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 11.1

Result:
ASPEN PLUS PLAT: WIN32 VER: 11.1
SIMULATION 1
RUN CONTROL SECTION

04/11/2013 PAGE 1

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
SIMULATION 1
FLOWSHEET SECTION

04/11/2013 PAGE 2

FLOWSHEET CONNECTIVITY BY STREAMS

--------------------------------STREAM SOURCE
FEED
---B6

DEST
STREAM
PRODUCT B6

SOURCE
----

DEST

FLOWSHEET CONNECTIVITY BY BLOCKS

-------------------------------BLOCK
INLETS
B6
FEED

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

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 1
PHYSICAL PROPERTIES SECTION

04/11/2013 PAGE 3

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

REPORT NAME
ACETO-01
KETEN-01
METHA-01

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 1
REACTION SECTION

04/11/2013 PAGE 4

REACTION: R-1
TYPE: LHHW
-------------------------------Unit operations referencing this reaction model:
Reactor Name: B6

Block Type: RPLUG

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 1
U-O-S BLOCK SECTION

04/11/2013 PAGE 5

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 BALANCE
MOLE (LBMOL/HR)
286.601
369.214
82.6135 -0.769789E-16
MASS (LB/HR )
16645.8
16645.8
-0.113647E-13
ENTHALPY (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
GLOBAL BASES:
KBASIS
CBASIS
SBASIS

ID: R-1

TYPE: LHHW

MOLE-GAMMA
MOLARITY
GLOBAL

STOICHIOMETRY:
REACTION NUMBER:
SUBSTREAM: MIXED
ACETO-01 -1.0000

1
KETEN-01 1.0000

METHA-01 1.0000

REAC-DATA ENTRIES:
REACTION NO TYPE
F
1

KINETIC

PHASE

DELT

0.00000E+00

BASIS

MOLARITY

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 1
U-O-S BLOCK SECTION
BLOCK: B6

04/11/2013 PAGE 6

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
1

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

DRIVING FORCE 2 EQUILIBRIUM VALUES:

REACTION NO
1

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

*** RESULTS ***

REACTOR DUTY
BTU/HR
RESIDENCE TIME
HR
REACTOR MINIMUM TEMPERATURE F
REACTOR MAXIMUM TEMPERATURE F

-0.31778E-08
0.11269E-03
1021.7
1337.0

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

LENGTH
PRESSURE
FT
PSI
F

TEMPERATURE VAPOR FRAC RES-TIME

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

SIMULATION 1
U-O-S BLOCK SECTION
BLOCK: B6

04/11/2013 PAGE 7

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

SIMULATION 1
STREAM SECTION
FEED PRODUCT
-----------STREAM ID
FROM:
TO :

FEED
---B6
B6
----

PRODUCT

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

04/11/2013 PAGE 8

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

SIMULATION 1
PROBLEM STATUS SECTION

04/11/2013 PAGE 9

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

sim ulation 1
Strea m ID

FEED

Tem perature

P ressure

psi

Vapor Frac
Mole Flow

lbm ol/hr

Ma ss Flow

lb/hr

Volum e Flow cuft/hr

Enthalpy

MM Btu/hr

Mole Flow

lbm ol/hr

ACETO-01

P RODUCT

1337.0

1021.7

22.04

22.04

1.000

1.000

286.601

369.214

16645.794

16645.794

250676.525 266265.507
-15.824

-15.824

286.601

203.987

KETEN-01

82.613

M ETHA-01

82.613

Problem Statement 2:
Pyrolysis of Benzene
Di-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 + H2
Substituting the symbolic IDs A = C6H6, B = C12H10, C = C18H14, D = H2
(3) 2 A B + D
(4) A + B C + D
Murphy, 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 Data
A = C6H6

B = C12H10

The reactor tube dimensions:

C = C18H14

D = H2

L = 37.5 in, D = 0.5 in

Rate Laws
-r1A = k1A (p2A pB pD /K1A)
-r2B = k2B (pApB pCpD/K2B)
Specific reaction rate constants
k1A = A1 exp (-E1/RT)
k2B = A2 exp (-E2/RT)
Equilibrium constants
ln K1A = A + B/T + C ln (T) + DT + ET2
ln K2B = A + B/T + C ln (T) + DT + ET2
Parameter Values
E1 = 30190 cal/mol

A1 = 7.4652E6 lbmole/h/ft3/atm2

E2 = 30190 cal/mol

A2 = 8.6630E6 lbmole/h/ft3/atm2

A = -19.76

A = -28.74

B = -1692

B = 742

C = 3.13

C = 4.32

D = -1.63E-3

D = -3.15E-3

E = 1.96E-7

E = 5.08E-7

P = 14.69595 psi

R = 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 BALANCE
MOLE (LBMOL/HR)
0.682000E-01 0.682000E-01 0.756292E-16 0.110893E-14
MASS (LB/HR )
5.32735
5.32735
0.000000E+00
ENTHALPY (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
GLOBAL BASES:
KBASIS
CBASIS
SBASIS

STOICHIOMETRY:
REACTION NUMBER:

ID: R-1

TYPE: POWERLAW

MOLE-GAMMA
MOLARITY
GLOBAL

SUBSTREAM: MIXED
C6H6
-1.0000 C12H10

0.50000

H2

0.50000

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

H2

-0.50000

H2

1.0000

C18H14

1.0000

REACTION NUMBER:
4
SUBSTREAM: MIXED
C6H6
1.0000 C12H10

H2

-1.0000

C18H14

-1.0000

REAC-DATA ENTRIES:
REACTION NO TYPE
F
1
KINETIC V
2
KINETIC V
3
KINETIC V
4
KINETIC V

1.0000

PHASE

DELT

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

BASIS
PARTIALPRES
PARTIALPRES
PARTIALPRES
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 as
C10H14 + C4H6O3 + H2 + CO CH3COOH + C13H18O2
With an estimated kinetic rate expression of
rIBU = 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 11.1

Result:

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 3
RUN CONTROL SECTION

04/11/2013 PAGE 1

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

SIMULATION 3
FLOWSHEET SECTION

04/11/2013 PAGE 2

FLOWSHEET CONNECTIVITY BY STREAMS

--------------------------------STREAM SOURCE
4
---B1
5
B1
----

DEST
STREAM
1
---B1

FLOWSHEET CONNECTIVITY BY BLOCKS

-------------------------------BLOCK
INLETS
B1
14

OUTLETS
5

COMPUTATIONAL SEQUENCE
---------------------SEQUENCE USED WAS:

SOURCE

DEST

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 BALANCE
MOLE (LBMOL/HR)
410.955
10.5924 -400.362 0.778053E-16
MASS (LB/HR )
47466.0
181.777
0.996170
ENTHALPY (BTU/HR) -0.457975E+08 -270126.
-0.994102

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 3
PHYSICAL PROPERTIES SECTION

04/11/2013 PAGE 3

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

SIMULATION 3
REACTION SECTION
REACTION: R-1
TYPE: POWERLAW
-----------------------------------Unit operations referencing this reaction model:
Reactor Name: B1

Block Type: RBATCH

04/11/2013 PAGE 4

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 3
U-O-S BLOCK SECTION

04/11/2013 PAGE 5

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 BALANCE
MOLE (LBMOL/HR)
410.955
10.5924 -400.362 0.734827E-16
MASS (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
INT-TIME TERM FOR CONTROLLER
DER-TIME TERM FOR CONTROLLER

2500.0
0.10000E+36
0.00000E+00

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

HR

REACTION PARAGRAPH
GLOBAL BASES:

24.000

ID: R-1

TYPE: POWERLAW

KBASIS
CBASIS
SBASIS

MOLE-GAMMA
MOLARITY
GLOBAL

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 3
U-O-S BLOCK SECTION

04/11/2013 PAGE 6

BLOCK: B1
MODEL: RBATCH (CONTINUED)
STOICHIOMETRY:
REACTION NUMBER:
1
SUBSTREAM: MIXED
ISOBU-01 -1.0000 HYDRO-01 -1.0000
ACETI-02 1.0000 IBUPR-01 1.0000

ACETI-01 -1.0000

CARBO-01 -1.0000

REAC-DATA ENTRIES:
REACTION NO TYPE
F
1

KINETIC

PHASE

DELT

0.00000E+00

BASIS

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

*** RESULTS ***

STOP CRITERION SATISFIED
1
REACTION TIME
HR
0.57025
REACTOR HEAT LOAD PER CYCLE BTU
REACTOR MINIMUM TEMPERATURE F
REACTOR MAXIMUM TEMPERATURE F

-12150.
278.37
587.29

CARBO-01 1.0000

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 3
U-O-S BLOCK SECTION
BLOCK: B1

04/11/2013 PAGE 7

MODEL: RBATCH (CONTINUED)

***** RESULTSPROFILES *****

** OVERALL REACTOR CONTENTS **

TIME
HR

PRESSURE
PSI
F

TEMPERATURE INST. DUTY

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
HR

REACTION MASS
LB

0.00000E+00 13.141
0.50000
92.507
0.57025
103.66

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 3
U-O-S BLOCK SECTION
BLOCK: B1

04/11/2013 PAGE 8

MODEL: RBATCH (CONTINUED)

***** RESULTSPROFILES *****

ACCUMULATED MASS AMOUNTS FROM CONTINUOUS FEED STREAMS

ALL SUBSTREAMS COMBINED
TIME
HR

4
LB

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

ASPEN PLUS PLAT: WIN32 VER: 11.1

SIMULATION 3
U-O-S BLOCK SECTION
BLOCK: B1

04/11/2013 PAGE 9

MODEL: RBATCH (CONTINUED)

***** RESULTSPROFILES *****

INSTANTANEOUS MASS FLOW RATES FOR CONTINUOUS FEED STREAMS

ALL SUBSTREAMS COMBINED
TIME
HR

4
LB/HR

0.00000E+00 158.73
0.50000
158.73
0.57025
158.73

***** RESULTSPROFILES *****

** RESULTS BY SUBSTREAMS **
SUBSTREAM: MIXED
TIME
HR

PRESSURE
PSI
F

TEMPERATURE VAPOR FRAC

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

SIMULATION 3
U-O-S BLOCK SECTION
BLOCK: B1

MODEL: RBATCH (CONTINUED)

** COMPONENT MASS AMOUNTS **

SUBSTREAM: MIXED

04/11/2013 PAGE 10

TIME
HR

ISOBU-01
LB
LB

HYDRO-01
LB

ACETI-01
LB

CARBO-01

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
HR

ACETI-02
LB
LB

IBUPR-01

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

SIMULATION 3
U-O-S BLOCK SECTION
BLOCK: B1

04/11/2013 PAGE 11

MODEL: RBATCH (CONTINUED)

** RESULTS BY SUBSTREAMS **

** COMPONENT MOLE FRACTIONS **

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED
TIME
HR

ISOBU-01

HYDRO-01

ACETI-01

CARBO-01

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
HR

ACETI-02

IBUPR-01

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

SIMULATION 3
U-O-S BLOCK SECTION
BLOCK: B1

04/11/2013 PAGE 12

MODEL: RBATCH (CONTINUED)

** RESULTS BY SUBSTREAMS **

** LIQUID PHASE MOLE FRACTIONS **

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED LIQUID

TIME
HR

ISOBU-01

HYDRO-01

ACETI-01

CARBO-01

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
HR

ACETI-02

IBUPR-01

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

SIMULATION 3
U-O-S BLOCK SECTION
BLOCK: B1

MODEL: RBATCH (CONTINUED)

** RESULTS BY SUBSTREAMS **

** VAPOR PHASE MOLE FRACTIONS **

COMPONENT MOLE FRACTIONS

04/11/2013 PAGE 13

SUBSTREAM: MIXED VAPOR

TIME
HR

ISOBU-01

HYDRO-01

0.00000E+00
0.50000
0.14645E-03 0.49807
0.57025
0.14076E-03 0.49812

ACETI-01

CARBO-01

0.30640E-03 0.49750
0.28753E-03 0.49763

COMPONENT MOLE FRACTIONS

SUBSTREAM: MIXED VAPOR

TIME
HR

ACETI-02

IBUPR-01

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

SIMULATION 3
STREAM SECTION
145
----STREAM ID
FROM:
TO :

1
---B1

4
---B1

5
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

04/11/2013 PAGE 14

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

SIMULATION 3
PROBLEM STATUS SECTION

04/11/2013 PAGE 15

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

s imu la tio n 3
Stre a m ID

Fro m

B1

To

B1

B1

Pha s e

VAPOR

VAPOR

M IXED

Sub s tre a m: M IXED

M o le Flo w

lb mo l/h r

ISOB U-0 1

20 0 .1 90 8

0 .0

9 .7 51 3 4E-3

0 .0

5. 28 6 46 3

5. 19 8 69 8

20 0 .1 90 8

0 .0

9 .7 51 3 4E-3

C AR B O-0 1

0 .0

5. 28 6 46 3

5. 19 8 69 8

AC ETI-02

0 .0

0 .0

.0 87 7 65 5

HYDR O-0 1
AC ETI-01

IB UPR -0 1
Tot al Flo w

lb mo l/h r

Tot al Flo w

lb /h r

Tot al Flo w

c uft/h r

Temp e ra tu re
Pre ss u re

0 .0

0 .0

.0 87 7 65 5

40 0 .3 81 6

10 .5 7 29 3

10 .5 9 24 3

47 3 07 .2 9

15 8 .7 32 8

18 1 .7 77 1

2 .5 42 6 6E+5

48 .5 9 56 4

41 .1 2 47 0

41 0 .0 00 0

41 0 .0 00 0

27 8 .3 72 7

p si

14 .6 9 59 5

20 3 0. 52 8

20 3 0. 52 8

Va po r Frac

1. 00 0 00 0

1. 00 0 00 0

.9 85 1 55 6

Liq ui d Frac

0 .0

0 .0

.0 14 8 44 3

Sol id Fra c

0 .0

0 .0

0 .0

-1 .1 3 82 E+5

-21 4 34 .0 5

-25 5 01 .8 2

Ent ha lp y

B tu /l bmo l

Ent ha lp y

B tu /l b

-96 3 .2 95 5

-14 2 7. 68 6

-14 8 6. 03 0

Ent ha lp y

B tu /h r

-4 .5 5 71 E+7

-2 .2 6 62 E+5

-2 .7 0 13 E+5

Ent ro py

B tu /l bmo l-R

-82 .7 6 50 8

5. 62 0 68 4

2. 00 1 23 3

Ent ro py

B tu /l b-R

-.7 00 4 75 9

.3 74 3 84 3

.1 16 6 14 9

De ns it y

lb mo l/c u ft

1 .5 74 6 6E-3

.2 17 5 69 5

.2 57 5 68 6

De ns it y

lb /c u ft

.1 86 0 54 6

3. 26 6 40 1

4. 42 0 14 6

11 8 .1 55 5

15 .0 1 31 4

17 .1 6 10 4

80 7 .5 08 2

9. 07 0 65 8

9. 34 1 55 5

Av erag e M W
Liq Vo l 6 0 F

c uft/h r

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 11.1

Result:
ASPEN PLUS PLAT: WIN32 VER: 11.1
JAYANT DSTWU
RUN CONTROL SECTION

04/12/2013 PAGE 1

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

JAYANT DSTWU
FLOWSHEET SECTION

04/12/2013 PAGE 2

FLOWSHEET CONNECTIVITY BY STREAMS

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

DEST

FLOWSHEET CONNECTIVITY BY BLOCKS

-------------------------------BLOCK
INLETS
B3
FEED

OUTLETS
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 BALANCE
MOLE (LBMOL/HR)
200.000
200.000
0.142109E-15
MASS (LB/HR )
5852.66
5852.66
0.000000E+00
ENTHALPY (BTU/HR) -0.252757E+07 -0.421922E+07 0.400938

ASPEN PLUS PLAT: WIN32 VER: 11.1

JAYANT DSTWU
PHYSICAL PROPERTIES SECTION

04/12/2013 PAGE 3

COMPONENTS
---------ID
TYPE FORMULA
ETHAN-01 C C2H6
ETHYLENE C C2H4

NAME OR ALIAS
C2H6
C2H4

REPORT NAME
ETHAN-01
ETHYLENE

ASPEN PLUS PLAT: WIN32 VER: 11.1

JAYANT DSTWU
U-O-S BLOCK SECTION

04/12/2013 PAGE 4

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 BALANCE
MOLE (LBMOL/HR)
200.000
200.000
0.000000E+00
MASS (LB/HR )
5852.66
5852.66
-0.155399E-15
ENTHALPY (BTU/HR) -0.252757E+07 -0.421922E+07 0.400938
*** INPUTDATA ***
HEAVY KEY COMPONENT
RECOVERY FOR HEAVY KEY
LIGHT KEY COMPONENT
RECOVERY FOR LIGHT KEY
TOP STAGE PRESSURE (PSI )
BOTTOM STAGE PRESSURE (PSI
NO. OF EQUILIBRIUM STAGES
DISTILLATE VAPOR FRACTION

ETHAN-01
0.99600
ETHYLENE
0.99900
15.0000
15.0000
30.0000
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

JAYANT DSTWU
STREAM SECTION

04/12/2013 PAGE 5

BOTTOM DISTILAT FEED

-------------------STREAM ID
FROM :
TO :

BOTTOM DISTILAT FEED

B3
B3
---------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

JAYANT DSTWU
PROBLEM STATUS SECTION

04/12/2013 PAGE 6

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

Simulation4
Stream ID
Temperature

Pressure

psi

15.00

15.00

15.00

Vapor Frac
Mole Flow

lbmol/hr

0.000
0.560

0.000
199.440

1.000
200.000

Mass Flow
Volume Flow

lb/hr
cuft/hr

16.678
0.507

5835.980
175.051

5852.658
75959.347

Enthalpy

MMBtu/hr

-0.020

-4.199

-2.528

Mole Flow
ETHAN-01

lbmol/hr
0.480

119.520

120.000

0.080

79.920

80.000

ETHYLENE

BOTTOM DISTILAT FEED

-131.5
-139.8
75.0