.734827E-16MASS (LB/HR ) 47466.0 181.777 0.996170 ENTHALPY (BTU/HR) -0.457975E+08 -270126. -0.994102

*** INPUTDATA ***

REACTOR TYPE: CONSTANT TEMPERATURE 2 PHASE: RXN IN LIQUID PHASE DO FLASH CALCULATIONS AT EACH TIME STEP REACTOR DOWNTIME HR 0.00000E+00 FEED-TIME HR 0.27778E-03 SET POINT TEMPERATURE F 278.33 INTEGRATION TOLERANCE 0.10000E-03 INTEGRATION METHOD GEAR CORRECTOR METHOD NEWTON VENT ALGORITHM OLD

GAIN TERM FOR CONTROLLER 2500.0 INT-TIME TERM FOR CONTROLLER 0.10000E+36 DER-TIME TERM FOR CONTROLLER 0.00000E+00

STOP CRITERIA

CRITERION 1 : REACTOR CONVERSION OF ISOBU-01IN SUBSTREAM MIXED REACHES 0.90000 FROM-BELOW

MAXIMUM TIME HR 24.000

REACTION PARAGRAPH ID: R-1 TYPE: POWERLAW GLOBAL BASES: KBASIS MOLE-GAMMA CBASIS MOLARITY SBASIS GLOBAL

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 6 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED) STOICHIOMETRY:

REACTION NUMBER: 1 SUBSTREAM: MIXED ISOBU-01 -1.0000 HYDRO-01 -1.0000 ACETI-01 -1.0000 CARBO-01 -1.0000 ACETI-02 1.0000 IBUPR-01 1.0000

REAC-DATA ENTRIES:

REACTION NO TYPE PHASE DELT BASIS F

1 KINETIC L 0.00000E+00 MOLARITY

RATE PARAMETERS:

REACTION NO PREEXP. FACTOR ACT. ENERGY TEMP. EXPONENT REF. TEMP BTU/LBMO F

1 0.34900 0.00000E+00 0.00000E+00

POWERLAW EXPONENTS:

REACTION NUMBER: 1 SUBSTREAM: MIXED ISOBU-01 2.0000 HYDRO-01 1.0000 ACETI-01 1.0000 CARBO-01 1.0000

*** RESULTS ***

STOP CRITERION SATISFIED 1 REACTION TIME HR 0.57025 REACTOR HEAT LOAD PER CYCLE BTU -12150. REACTOR MINIMUM TEMPERATURE F 278.37 REACTOR MAXIMUM TEMPERATURE F 587.29

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 7 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED)

***** RESULTSPROFILES *****

** OVERALL REACTOR CONTENTS **

TIME PRESSURE TEMPERATURE INST. DUTY HR PSI F BTU/HR

0.00000E+00 2030.5 587.29 -0.87276E+07 0.50000 2030.5 278.38 -5685.9 0.57025 2030.5 278.37 -11635.

TIME REACTION MASS HR LB

0.00000E+00 13.141 0.50000 92.507 0.57025 103.66

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 8 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED)

***** RESULTSPROFILES *****

ACCUMULATED MASS AMOUNTS FROM CONTINUOUS FEED STREAMS

ALL SUBSTREAMS COMBINED

TIME 4 HR LB

0.00000E+00 0.00000E+00 0.50000 79.366 0.57025 90.517

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 9 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED)

***** RESULTSPROFILES *****

INSTANTANEOUS MASS FLOW RATES FOR CONTINUOUS FEED STREAMS

ALL SUBSTREAMS COMBINED

TIME 4 HR LB/HR

0.00000E+00 158.73 0.50000 158.73 0.57025 158.73

***** RESULTSPROFILES *****

** RESULTS BY SUBSTREAMS **

SUBSTREAM: MIXED

TIME PRESSURE TEMPERATURE VAPOR FRAC HR PSI F

0.00000E+00 2030.5 587.29 0.00000E+00 0.50000 2030.5 278.38 0.98263 0.57025 2030.5 278.37 0.98516

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 10 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED)

** COMPONENT MASS AMOUNTS **

SUBSTREAM: MIXED TIME ISOBU-01 HYDRO-01 ACETI-01 CARBO-01 HR LB LB LB LB

0.00000E+00 7.4638 0.00000E+00 5.6771 0.00000E+00 0.50000 0.77913 5.2280 0.59261 72.643 0.57025 0.74636 5.9761 0.56769 83.038

SUBSTREAM: MIXED

TIME ACETI-02 IBUPR-01 HR LB LB

0.00000E+00 0.00000E+00 0.00000E+00 0.50000 2.9908 10.274 0.57025 3.0055 10.324

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 11 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED)

** RESULTS BY SUBSTREAMS **

** COMPONENT MOLE FRACTIONS **

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED

TIME ISOBU-01 HYDRO-01 ACETI-01 CARBO-01 HR

0.00000E+00 0.50000 0.00000E+00 0.50000 0.00000E+00 0.50000 0.10956E-02 0.48950 0.10956E-02 0.48950 0.57025 0.92060E-03 0.49079 0.92060E-03 0.49079

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED

TIME ACETI-02 IBUPR-01 HR

0.00000E+00 0.00000E+00 0.00000E+00 0.50000 0.94004E-02 0.94004E-02 0.57025 0.82857E-02 0.82857E-02 ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 12 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED)

** RESULTS BY SUBSTREAMS **

** LIQUID PHASE MOLE FRACTIONS **

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED LIQUID

TIME ISOBU-01 HYDRO-01 ACETI-01 CARBO-01 HR

0.00000E+00 0.50000 0.00000E+00 0.50000 0.00000E+00 0.50000 0.54796E-01 0.48339E-02 0.45747E-01 0.37171E-01 0.57025 0.52675E-01 0.48343E-02 0.42934E-01 0.37182E-01

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED LIQUID

TIME ACETI-02 IBUPR-01 HR

0.00000E+00 0.00000E+00 0.00000E+00 0.50000 0.31661 0.54084 0.57025 0.30466 0.55771

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 13 SIMULATION 3 U-O-S BLOCK SECTION

BLOCK: B1 MODEL: RBATCH (CONTINUED)

** RESULTS BY SUBSTREAMS **

** VAPOR PHASE MOLE FRACTIONS **

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED VAPOR

TIME ISOBU-01 HYDRO-01 ACETI-01 CARBO-01 HR

0.00000E+00 0.50000 0.14645E-03 0.49807 0.30640E-03 0.49750 0.57025 0.14076E-03 0.49812 0.28753E-03 0.49763

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED VAPOR

TIME ACETI-02 IBUPR-01 HR

0.00000E+00 0.50000 0.39702E-02 0.66923E-05 0.57025 0.38199E-02 0.68993E-05

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 14 SIMULATION 3 STREAM SECTION

1 4 5 -----

STREAM ID 1 4 5 FROM: ---- ---- B1 TO : B1 B1 ----

SUBSTREAM: MIXED PHASE: VAPOR VAPOR MIXED COMPONENTS: LBMOL/HR ISOBU-01 200.1908 0.0 9.7513-03 HYDRO-01 0.0 5.2865 5.1987 ACETI-01 200.1908 0.0 9.7513-03 CARBO-01 0.0 5.2865 5.1987 ACETI-02 0.0 0.0 8.7766-02 IBUPR-01 0.0 0.0 8.7766-02 TOTAL FLOW: LBMOL/HR 400.3816 10.5729 10.5924 LB/HR 4.7307+04 158.7328 181.7771 CUFT/HR 2.5427+05 48.5956 41.1247

STATE VARIABLES: TEMP F 410.0000 410.0000 278.3727 PRES PSI 14.6959 2030.5283 2030.5283 VFRAC 1.0000 1.0000 0.9852 LFRAC 0.0 0.0 1.4844-02 SFRAC 0.0 0.0 0.0 ENTHALPY: BTU/LBMOL -1.1382+05 -2.1434+04 -2.5502+04 BTU/LB -963.2955 -1427.6862 -1486.0296 BTU/HR -4.5571+07 -2.2662+05 -2.7013+05 ENTROPY: BTU/LBMOL-R -82.7651 5.6207 2.0012 BTU/LB-R -0.7005 0.3744 0.1166 DENSITY: LBMOL/CUFT 1.5747-03 0.2176 0.2576 LB/CUFT 0.1861 3.2664 4.4201 AVG MW 118.1555 15.0131 17.1610

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/11/2013 PAGE 15 SIMULATION 3 PROBLEM STATUS SECTION

BLOCK STATUS ------------

**************************************************************************** * * * Calculations were completed normally * * * * All Unit Operation blocks were completed normally * * * * All streams were flashed normally * * * ****************************************************************************

Problem Statement 4:A feed stream consisting of a 60 mole% ethane and 40 mole % ethylene enters a DSTWU column having a flow rate of 200 lbmol/hr at 75F and 15psia. This feed is required to fractionate in a distillation column capable of recovering at least 99.6% of the light key component in the distillate and 99.9% of the heavy key component in the bottoms. The sample of process operates at 15psia with a zero tray to tray pressure drop. The pressure in the reboiler as well as condenser is also 15psia. In the simulation, use total 30 theoretical stages (including a total condenser and reboiler). Applying the RK-Soave property method, simulate the column and calculate the minimum efflux ratio, actual reflux ratio, minimum no. of stages and actual no. of stages and feed location.

Solved Using Aspen Plus V 11.1Result: ASPEN PLUS PLAT: WIN32 VER: 11.1 04/12/2013 PAGE 1 JAYANT DSTWU RUN CONTROL SECTION

RUN CONTROL INFORMATION -----------------------

THIS COPY OF ASPEN PLUS LICENSED TO

TYPE OF RUN: NEW

INPUT FILE NAME: _1535gaz.inm

OUTPUT PROBLEM DATA FILE NAME: _0927xfi VERSION NO. 1

PDF SIZE USED FOR INPUT TRANSLATION: NUMBER OF FILE RECORDS (PSIZE) = 0 NUMBER OF IN-CORE RECORDS = 256 PSIZE NEEDED FOR SIMULATION = 1

CALLING PROGRAM NAME: apmain LOCATED IN: C:\PROGRA~1\ASPENT~1\ASPENP~1.1\Engine\xeq

SIMULATION REQUESTED FOR ENTIRE FLOWSHEET

DESCRIPTION -----------

GENERAL SIMULATION WITH ENGLISH UNITS: F, PSI, LB/HR, LBMOL/HR, BTU/HR, CUFT/HR. PROPERTY METHOD: NONE FLOW BASIS FOR INPUT: MOLE STREAM REPORT COMPOSITION: MOLE FLOW

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/12/2013 PAGE 2 JAYANT DSTWU FLOWSHEET SECTION

FLOWSHEET CONNECTIVITY BY STREAMS ---------------------------------

STREAM SOURCE DEST STREAM SOURCE DEST FEED ---- B3 DISTILAT B3 ---- BOTTOM B3 ----

FLOWSHEET CONNECTIVITY BY BLOCKS --------------------------------

BLOCK INLETS OUTLETS B3 FEED DISTILAT BOTTOM

COMPUTATIONAL SEQUENCE ----------------------

SEQUENCE USED WAS: B3

OVERALL FLOWSHEET BALANCE -------------------------

*** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. CONVENTIONAL COMPONENTS (LBMOL/HR) ETHAN-01 120.000 120.000 0.000000E+00 ETHYLENE 80.0000 80.0000 0.000000E+00 TOTAL BALANCEMOLE (LBMOL/HR) 200.000 200.000 0.142109E-15MASS (LB/HR ) 5852.66 5852.66 0.000000E+00ENTHALPY (BTU/HR) -0.252757E+07 -0.421922E+07 0.400938

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/12/2013 PAGE 3 JAYANT DSTWU PHYSICAL PROPERTIES SECTION

COMPONENTS ----------

ID TYPE FORMULA NAME OR ALIAS REPORT NAME ETHAN-01 C C2H6 C2H6 ETHAN-01 ETHYLENE C C2H4 C2H4 ETHYLENE

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/12/2013 PAGE 4 JAYANT DSTWU U-O-S BLOCK SECTION

BLOCK: B3 MODEL: DSTWU ----------------------------- INLET STREAM: FEED CONDENSER OUTLET: DISTILAT REBOILER OUTLET: BOTTOM PROPERTY OPTION SET: RKS-BM REDLICH-KWONG-SOAVE EQUATION OF STATE

*** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. TOTAL BALANCEMOLE (LBMOL/HR) 200.000 200.000 0.000000E+00MASS (LB/HR ) 5852.66 5852.66 -0.155399E-15ENTHALPY (BTU/HR) -0.252757E+07 -0.421922E+07 0.400938

*** INPUTDATA *** HEAVY KEY COMPONENT ETHAN-01 RECOVERY FOR HEAVY KEY 0.99600 LIGHT KEY COMPONENT ETHYLENE RECOVERY FOR LIGHT KEY 0.99900 TOP STAGE PRESSURE (PSI ) 15.0000 BOTTOM STAGE PRESSURE (PSI ) 15.0000 NO. OF EQUILIBRIUM STAGES 30.0000 DISTILLATE VAPOR FRACTION 0.0

*** RESULTS *** DISTILLATE TEMP. (F ) -139.819 BOTTOM TEMP. (F ) -131.507 MINIMUM REFLUX RATIO 0.34927 ACTUAL REFLUX RATIO 0.35832 MINIMUM STAGES 1.70145 ACTUAL EQUILIBRIUM STAGES 30.0000 NUMBER OF ACTUAL STAGES ABOVE FEED 0.063879 DIST. VS FEED 0.99720 CONDENSER COOLING REQUIRED (BTU/HR) 1,690,860. NET CONDENSER DUTY (BTU/HR) -1,690,860. REBOILER HEATING REQUIRED (BTU/HR) 781.350 NET REBOILER DUTY (BTU/HR) -781.350

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/12/2013 PAGE 5 JAYANT DSTWU STREAM SECTION

BOTTOM DISTILAT FEED --------------------

STREAM ID BOTTOM DISTILAT FEED FROM : B3 B3 ---- TO : ---- ---- B3

SUBSTREAM: MIXED PHASE: LIQUID LIQUID VAPOR COMPONENTS: LBMOL/HR ETHAN-01 0.4800 119.5200 120.0000 ETHYLENE 8.0000-02 79.9200 80.0000 TOTAL FLOW: LBMOL/HR 0.5600 199.4400 200.0000 LB/HR 16.6777 5835.9799 5852.6576 CUFT/HR 0.5067 175.0514 7.5959+04 STATE VARIABLES: TEMP F -131.5074 -139.8193 75.0000 PRES PSI 15.0000 15.0000 15.0000 VFRAC 0.0 0.0 1.0000 LFRAC 1.0000 1.0000 0.0 SFRAC 0.0 0.0 0.0 ENTHALPY: BTU/LBMOL -3.6330+04 -2.1053+04 -1.2638+04 BTU/LB -1219.8870 -719.4806 -431.8678 BTU/HR -2.0345+04 -4.1989+06 -2.5276+06 ENTROPY: BTU/LBMOL-R -61.3485 -53.3969 -28.8272 BTU/LB-R -2.0599 -1.8248 -0.9851 DENSITY: LBMOL/CUFT 1.1053 1.1393 2.6330-03 LB/CUFT 32.9176 33.3387 7.7050-02 AVG MW 29.7817 29.2618 29.2633

ASPEN PLUS PLAT: WIN32 VER: 11.1 04/12/2013 PAGE 6 JAYANT DSTWU PROBLEM STATUS SECTION

BLOCK STATUS ------------

**************************************************************************** * * * Calculations were completed normally * * * * All Unit Operation blocks were completed normally * * * * All streams were flashed normally * * * ****************************************************************************Jayant Kushwaha