CHE656

Computer Applications for Chemical Engineering Practice

Homework Set #2 Solutions

Class-14

Prepared by

Dr. Hong-ming Ku

King Mongkut’s University of Technology Thonburi

Chemical Engineering Department
Chemical Engineering Practice School

© April 2010 – Use with Permission of the Author Only

1
16. Simulation of a Cyclohexane Production Process
The process shown in Figure 3 to produce cyclohexane by hydrogenation of benzene is to be
simulated using ASPEN PLUS. This example is typical of a model developed for preliminary
flowsheet evaluation.

Fresh benzene and make-up hydrogen are mixed with recycle hydrogen and recycle
cyclohexane from the process and fed to a fixed-bed catalytic reactor. In the reactor, the
reaction

C6H6 + 3H2 → C6H12

occurs. The heat of reaction for this highly exothermic reaction is removed by boiling water
outside tubes containing catalyst. The reactor effluent is cooled and separated into liquid and
vapor phases. The liquid phase is fed to a distillation column to remove the dissolved light
ends and to stabilize the liquid product. Part of the liquid from the separator is recycled to the
reactor to aid in temperature control.

(a) Develop a flowsheet simulation model to determine all product and intermediate stream
conditions and the performance of each major process unit. The important process
conditions are listed in the Table below. Use the Redlich-Kwong-Soave equation of state
for property calculations. Make a hard copy of your process diagram. Export your model to
an input summary file (with no graphics) and submit this .INP file. What is the flowrate and
purity of cyclohexane from the stabilizer.

(b) For the stabilizer, what is the calculated reflux ratio and the feed tray location? What are
the utility requirements of pumps and compressors? What is the cooling duty required for
the product cooler and the vapor fraction at the outlet of the cooler? What are the
calculated duty for the feed preheater and the reactor?

(c) The RK-SOAVE property method is the Redlich-Kwong-Soave cubic equation of state
(EOS), which is recommended for gas processing, refinery, and other hydrocarbon
applications, in which nonpolar or mildly polar mixtures are involved. ASPEN PLUS uses
this EOS to calculate all thermodynamic properties except one. What is the property in this
exception, and what property model is used by ASPEN PLUS in this flowsheet to calculate
this thermodynamic property?

(a) For accurate results, RK-SOAVE requires binary interaction parameters between
components in the system. What is the name of this parameter used in ASPEN PLUS? Is
the parameter symmetric or asysmetric? (i.e., is kij = kji?)

ASPEN PLUS automatically retrieves the binary parameters for the RK-SOAVE method
from its binary databank. What binary databanks were searched, and what is the data source

2
 of these binary parameters? With the 4 components in the system, what is the total number
of possible component pairs (e.g. C6H6-H2, H2-N2, etc.) for binary parameters? List all the
possible component pairs. List the pairs whose binary parameters were not retrieved by
ASPEN PLUS?

(b) Are there any tear stream convergence loops in this flowsheet? If so, what is the minimum
number of tear streams and the tear stream locations determined by ASPEN PLUS? What
is the computation order for the flowsheet?

(c) What is the total number of iterations for the tear stream convergence in your run? What
variables in the tear stream were being converged upon by ASPEN PLUS? What are the
final values of these variables. What was the initial guess for the variables in the tear
stream? What suggestion do you have to reduce the total number of iterations, hence the
simulation time, of this flowsheet?

Figure 3: PFD of a Cyclohexane Production Process

3
Process Conditions for Cyclohexane Production Process

Feed streams:
Composition (mole%) Fresh Benzene Make-up Hydrogen
--------------------------------------------------------------------------------------------------
Hydrogen 0.0 97.5
Nitrogen 0.0 0.5
Methane 0.0 2.0
Benzene 100.0 0.0
--------------------------------------------------------------------------------------------------
Total 100.0 100.0
Flow (lbmol/hr) 100.0 330.0
Temperature (°F) 100.0 120.0
Pressure (psia) 15.0 335.0
--------------------------------------------------------------------------------------------------

Feed Pump:
Centrifugal pump
Outlet pressure (psia) 335

Feed Preheater:
Outlet temperature (°F) 300
Pressure drop (psi) 5

Reactor:
Reaction: C6H6 + 3H2 → C6H12
Conversion: 99.8 percent conversion of benzene in feed
Outlet temperature (°F) 400
Pressure drop (psi) 15

Product Cooler:
Outlet temperature (°F) 120
Pressure drop (psi) 5

Separator:
Heat loss Negligible
Pressure drop Negligible

Purge:
Purge rate 8 percent of vapor from separator

Recycle Compressor:
Positive displacement
Outlet pressure (psia) 335

4
 Cyclohexane Recycle:
Recycle flow 30 percent of liquid from separator

Recycle Pump:
Centrifugal pump
Outlet pressure (psia) 335

Stabilizer:
# of theoretical stages 13 (plus condenser and reboiler)
Pressure 200 psia throughout
Cyclohexane recovery in bottoms 99.99 percent
Methane recovery in distillates 99.999 percent
Partial condenser
Distillate all vapor

Solution:

(a)

A+ Input Summary File:

Input Summary created by Aspen Plus Rel. 13.2 at 15:16:01 Wed May 17, 2006
;Directory C:\Documents and Settings\Administrator\Desktop\Man Filename
C:\DOCUME~1\ADMINI~1\LOCALS~1\Temp\~ap1c.tmp
;
IN-UNITS ENG

DEF-STREAMS CONVEN ALL

ACCOUNT-INFO USER-NAME="1"

5
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

"

DATABANKS PURE13 / AQUEOUS / SOLIDS / INORGANIC / &

NOASPENPCD

PROP-SOURCES PURE13 / AQUEOUS / SOLIDS / INORGANIC

COMPONENTS
BENZENE C6H6 /
H2 H2 /
CYCLOHEX C6H12-1 /
N2 N2 /
METHANE CH4

FLOWSHEET
BLOCK FEEDPUMP IN=BENFEED OUT=INM1
BLOCK HEATER IN=HEATIN OUT=REATIN
BLOCK REACTOR IN=REATIN OUT=REATOUT
BLOCK COOLER IN=REATOUT OUT=SEPIN
BLOCK SEPARAT IN=SEPIN OUT=VAPOR LIQ
BLOCK COLUMN IN=COLIN OUT=TOP BOT
BLOCK COMP IN=COMPIN OUT=COMPOUT
BLOCK RECPUMP IN=RECIN OUT=RECOUT
BLOCK MIX1 IN=INM1 MAKEH2 OUT=M1OUT
BLOCK MIX2 IN=M1OUT RECOUT COMPOUT OUT=HEATIN
BLOCK SP1 IN=VAPOR OUT=PURGE COMPIN
BLOCK SP2 IN=LIQ OUT=RECIN COLIN

PROPERTIES RK-SOAVE

PROP-DATA RKSKBV-1
IN-UNITS ENG
PROP-LIST RKSKBV
BPVAL BENZENE N2 .1530000000 0.0 0.0 -459.6699923 &
1340.329993
BPVAL BENZENE METHANE .0209000000 0.0 0.0 -459.6699923 &

6
 1340.329993
BPVAL H2 N2 .0978000000 0.0 0.0 -459.6699923 1340.329993
BPVAL H2 METHANE -.0222000000 0.0 0.0 -459.6699923 &
1340.329993
BPVAL CYCLOHEX METHANE .0333000000 0.0 0.0 -459.6699923 &
1340.329993
BPVAL N2 METHANE .0278000000 0.0 0.0 -459.6699923 &
1340.329993

STREAM BENFEED
SUBSTREAM MIXED TEMP=100. PRES=15. MOLE-FLOW=100.
MOLE-FRAC BENZENE 1.

STREAM MAKEH2
SUBSTREAM MIXED TEMP=120. PRES=335. MOLE-FLOW=330.
MOLE-FRAC H2 0.975 / N2 0.005 / METHANE 0.02

BLOCK MIX1 MIXER

BLOCK MIX2 MIXER

BLOCK SP1 FSPLIT

FRAC PURGE 0.08

BLOCK SP2 FSPLIT

FRAC RECIN 0.3

BLOCK COOLER HEATER

PARAM TEMP=120. PRES=-5.

BLOCK HEATER HEATER

PARAM TEMP=300. PRES=-5.

BLOCK SEPARAT FLASH2

PARAM PRES=0. DUTY=0.

BLOCK COLUMN DSTWU

PARAM LIGHTKEY=METHANE RECOVL=0.99999 HEAVYKEY=CYCLOHEX &
RECOVH=0.0001 PTOP=200. <psia> PBOT=200. <psia> RDV=1.0 &
NSTAGE=13

BLOCK REACTOR RSTOIC

PARAM TEMP=400. PRES=-15.
STOIC 1 MIXED BENZENE -1. / H2 -3. / CYCLOHEX 1.
CONV 1 MIXED BENZENE 0.998

7
BLOCK FEEDPUMP PUMP
PARAM PRES=335. <psia>

BLOCK RECPUMP PUMP

PARAM PRES=335. <psia> PUMP-TYPE=PUMP

BLOCK COMP COMPR

PARAM TYPE=POS-DISP PRES=335. <psia>

EO-CONV-OPTI

STREAM-REPOR MOLEFLOW MOLEFRAC

Flowrate of cyclohexane stream from the stabilizer = 99.475 lbmol/hr

Purity of cyclohexane from the stabilizer = 99.87 mol%

(b) Stabilizer: Calculated reflux ratio = 1.82; Feed tray location = 5

Utility requirements: Feed pump = 11.463 hp

Recycle pump = 0.476 hp

Recycle compressor = 16.613 hp

Product Cooler: Duty = -4.09x106 Btu/hr; Vapor fraction = 0.714

Feed preheater duty = 3.51x106 Btu/hr

Reactor duty = -8.30x106 Btu/hr

(c) Property in the exception = liquid molar volume

Property model = The Rackett model

(d) Name of the parameter = RKSKBV

The parameter is symmetric.

Binary databanks searched = EOS-LIT

Sources of binary parameters = DECHEMA Chemistry Data Series , Volume VI and

Watanasiri et.al., AJChE J., 28, 638, 1982 .

8
 Total number of component pairs = 10

List of all possible component pairs: C6 H6–H2 H2–C6H12 C6 H12–N2 N2–C1

C6H6–C6H2 H2–N2 C6H6–H2 C6H6– C12 C6H6–N2 H2–C12 C6H6–C12

List of pairs with missing binary parameters: C6H6–H2 H2–C6H12 C6H6–C6H12 C6H12–N2

(e) Minimum number of tear streams = 1

The tear stream is: HEATIN (feed to preheater)

Flowsheet computation order = Tear INTO-PRE

FEEDPUMP MIX1 $OLVER01 HEATER REACTOR COOLER

SEPARAT SP1 COMP SP2 RECPUMP MIX2
(RETURN $OLVER01) COLUMN

Update tear stream

(f) Number of iterations in tear stream convergence = 16

Variables converged by A+ in tear streams = component flow rates, pressure, and enthalpy

(N+2 variables)

Final values of each variable:

TOTAL MOLEFLOW 806.235786 lbmol/hr
BENZENE MOLEFLOW 100.065726 lbmol/hr
HYDROGEN MOLEFLOW 569.444138 lbmol/hr
CYCLOH6 MOLEFLOW 48.4863584 lbmol/hr
METHANE MOLEFLOW 69.0328965 lbmol/hr
NITROGENMOLEFLOW 19.2066668 lbmol/hr
PRESSURE 335 psi
MASS ENTHALPY -193.42423 Btu/lbm

Initial guess for the tear stream variables = zero flow rate for each component

Suggestions: Provide a good initial guess for the tear stream will reduce the number of

iterations in the tear stream convergence loop.

9
18. Simulation of Benzene Production Using ASPEN PLUS
The reactor section of a process shown in Figure 1 to produce benzene (C6H6) by
hydrodealkylation of toluene (C7H8) is to be simulated using ASPEN PLUS. This
example is typical of a model developed for preliminary flowsheet evaluation.

Toluene is to be converted thermally to benzene in a hydrodealkylation reactor. The main

reaction is:

C7H8 + H2 → C6H6 + CH4

An unavoidable side reaction occurs that produces diphenyl as follows:

2C6H6 → C12H10 + H2

Conversion of toluene in the reactor is 75%, while 2% of the benzene present after the first
reaction occurs is converted to diphenyl. The conditions for the feed and the two recycle
streams are:

Component Flow Rates Feed Recycle Gas Recycle

(lbmoles/hr)

H2 0 0 2045.9
CH4 0 0 3020.8
C6H6 0 3.4 42.8
C7H8 274.2 82.5 5.3
C12H10 0 1.0 0

Develop a flowsheet simulation model to determine all product and intermediate stream
conditions and the performance of each major process unit. The important process conditions
are given in Figure 4. Use the Redlich-Kwong-Soave equation of state for property
calculations.

10
 Feed, 95 deg. F, 569 psia Gas Recycle, 121 deg. F, 569 psia Vapor Product

Heat Exchanger
Recycle, 250 deg. F, 569 psia
Pdrop = 0 psi
U = 60
100 deg. F Flash Drum
Pdrop = 5 psi

Water Cooler
1200 deg. F 1000 deg. F Quench Recycle
Stream
Furnace
Pdrop = 70 psi Reactor
Pdrop = 0 psi 494 psia
40% of inlet Liquid Product
1268 deg. F

Quench Pump

Figure 4: Benzene Production Process by Hydroakylation of Toluene

Notes: U = 60 Btu/hr-ft2-R and ΔP = 5 psia applies to both hot-side and cold-side of the heat
exchanger.

Solution:

Flow rate of benzene product stream: _____386.08______ lbmol/hr

Purity of benzene in the product stream: ____71.2______ mole%

Required area in the heat exchanger: ____6907.28______ ft2

ASPEN PLUS Input File:

TITLE 'Benzene Production Process'

IN-UNITS ENG

DEF-STREAMS CONVEN ALL

DESCRIPTION "
General Simulation with English Units :
F, psi, lb/hr, lbmol/hr, Btu/hr, cuft/hr.

11
 Property Method: None

Flow basis for input: Mole

Stream report composition: Mole flow "

DATABANKS PURE10 / AQUEOUS / SOLIDS / INORGANIC / &

NOASPENPCD

PROP-SOURCES PURE10 / AQUEOUS / SOLIDS / INORGANIC

COMPONENTS
TOLUENE C7H8 /
H2 H2 /
BENZENE C6H6/
METHANE CH4/
DIPHENYL C12H10

FLOWSHEET
BLOCK MIXER-1 IN=FEED RECYCLE GAS-RECY OUT=COLD-IN
BLOCK HEATX IN=HOT-IN COLD-IN OUT=COLD-OUT HOT-OUT
BLOCK FURNACE IN=HOT-OUT OUT=FURN-OUT
BLOCK REACTOR IN=FURN-OUT OUT=REAC-OUT
BLOCK COOLER IN=COLD-OUT OUT=WATR-OUT
BLOCK PUMP IN=PUMP-IN OUT=PUMP-OUT
BLOCK FLASH IN=WATR-OUT OUT=VPRODUCT FLASH-L
BLOCK SPLITTER IN=FLASH-L OUT=LPRODUCT PUMP-IN
BLOCK MIXER-2 IN=REAC-OUT PUMP-OUT OUT=HOT-IN

PROPERTIES RK-SOAVE

PROP-DATA RKSKIJ-1
IN-UNITS ENG
PROP-LIST RKSKIJ
BPVAL TOLUENE H2 .3900000000
BPVAL TOLUENE METHANE .0978000000
BPVAL H2 METHANE -.0222000000
BPVAL H2 TOLUENE .3900000000
BPVAL BENZENE METHANE .0209000000
BPVAL METHANE H2 -.0222000000
BPVAL METHANE TOLUENE .0978000000
BPVAL METHANE BENZENE .0209000000

STREAM FEED
SUBSTREAM MIXED TEMP=95. PRES=569.
MOLE-FLOW TOLUENE 274.2

12
STREAM GAS-RECY
SUBSTREAM MIXED TEMP=121. PRES=569.
MOLE-FLOW TOLUENE 5.3 / H2 2045.9 / BENZENE 42.8 / &
METHANE 3020.8

STREAM RECYCLE
SUBSTREAM MIXED TEMP=250. PRES=569.
MOLE-FLOW TOLUENE 82.5 / BENZENE 3.4 / DIPHENYL 1.

BLOCK MIXER-1 MIXER

BLOCK MIXER-2 MIXER

BLOCK SPLITTER FSPLIT

FRAC PUMP-IN 0.4

BLOCK COOLER HEATER

PARAM TEMP=100. PRES=0.

BLOCK FURNACE HEATER

PARAM TEMP=1200. PRES=-70.

BLOCK FLASH FLASH2

PARAM PRES=0. DUTY=0.

BLOCK HEATX HEATX

PARAM T-COLD=1000. PRES-HOT=-5. PRES-COLD=-5. &
U-OPTION=CONSTANT F-OPTION=CONSTANT
HEAT-TR-COEF U=60.
HOT-SIDE DP-OPTION=CONSTANT
COLD-SIDE DP-OPTION=CONSTANT

BLOCK REACTOR RSTOIC

PARAM TEMP=1268. PRES=0. SERIES=YES
STOIC 1 MIXED TOLUENE -1. / H2 -1. / BENZENE 1. / &
METHANE 1.
STOIC 2 MIXED BENZENE -2. / DIPHENYL 1. / H2 1.
CONV 1 MIXED TOLUENE 0.75
CONV 2 MIXED BENZENE 0.02

BLOCK PUMP PUMP

PARAM PRES=494.

STREAM-REPOR MOLEFLOW MOLEFRAC

13
19. Producing Cyclohexane from Benzene-Water Waste
A waste stream containing water, benzene and some acetone and methanol go through an
adiabator decanter to remove most of the water. The remaining organics, mixed with
hydrogen, are preheated to a temperature of 150 °F fed and then fed to an adiabatic reactor in
which benzene reacts with hydrogen to form cyclohexane according to the following reaction:

C6H6 + 3H2 → C6H12 (95% conversion based on benzene)

The effluent from the reactor is cooled by the water from the decanter and fresh cooling water
inside a counter-current heat exchanger (ΔP = 5 psia in both hot side and cold side and U =
200 Btu/hr-ft2-R) which vaporizes 80% of the cold stream at the outlet. The cooled organic
stream then enters an adiabatic flash in order to recycle the unreacted hydrogen. The bottom
of the flash finally enters a treatment unit where cyclohexane is separated to very high purity.
The second stream, rich in benzene, acetone, and methanol, from the treatment unit is recycled
back to the reactor. The recovery of all components based on the cyclohexane product stream
is as follows: 1% for benzene, 0% for acetone and methanol, 99% for water and cyclohexane,
and 100% for hydrogen. There is a pressure drop of 5 psia in the treatment unit.

A flow diagram of this process is given below, and the following data are available regarding
the process feeds (all flowrates are in lbmol/hr):

Waste Cooling Water Hydrogen

Water 500 1000 ---
Benzene 300 --- ---
Acetone 50 --- ---
Methanol 60 --- ---
Hydrogen --- --- 900
Temperature (°F) 60.0 60.0 80.0
Pressure (psia) 50.0 14.7 50.0

Note: For the compressor, you must specify Valid Phases = Vapor-Liquid in the Convergence
tab instead of using the default. Otherwise, an error in the compressor will occur because
liquid is detected during the compressor calculations. Also, for the waste feed, be sure to
change the flash calculation from Vapor-Liquid to Vapor-Liquid-Liquid.

14
 Hydrogen
Isentropic Purge
Compressor Splitter

Mixer2
80 psia
Waste

ΔP=0 10% going to purge

Decanter Reactor
Mixer1
Flash
ΔP=15 psia
Preheater
Heat Exchanger
ΔP=2 psia ΔP=10 psia
ΔP=5 psia
Treatment
Mixer3
Pump
Saturated
80 psia
Water Liquid ΔP=5 psia

Cyclohexane
Contains
5% vapor

Use ASPEN PLUS to simulate the process. For properties, use NRTL-RK (remember to
declare Henry’s components if any exists) and answer the following questions:

Solutions:

(i) The purity (mole%) of cyclohexane:

Before the treatment unit = _75.04%__, After the treatment unit = __99.80%___

(i) The required heat transfer area in the cooler = ___456.15___ ft2

(iii) The temperature of the organic stream:

Before entering the cooler = __758.36__ °F, After exiting the cooler = __176.32__ °F

15
Input Summary File
;
;Input Summary created by Aspen Plus Rel. 13.2 at 11:08:14 Thu May 31, 2007
;Directory C:\ChEPS\ChEPS Courses\ChE656-11thYear\Midterm Filename C:\ChEPS\ChEPS
Courses\ChE656-11thYear\Midterm\cyclohexane.inp
;

DYNAMICS
DYNAMICS RESULTS=ON

IN-UNITS ENG

DEF-STREAMS CONVEN ALL

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

"

16
DATABANKS PURE13 / AQUEOUS / SOLIDS / INORGANIC / &
NOASPENPCD

PROP-SOURCES PURE13 / AQUEOUS / SOLIDS / INORGANIC

COMPONENTS
BENZENE C6H6 /
ACETONE C3H6O-1 /
METHANOL CH4O /
WATER H2O /
CYCLO-H C6H12-1 /
H2 H2

HENRY-COMPS HC-1 H2

FLOWSHEET
BLOCK DECANTER IN=WASTE OUT=ORGANICS AQUEOUS
BLOCK PREHEAT IN=P-IN OUT=R-IN
BLOCK HEATX IN=R-OUT C-WATER OUT=C-ORG H-WATER
BLOCK FLASH IN=C-ORG OUT=OVH-F COL-IN
BLOCK TREAT IN=COL-IN OUT=PUMP-IN CYCLOHEX
BLOCK PUMP IN=PUMP-IN OUT=PUMP-OUT
BLOCK SPLITTER IN=OVH-F OUT=PURGE COMP-IN
BLOCK MIXER2 IN=COMP-OUT H2 OUT=GASES
BLOCK MIXER1 IN=ORGANICS PUMP-OUT GASES OUT=P-IN
BLOCK COMPRESS IN=COMP-IN OUT=COMP-OUT
BLOCK REACTOR IN=R-IN OUT=R-OUT
BLOCK MIXER3 IN=AQUEOUS H2O OUT=C-WATER

PROPERTIES NRTL-RK HENRY-COMPS=HC-1

PROPERTIES STEAMNBS

PROP-DATA HENRY-1
IN-UNITS ENG
PROP-LIST HENRY
BPVAL H2 BENZENE -64.93088538 4402.080141 11.75200000 &
-.0115550000 32.90000374 145.0400028 0.0
BPVAL H2 ACETONE 24.31419040 84.51900292 -2.213400000 &
4.38333337E-4 -115.4199951 104.0000032 0.0
BPVAL H2 METHANOL -66.19170229 3361.320016 12.64300000 &
-.0151038890 -75.99999539 157.7300027 0.0
BPVAL H2 WATER 198.2062671 -12588.31790 -26.31190000 &
8.35727785E-3 33.53000373 150.5300028 0.0
BPVAL H2 CYCLO-H -11.50912180 2603.159891 2.726100000 0.0 &
69.44000344 97.48400322 0.0

17
PROP-DATA NRTL-1
IN-UNITS ENG
PROP-LIST NRTL
BPVAL BENZENE ACETONE .6293000000 -537.7148957 .3000000000 &
0.0 0.0 0.0 77.00000338 176.1800026
BPVAL ACETONE BENZENE -.3850000000 696.2790544 .3000000000 &
0.0 0.0 0.0 77.00000338 176.1800026
BPVAL BENZENE METHANOL -2.874400000 2887.121137 .4000000000 &
0.0 0.0 0.0 131.0000030 320.0000014
BPVAL METHANOL BENZENE -.3547000000 700.3425544 .4000000000 &
0.0 0.0 0.0 131.0000030 320.0000014
BPVAL BENZENE WATER 49.63587171 1064.461671 .2000000000 0.0 &
-7.562900000 0.0 33.44000373 170.6000026
BPVAL WATER BENZENE 151.8580629 -10717.75269 .2000000000 &
0.0 -20.02540000 0.0 33.44000373 170.6000026
BPVAL BENZENE CYCLO-H 0.0 329.1955174 .3000000000 0.0 0.0 &
0.0 171.3200026 177.3500026
BPVAL CYCLO-H BENZENE 0.0 -84.44645932 .3000000000 0.0 0.0 &
0.0 171.3200026 177.3500026
BPVAL ACETONE METHANOL 0.0 159.0834587 .3000000000 0.0 0.0 &
0.0 131.0000030 148.3700028
BPVAL METHANOL ACETONE 0.0 227.1205782 .3000000000 0.0 0.0 &
0.0 131.0000030 148.3700028
BPVAL ACETONE WATER -3.076800000 2166.712543 .3000000000 &
0.0 0.0 0.0 68.00000346 446.0000004
BPVAL WATER ACETONE 7.938500000 -3779.412450 .3000000000 &
0.0 0.0 0.0 68.00000346 446.0000004
BPVAL ACETONE CYCLO-H -.5247000000 857.1727731 .4700000000 &
0.0 0.0 0.0 77.00000338 177.4400026
BPVAL CYCLO-H ACETONE -3.346000000 2587.538859 .4700000000 &
0.0 0.0 0.0 77.00000338 177.4400026
BPVAL METHANOL WATER -2.626000000 1491.096768 .3000000000 &
0.0 0.0 0.0 76.98200338 370.9400010
BPVAL WATER METHANOL 4.824100000 -2393.178281 .3000000000 &
0.0 0.0 0.0 76.98200338 370.9400010
BPVAL METHANOL CYCLO-H 1.044700000 577.3521554 .4300000000 &
0.0 0.0 0.0 77.00000338 177.2600026
BPVAL CYCLO-H METHANOL -4.815400000 4165.148487 .4300000000 &
0.0 0.0 0.0 77.00000338 177.2600026
BPVAL WATER CYCLO-H 13.14280000 -1920.557505 .2000000000 &
0.0 0.0 0.0 50.00000360 127.4000030
BPVAL CYCLO-H WATER -10.45850000 8918.814529 .2000000000 &
0.0 0.0 0.0 50.00000360 127.4000030

STREAM H2

18
 SUBSTREAM MIXED TEMP=80. PRES=50.
MOLE-FLOW H2 900.

STREAM H2O
SUBSTREAM MIXED TEMP=60. PRES=14.7
MOLE-FLOW WATER 1000.

STREAM WASTE
SUBSTREAM MIXED TEMP=60. PRES=50. FREE-WATER=NO NPHASE=3 &
PHASE=V
MOLE-FLOW BENZENE 300. / ACETONE 50. / METHANOL 60. / &
WATER 500.

BLOCK MIXER1 MIXER

BLOCK MIXER2 MIXER

BLOCK MIXER3 MIXER

BLOCK SPLITTER FSPLIT

FRAC PURGE 0.1

BLOCK TREAT SEP

PARAM
FRAC STREAM=CYCLOHEX SUBSTREAM=MIXED COMPS=BENZENE ACETONE &
METHANOL WATER CYCLO-H H2 FRACS=0.01 0. 0. 0.99 0.99 &
1.
FLASH-SPECS PUMP-IN PRES=-5. VFRAC=0.
FLASH-SPECS CYCLOHEX PRES=-5. VFRAC=0.05

BLOCK PREHEAT HEATER

PARAM TEMP=150. PRES=-2.

BLOCK FLASH FLASH2

PARAM PRES=-15. DUTY=0.

BLOCK DECANTER DECANTER

PARAM PRES=0. DUTY=0. L2-COMPS=WATER

BLOCK HEATX HEATX

PARAM VFRAC-COLD=0.8 PRES-HOT=-5. PRES-COLD=-5. &
U-OPTION=CONSTANT
FEEDS HOT=R-OUT COLD=C-WATER
PRODUCTS HOT=C-ORG COLD=H-WATER
HEAT-TR-COEF U=200.
PROPERTIES NRTL-RK HENRY-COMPS=HC-1 FREE-WATER=STEAM-TA &

19
 SOLU-WATER=3 TRUE-COMPS=YES / NRTL-RK

BLOCK REACTOR RSTOIC

PARAM PRES=-10. DUTY=0.
STOIC 1 MIXED BENZENE -1. / H2 -3. / CYCLO-H 1.
CONV 1 MIXED BENZENE 0.95

BLOCK PUMP PUMP

PARAM PRES=80.

BLOCK COMPRESS COMPR

PARAM TYPE=ISENTROPIC PRES=80. NPHASE=2
BLOCK-OPTION FREE-WATER=NO

EO-CONV-OPTI

STREAM-REPOR MOLEFLOW MOLEFRAC

;

20