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

Chen CL 1

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)

Chen CL 2

Part 4:

Plant-wide Process SimulationToluene Hydrodealkylation Process

Chen CL 3

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

Chen CL 4



C7H8 + H2 −→ C6H6 + CH4

Chen CL 5



C7H8 + H2 −→ C6H6 + CH4

Chen CL 6

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


C7H8 + H2 −→ C6H6 + CH4

Chen CL 7

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


C7H8 + H2 −→ C6H6 + CH4

Chen CL 8

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


C7H8 + H2 −→ C6H6 + CH4

Chen CL 9

BFD ⇒ Skeleton PFD ⇒ PFDFlowsheet Structure Used in Simulation


C7H8 + H2 −→ C6H6 + CH4

Chen CL 10

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

Chen CL 11


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

T

kJ

kmole

∆Hrx = −49500kJ

kmole

Chen CL 12


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

Chen CL 13

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 - -

Chen CL 14

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 -.-

Chen CL 15


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 -.-

Chen CL 16


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 -.-

Chen CL 17

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

Chen CL 18

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

Chen CL 19


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 -.-

Chen CL 20


Chen CL 21


Chen CL 22


Chen CL 23


Chen CL 24


Chen CL 25


Chen CL 26


Chen CL 27


Chen CL 28


Chen CL 29


Chen CL 30


Chen CL 31


Chen CL 32


Chen CL 33


Chen CL 34


Chen CL 35


Chen CL 36


Chen CL 37


Chen CL 38


Chen CL 39


Chen CL 40


Chen CL 41


Chen CL 42


Chen CL 43


Chen CL 44


Chen CL 45


Chen CL 46


Chen CL 47


Chen CL 48


Chen CL 49


Chen CL 50


Chen CL 51


Chen CL 52


Chen CL 53


Chen CL 54


Chen CL 55


Chen CL 56


Chen CL 57


Chen CL 58


Chen CL 59


Chen CL 60


Chen CL 61


Chen CL 62


Chen CL 63


Chen CL 64


Chen CL 65


Chen CL 66


Chen CL 67


Chen CL 68


Chen CL 69


Chen CL 70


Chen CL 71


Chen CL 72


Chen CL 73


Chen CL 74


Chen CL 75


Chen CL 76


Chen CL 77


Chen CL 78


Chen CL 79


Chen CL 80


Chen CL 81


Chen CL 82


Chen CL 83


Chen CL 84


Chen CL 85


Chen CL 86


Chen CL 87


Chen CL 88


Chen CL 89


Chen CL 90


Chen CL 91


Chen CL 92


Chen CL 93


Chen CL 94


Chen CL 95


Chen CL 96


Chen CL 97


Chen CL 98


Chen CL 99


Chen CL 100


Chen CL 101


Chen CL 102


Chen CL 103


Chen CL 104


Chen CL 105


Chen CL 106


Chen CL 107


Chen CL 108


Chen CL 109


Chen CL 110


Chen CL 111


Chen CL 112


Chen CL 113


Chen CL 114


Chen CL 115


Chen CL 116


Chen CL 117


Chen CL 118


Chen CL 119


Chen CL 120


Chen CL 121


Chen CL 122


Chen CL 123


Chen CL 124


Chen CL 125


Chen CL 126


Chen CL 127


Chen CL 128


Chen CL 129


Chen CL 130


Chen CL 131


Chen CL 132


Chen CL 133


Chen CL 134


Chen CL 135


Chen CL 136

Thank You for Your Attention

Questions Are Welcome

aspen case 4 r

Documents