CHE656 2010 Homework2 Solutions

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

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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

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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

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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) Pressure drop (psi)

300 5

Reactor: Reaction: Conversion: Outlet temperature (°F) Pressure drop (psi)

C6H6 + 3H2 → C6H12 99.8 percent conversion of benzene in feed 400 15

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

120 5

Separator: Heat loss Pressure drop

Negligible Negligible

Purge: Purge rate

8 percent of vapor from separator

Recycle Compressor: Positive displacement Outlet pressure (psia)

335

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Cyclohexane Recycle: Recycle flow

30 percent of liquid from separator

Recycle Pump: Centrifugal pump Outlet pressure (psia)

335

Stabilizer: # of theoretical stages Pressure Cyclohexane recovery in bottoms Methane recovery in distillates Partial condenser Distillate all vapor

13 (plus condenser and reboiler) 200 psia throughout 99.99 percent 99.999 percent

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"

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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 &

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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. PBOT=200. 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

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BLOCK FEEDPUMP PUMP PARAM PRES=335. BLOCK RECPUMP PUMP PARAM PRES=335. PUMP-TYPE=PUMP BLOCK COMP COMPR PARAM TYPE=POS-DISP PRES=335. 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 .

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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 =

FEEDPUMP MIX1 SEPARAT SP1 (RETURN $OLVER01)

Tear INTO-PRE

$OLVER01 COMP COLUMN

HEATER SP2

REACTOR RECPUMP

COOLER MIX2

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 BENZENE MOLEFLOW HYDROGEN MOLEFLOW CYCLOH6 MOLEFLOW METHANE MOLEFLOW NITROGENMOLEFLOW PRESSURE MASS ENTHALPY

806.235786 100.065726 569.444138 48.4863584 69.0328965 19.2066668 335 -193.42423

lbmol/hr lbmol/hr lbmol/hr lbmol/hr lbmol/hr lbmol/hr psi 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.

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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 (lbmoles/hr) H2 CH4 C6H6 C7H8 C12H10

Feed

Recycle

0 0 0 274.2 0

0 0 3.4 82.5 1.0

Gas Recycle

2045.9 3020.8 42.8 5.3 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.

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Feed, 95 deg. F, 569 psia

Vapor Product

Gas Recycle, 121 deg. F, 569 psia

Heat Exchanger

Recycle, 250 deg. F, 569 psia

Pdrop = 0 psi U = 60 Pdrop = 5 psi

100 deg. F

Flash Drum

Water Cooler 1200 deg. F

1000 deg. F

Furnace Pdrop = 70 psi

Quench Recycle Stream

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.

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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

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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):

Water Benzene Acetone Methanol Hydrogen Temperature (°F) Pressure (psia)

Waste 500 300 50 60 --60.0 50.0

Cooling Water 1000 --------60.0 14.7

Hydrogen --------900 80.0 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.

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Hydrogen

Isentropic Compressor

Purge

Splitter

Mixer2

80 psia

Waste

ΔP=0

10% going to purge

Decanter

Reactor

Mixer1

Flash

ΔP=15 psia

Preheater

ΔP=2 psia

ΔP=10 psia

Heat Exchanger

ΔP=5 psia

Treatment Mixer3

Pump

80 psia

Water

Saturated 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

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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

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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

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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 &

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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 ;

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