Aspen Case 4 r

Luyben: Distillation Design and Control Using ASPEN Simulation

ASPEN SimulationScenarios-Based Tutorial – 4

Toluene Hydrodealkylation Process

Cheng-Liang Chen

PSELABORATORY

Department of Chemical EngineeringNational TAIWAN University

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OutlinePart 1:

➢ Start-up ASPEN Plus

➢ Physical Properties of Pure Components (Benzene and Toulene)

➢ Binary Vapor-Liquid Equilibrium (Benzene and Toulene)

Part 2:

➢ Distillation Short-cut Design: DSTWU (Benzene and Toulene)

➢ Rigorous Distillation Simulator: RadFrac

☞ Ex: Benzene and Toluene Separation☞ Ex: Propane and iso-Butane Separation

Part 3:➢ Simulation of Multicomponent Nonideal Systems

☞ Ex: Methyl Acetate / Methanol / Water☞ Ex: Ethanol Dehydration☞ Ex: Heat-integrated Columns (Methanol / Water)

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Part 4:

Plant-wide Process SimulationToluene Hydrodealkylation Process

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Block Flow Process DiagramA Block Flow Diagram (BFD) Drawn for A Single Process

Production of Benzene via the Hydrodealkylation of Toluene

C7H8 + H2 −→ C6H6 + CH4

Compound BP (oC)

Hydrogen H2 −253

Methane CH4 −164

Benzene 80.1

Toluene 110.6

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C7H8 + H2 −→ C6H6 + CH4

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C7H8 + H2 −→ C6H6 + CH4

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BFDA Block Flow Diagram (BFD) Drawn for A Single Process

C7H8 + H2 −→ C6H6 + CH4

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BFD ⇒ Skeleton PFDA Skeleton Process Flow Diagram Drawn for A Single Process

C7H8 + H2 −→ C6H6 + CH4

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BFD ⇒ Skeleton PFD ⇒ PFDA Process Flow Diagram (PFD) Drawn for A Single Process

C7H8 + H2 −→ C6H6 + CH4

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BFD ⇒ Skeleton PFD ⇒ PFDFlowsheet Structure Used in Simulation

C7H8 + H2 −→ C6H6 + CH4

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Required Input Data for Simulation ofToluene Hydrodealkylation Process

Equip. Simulator I/O Streams RequiredNum. Equip. No In.s Out.s Input

TK-101 mixer m-1 1 11 90 - P drop = 0 barP-101 pump p-1 90 - 2 - Outlet P = 27.0 barE-101 hexch e-1 92 - 4 - Out V frac. = 1.0H-101 heater h-1 4 - 6 - Out temp = 600oCR-101 stoic react r-1 93 - 9 - Conv of toluene = 0.75E-102 flash f-1 9 - 8 94 T=38oC; P = 23.9 barV-101 flash f-1 9 - 8 94 No input req. since

vessel is associated withflash operation.

V-103 flash f-2 94 - 17 18 T=38oC; P=2.8 barE-103 hexch e-2 18 - 10 - Outlet T= 90oCT-101 shortcut t-1 10 - 19 11 Recovery in top product

tower benzene=0.99; toluene=0.01R/Rmin = 1.5; dP = 0.3 bar

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C7H8 + H2 −→ C6H6 + CH4

Equilibrium and Reaction Kinetics DataNo side reactions; Reaction is kinetically controlled

Equilibrium Constant (T in units of K)

ln (Kp) = 13.51 +5037T− 2.073 ln(T ) + 3.499× 10−4T + 4.173× 10−8T 2 +

3017T 2

Kp = 265 at reaction condition of 600oC (873K)

Heat of Reaction

∆Hrx = −37190− 17.24T + 29.09× 10−4T 2 + 0.6939× 10−6T 3 +50160

∆Hrx = −49500kJ

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Equip. Simulator I/O Streams RequiredNum. Equip. No In.s Out.s InputE-104 shortcut t-1 10 - 19 11 Included inE-106 tower t-1 10 - 19 11 tower simulationV-102 t-1 10 - 19 11 Not requiredP-102 shortcut t-1 10 - 19 11 in simulationE-105 hexch e-3 95 - 15 - Outlet T= 38oCC-101 compr c-1 97 - 98 - Outlet P=25.5 bar

mixer m-2 3 5 91 - Pressure drop = 0 barmixer m-3 2 91 92 - Pressure drop = 0 barmixer m-4 6 7 93 - Pressure drop = 0 barmixer m-5 17 96 99 - Pressure drop = 0 barmixer m-6 99 100 16 - Pressure drop = 0 barsplitter s-1 8 - 97 96 Pressure drop = 0 barsplitter s-2 98 - 5 7 Pressure drop = 0 barsplitter s-3 19 - 100 95 Pressure drop = 0 bar

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Feed Stream Properties andEstimates of Recycle Streams

Stream 1 Stream 3 Stream 11 Stream 5 Stream 7

Temperature (oC) 25.0 25.0 150.0 50.0 50.0

Pressure (bar) 1.9 25.5 2.8 25.5 25.5

Hydrogen (kmol/h) - 286.0 - 200.0 20.0

Methane (kmol/h) - 15.0 - 200.0 20.0

Benzene (kmol/h) - - - - -

Toluene (kmol/h) 108.7 - 30.0 - -

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The summary table for the Benzene processStream 1 2 3 4 5 6 7 8 9 10

Temp (oC) 25. 59. 25. 225. 41. 600. 41. 38. 654. 90.

Pressure (bar) 1.90 25.8 25.5 25.2 25.5 25.0 25.5 23.9 24.0 2.6

Vapor Fraction 0.0 0.0 1.00 1.0 1.0 1.0 1.0 1.0 1.0 0.0

Flow (ton/h) 10.0 13.3 0.82 20.5 6.41 20.5 0.36 9.2 20.9 11.6

Flow (kmol/h) 108.7 144.2 301.0 1204.4 758.8 1204.4 42.6 1100.8 1247.0 142.2

Component Mole Flow (kmol/h)

Hydrogen 0.0 0.0 286.0 735.4 449.4 735.4 25.2 651.9 652.6 0.02

Methane 0.0 0.0 15.0 317.3 302.2 317.3 16.95 438.3 442.3 0.88

Benzene 0.0 1.0 0.0 7.6 6.6 7.6 0.37 9.55 116.0 106.3

Toluene 108.7 143.2 0.0 144.0 0.7 144.0 0.04 1.05 36.0 35.0

Stream 11 12 13 14 15 16 17 18 19 —

Temp (oC) 147. 112. 112. 112. 38. 38. 38. 38. 112. -.-

Pressure (bar) 2.8 3.3 2.5 3.3 2.3 2.5 2.8 2.9 2.5 -.-

Vapor Fraction 0.0 0.0 0.0 0.0 0.0 1.0 1.0 0.0 1.0 -.-

Flow (ton/h) 3.27 14.0 22.7 22.7 8.21 2.61 0.07 11.5 0.01 -.-

Flow (kmol/h) 35.7 185.2 290.7 290.7 105.6 304.2 4.06 142.2 0.90 -.-

Hydrogen 0.0 0.0 0.02 0.0 0.0 178.0 0.67 0.02 0.02 -.-

Methane 0.0 0.0 0.88 0.0 0.0 123.05 3.10 0.88 0.88 -.-

Benzene 1.1 184.3 289.46 289.46 105.2 2.85 0.26 106.3 0.0 -.-

Toluene 34.6 0.88 1.22 1.22 0.4 0.31 0.03 35.0 0.0 -.-

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Temp (oC) 25. 59. 25. 225. 41. 600. 41. 38. 654. 90.

Pressure (bar) 1.90 25.8 25.5 25.2 25.5 25.0 25.5 23.9 24.0 2.6

Vapor Fraction 0.0 0.0 1.00 1.0 1.0 1.0 1.0 1.0 1.0 0.0

Flow (ton/h) 10.0 13.3 0.82 20.5 6.41 20.5 0.36 9.2 20.9 11.6

Flow (kmol/h) 108.7 144.2 301.0 1204.4 758.8 1204.4 42.6 1100.8 1247.0 142.2

Hydrogen 0.0 0.0 286.0 735.4 449.4 735.4 25.2 651.9 652.6 0.02

Methane 0.0 0.0 15.0 317.3 302.2 317.3 16.95 438.3 442.3 0.88

Benzene 0.0 1.0 0.0 7.6 6.6 7.6 0.37 9.55 116.0 106.3

Toluene 108.7 143.2 0.0 144.0 0.7 144.0 0.04 1.05 36.0 35.0

Stream 11 12 13 14 15 16 17 18 19 —

Temp (oC) 147. 112. 112. 112. 38. 38. 38. 38. 112. -.-

Pressure (bar) 2.8 3.3 2.5 3.3 2.3 2.5 2.8 2.9 2.5 -.-

Vapor Fraction 0.0 0.0 0.0 0.0 0.0 1.0 1.0 0.0 1.0 -.-

Flow (ton/h) 3.27 14.0 22.7 22.7 8.21 2.61 0.07 11.5 0.01 -.-

Flow (kmol/h) 35.7 185.2 290.7 290.7 105.6 304.2 4.06 142.2 0.90 -.-

Hydrogen 0.0 0.0 0.02 0.0 0.0 178.0 0.67 0.02 0.02 -.-

Methane 0.0 0.0 0.88 0.0 0.0 123.05 3.10 0.88 0.88 -.-

Benzene 1.1 184.3 289.46 289.46 105.2 2.85 0.26 106.3 0.0 -.-

Toluene 34.6 0.88 1.22 1.22 0.4 0.31 0.03 35.0 0.0 -.-

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Temp (oC) 25. 59. 25. 225. 41. 600. 41. 38. 654. 90.

Pressure (bar) 1.90 25.8 25.5 25.2 25.5 25.0 25.5 23.9 24.0 2.6

Vapor Fraction 0.0 0.0 1.00 1.0 1.0 1.0 1.0 1.0 1.0 0.0

Flow (ton/h) 10.0 13.3 0.82 20.5 6.41 20.5 0.36 9.2 20.9 11.6

Flow (kmol/h) 108.7 144.2 301.0 1204.4 758.8 1204.4 42.6 1100.8 1247.0 142.2

Hydrogen 0.0 0.0 286.0 735.4 449.4 735.4 25.2 651.9 652.6 0.02

Methane 0.0 0.0 15.0 317.3 302.2 317.3 16.95 438.3 442.3 0.88

Benzene 0.0 1.0 0.0 7.6 6.6 7.6 0.37 9.55 116.0 106.3

Toluene 108.7 143.2 0.0 144.0 0.7 144.0 0.04 1.05 36.0 35.0

Stream 11 12 13 14 15 16 17 18 19 —

Temp (oC) 147. 112. 112. 112. 38. 38. 38. 38. 112. -.-

Pressure (bar) 2.8 3.3 2.5 3.3 2.3 2.5 2.8 2.9 2.5 -.-

Vapor Fraction 0.0 0.0 0.0 0.0 0.0 1.0 1.0 0.0 1.0 -.-

Flow (ton/h) 3.27 14.0 22.7 22.7 8.21 2.61 0.07 11.5 0.01 -.-

Flow (kmol/h) 35.7 185.2 290.7 290.7 105.6 304.2 4.06 142.2 0.90 -.-

Hydrogen 0.0 0.0 0.02 0.0 0.0 178.0 0.67 0.02 0.02 -.-

Methane 0.0 0.0 0.88 0.0 0.0 123.05 3.10 0.88 0.88 -.-

Benzene 1.1 184.3 289.46 289.46 105.2 2.85 0.26 106.3 0.0 -.-

Toluene 34.6 0.88 1.22 1.22 0.4 0.31 0.03 35.0 0.0 -.-

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Process Flow DiagramExample 1.3: Check Species Conversion

Determine the conversion per pass of toluene to benzene in R-101 in

Figure 1.3. Conversion is defined as

ε =benzene produced

total toluene introduced

From the PFD, the input streams to R-101 are shown as Stream 6

(reactor feed) and Stream 7 (recycle gas quench), and the outputstream is Stream 9 (reactor effluent stream). From the information

in Table 1.5 (units are kmol/h):

toluene introduced= 144 (Stream 6)+ 0.04 (Stream 7)= 144.04 kmol/h

benzene produced= 116 (Stream 9)− 7.6 (Stream 6)− 0.37 (Stream 7)

= 108.03 kmol/h

ε= 108.03/144.04= 0.75

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Process Flow DiagramExample 1.3: Check Species Conversion

Alternatively, we can write

moles ofbenzeneproduced

= toluenein (6+7)

− tolueneout (9)

= 144.04− 36.00

= 108.04 kmol/h

ε =108.04144.04

= 0.75

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Temp (oC) 25. 59. 25. 225. 41. 600. 41. 38. 654. 90.

Pressure (bar) 1.90 25.8 25.5 25.2 25.5 25.0 25.5 23.9 24.0 2.6

Vapor Fraction 0.0 0.0 1.00 1.0 1.0 1.0 1.0 1.0 1.0 0.0

Flow (ton/h) 10.0 13.3 0.82 20.5 6.41 20.5 0.36 9.2 20.9 11.6

Flow (kmol/h) 108.7 144.2 301.0 1204.4 758.8 1204.4 42.6 1100.8 1247.0 142.2

Hydrogen 0.0 0.0 286.0 735.4 449.4 735.4 25.2 651.9 652.6 0.02

Methane 0.0 0.0 15.0 317.3 302.2 317.3 16.95 438.3 442.3 0.88

Benzene 0.0 1.0 0.0 7.6 6.6 7.6 0.37 9.55 116.0 106.3

Toluene 108.7 143.2 0.0 144.0 0.7 144.0 0.04 1.05 36.0 35.0

Stream 11 12 13 14 15 16 17 18 19 —

Temp (oC) 147. 112. 112. 112. 38. 38. 38. 38. 112. -.-

Pressure (bar) 2.8 3.3 2.5 3.3 2.3 2.5 2.8 2.9 2.5 -.-

Vapor Fraction 0.0 0.0 0.0 0.0 0.0 1.0 1.0 0.0 1.0 -.-

Flow (ton/h) 3.27 14.0 22.7 22.7 8.21 2.61 0.07 11.5 0.01 -.-

Flow (kmol/h) 35.7 185.2 290.7 290.7 105.6 304.2 4.06 142.2 0.90 -.-

Hydrogen 0.0 0.0 0.02 0.0 0.0 178.0 0.67 0.02 0.02 -.-

Methane 0.0 0.0 0.88 0.0 0.0 123.05 3.10 0.88 0.88 -.-

Benzene 1.1 184.3 289.46 289.46 105.2 2.85 0.26 106.3 0.0 -.-

Toluene 34.6 0.88 1.22 1.22 0.4 0.31 0.03 35.0 0.0 -.-

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Thank You for Your Attention

Questions Are Welcome

Aspen Case 4 r

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