Luyben: Distillation Design and Control Using ASPEN Simulation

ASPEN Simulation
Scenarios-Based Tutorial 4 Toluene Hydrodealkylation Process

Cheng-Liang Chen
LABORATORY

PSE

Department of Chemical Engineering National TAIWAN University

Chen CL

Outline
Part 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

Part 4:

Plant-wide Process Simulation

Toluene Hydrodealkylation Process

Chen CL

Block Flow Process Diagram

A Block Flow Diagram (BFD) Drawn for A Single Process Production of Benzene via the Hydrodealkylation of Toluene C7H8 + H2 C6H6 + CH4 BP (oC) H2 CH4 253 164 80.1

Compound Hydrogen Methane Benzene

Toluene

110.6

Chen CL

Block Flow Process Diagram

A Block Flow Diagram (BFD) Drawn for A Single Process Production of Benzene via the Hydrodealkylation of Toluene C7H8 + H2 C6H6 + CH4

Chen CL

Block Flow Process Diagram

A Block Flow Diagram (BFD) Drawn for A Single Process Production of Benzene via the Hydrodealkylation of Toluene C7H8 + H2 C6H6 + CH4

Chen CL

BFD
A Block Flow Diagram (BFD) Drawn for A Single Process Production of Benzene via the Hydrodealkylation of Toluene C7H8 + H2 C6H6 + CH4

Chen CL

BFD Skeleton PFD

A Skeleton Process Flow Diagram Drawn for A Single Process Production of Benzene via the Hydrodealkylation of Toluene C7H8 + H2 C6H6 + CH4

Chen CL

BFD Skeleton PFD PFD

A Process Flow Diagram (PFD) Drawn for A Single Process Production of Benzene via the Hydrodealkylation of Toluene C7H8 + H2 C6H6 + CH4

Chen CL

BFD Skeleton PFD PFD

Flowsheet Structure Used in Simulation Production of Benzene via the Hydrodealkylation of Toluene C7H8 + H2 C6H6 + CH4

Chen CL

10

Required Input Data for Simulation of Toluene Hydrodealkylation Process

Equip. Num. TK-101 P-101 E-101 H-101 R-101 E-102 V-101 V-103 E-103 T-101 Simulator Equip. No mixer m-1 pump p-1 hexch e-1 heater h-1 stoic react r-1 ash f-1 ash f-1 ash hexch shortcut tower f-2 e-2 t-1 I/O Streams In.s Out.s 1 11 90 90 2 92 4 4 6 93 9 9 8 94 9 8 94 94 18 10 17 10 19 18 11 Required Input P drop = 0 bar Outlet P = 27.0 bar Out V frac. = 1.0 Out temp = 600oC Conv of toluene = 0.75 T=38oC; P = 23.9 bar No input req. since vessel is associated with ash operation. T=38oC; P=2.8 bar Outlet T= 90oC Recovery in top product benzene=0.99; toluene=0.01 R/Rmin = 1.5; dP = 0.3 bar

Chen CL

11

Required Input Data for Simulation of Toluene Hydrodealkylation Process

C7H8 + H2 C6H6 + CH4 Equilibrium and Reaction Kinetics Data No side reactions; Reaction is kinetically controlled Equilibrium Constant (T in units of K) ln (Kp) = 13.51 + Kp
5037 3017 2.073 ln(T ) + 3.499 104T + 4.173 108T 2 + 2 T T

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

Heat of Reaction Hrx = 37190 17.24T + 29.09 104T 2 + 0.6939 106T 3 + T kJ Hrx = 49500 kmole
50160

kJ kmole

Chen CL

12

Required Input Data for Simulation of Toluene Hydrodealkylation Process

Equip. Num. E-104 E-106 V-102 P-102 E-105 C-101 Simulator Equip. No shortcut t-1 tower t-1 t-1 shortcut t-1 hexch e-3 compr c-1 mixer m-2 mixer m-3 mixer m-4 mixer m-5 mixer m-6 splitter s-1 splitter s-2 splitter s-3 I/O Streams In.s Out.s 10 19 11 10 19 11 10 19 11 10 19 11 95 15 97 98 3 5 91 2 91 92 6 7 93 17 96 99 99 100 16 8 97 96 98 5 7 19 - 100 95 Required Input Included in tower simulation Not required in simulation Outlet T= 38oC Outlet P=25.5 bar Pressure drop = 0 bar Pressure drop = 0 bar Pressure drop = 0 bar Pressure drop = 0 bar Pressure drop = 0 bar Pressure drop = 0 bar Pressure drop = 0 bar Pressure drop = 0 bar

Chen CL

13

Feed Stream Properties and Estimates of Recycle Streams

Stream 1 Temperature (oC) Pressure (bar) Hydrogen (kmol/h) Methane (kmol/h) Benzene (kmol/h) Toluene (kmol/h) 25.0 1.9 108.7 Stream 3 25.0 25.5 286.0 15.0 Stream 11 150.0 2.8 30.0 Stream 5 50.0 25.5 200.0 200.0 Stream 7 50.0 25.5 20.0 20.0 -

Chen CL

14

The summary table for the Benzene process

Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene 1 25. 1.90 0.0 10.0 108.7 0.0 0.0 0.0 108.7 11 147. 2.8 0.0 3.27 35.7 0.0 0.0 1.1 34.6 2 59. 25.8 0.0 13.3 144.2 0.0 0.0 1.0 143.2 12 112. 3.3 0.0 14.0 185.2 0.0 0.0 184.3 0.88 3 25. 25.5 1.00 0.82 301.0 286.0 15.0 0.0 0.0 13 112. 2.5 0.0 22.7 290.7 0.02 0.88 289.46 1.22 4 225. 25.2 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 14 112. 3.3 0.0 22.7 290.7 0.0 0.0 1.22 5 41. 25.5 1.0 6.41 758.8 449.4 302.2 6.6 0.7 15 38. 2.3 0.0 8.21 105.6 0.0 0.0 0.4 6 600. 25.0 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 16 38. 2.5 1.0 2.61 304.2 178.0 123.05 2.85 0.31 7 41. 25.5 1.0 0.36 42.6 25.2 16.95 0.37 0.04 17 38. 2.8 1.0 0.07 4.06 0.67 3.10 0.26 0.03 8 38. 23.9 1.0 9.2 1100.8 651.9 438.3 9.55 1.05 18 38. 2.9 0.0 11.5 142.2 0.02 0.88 106.3 35.0 9 654. 24.0 1.0 20.9 1247.0 652.6 442.3 116.0 36.0 19 112. 2.5 1.0 0.01 0.90 0.02 0.88 0.0 0.0 10 90. 2.6 0.0 11.6 142.2 0.02 0.88 106.3 35.0 -.-.-.-.-.-.-.-.-.-

Component Mole Flow (kmol/h)

Component Mole Flow (kmol/h)

289.46 105.2

Chen CL

15

The summary table for the Benzene process

Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene 1 25. 1.90 0.0 10.0 108.7 0.0 0.0 0.0 108.7 11 147. 2.8 0.0 3.27 35.7 0.0 0.0 1.1 34.6 2 59. 25.8 0.0 13.3 144.2 0.0 0.0 1.0 143.2 12 112. 3.3 0.0 14.0 185.2 0.0 0.0 184.3 0.88 3 25. 25.5 1.00 0.82 301.0 286.0 15.0 0.0 0.0 13 112. 2.5 0.0 22.7 290.7 0.02 0.88 289.46 1.22 4 225. 25.2 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 14 112. 3.3 0.0 22.7 290.7 0.0 0.0 1.22 5 41. 25.5 1.0 6.41 758.8 449.4 302.2 6.6 0.7 15 38. 2.3 0.0 8.21 105.6 0.0 0.0 0.4 6 600. 25.0 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 16 38. 2.5 1.0 2.61 304.2 178.0 123.05 2.85 0.31 7 41. 25.5 1.0 0.36 42.6 25.2 16.95 0.37 0.04 17 38. 2.8 1.0 0.07 4.06 0.67 3.10 0.26 0.03 8 38. 23.9 1.0 9.2 1100.8 651.9 438.3 9.55 1.05 18 38. 2.9 0.0 11.5 142.2 0.02 0.88 106.3 35.0 9 654. 24.0 1.0 20.9 1247.0 652.6 442.3 116.0 36.0 19 112. 2.5 1.0 0.01 0.90 0.02 0.88 0.0 0.0 10 90. 2.6 0.0 11.6 142.2 0.02 0.88 106.3 35.0 -.-.-.-.-.-.-.-.-.-

Component Mole Flow (kmol/h)

Component Mole Flow (kmol/h)

289.46 105.2

Chen CL

16

The summary table for the Benzene process

Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene 1 25. 1.90 0.0 10.0 108.7 0.0 0.0 0.0 108.7 11 147. 2.8 0.0 3.27 35.7 0.0 0.0 1.1 34.6 2 59. 25.8 0.0 13.3 144.2 0.0 0.0 1.0 143.2 12 112. 3.3 0.0 14.0 185.2 0.0 0.0 184.3 0.88 3 25. 25.5 1.00 0.82 301.0 286.0 15.0 0.0 0.0 13 112. 2.5 0.0 22.7 290.7 0.02 0.88 289.46 1.22 4 225. 25.2 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 14 112. 3.3 0.0 22.7 290.7 0.0 0.0 1.22 5 41. 25.5 1.0 6.41 758.8 449.4 302.2 6.6 0.7 15 38. 2.3 0.0 8.21 105.6 0.0 0.0 0.4 6 600. 25.0 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 16 38. 2.5 1.0 2.61 304.2 178.0 123.05 2.85 0.31 7 41. 25.5 1.0 0.36 42.6 25.2 16.95 0.37 0.04 17 38. 2.8 1.0 0.07 4.06 0.67 3.10 0.26 0.03 8 38. 23.9 1.0 9.2 1100.8 651.9 438.3 9.55 1.05 18 38. 2.9 0.0 11.5 142.2 0.02 0.88 106.3 35.0 9 654. 24.0 1.0 20.9 1247.0 652.6 442.3 116.0 36.0 19 112. 2.5 1.0 0.01 0.90 0.02 0.88 0.0 0.0 10 90. 2.6 0.0 11.6 142.2 0.02 0.88 106.3 35.0 -.-.-.-.-.-.-.-.-.-

Component Mole Flow (kmol/h)

Component Mole Flow (kmol/h)

289.46 105.2

Chen CL

17

Process Flow Diagram

Example 1.3: Check Species Conversion
Determine the conversion per pass of toluene to benzene in R-101 in Figure 1.3. Conversion is dened as 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 output stream is Stream 9 (reactor euent 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 = 108.03/144.04 = 0.75

Chen CL

18

Process Flow Diagram

Example 1.3: Check Species Conversion
Alternatively, we can write moles of benzene = produced toluene toluene = 144.04 36.00 in (6+7) out (9)

= 108.04 kmol/h 108.04 = 144.04 = 0.75

Chen CL

19

The summary table for the Benzene process

Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene Stream Temp (o C) Pressure (bar) Vapor Fraction Flow (ton/h) Flow (kmol/h) Hydrogen Methane Benzene Toluene 1 25. 1.90 0.0 10.0 108.7 0.0 0.0 0.0 108.7 11 147. 2.8 0.0 3.27 35.7 0.0 0.0 1.1 34.6 2 59. 25.8 0.0 13.3 144.2 0.0 0.0 1.0 143.2 12 112. 3.3 0.0 14.0 185.2 0.0 0.0 184.3 0.88 3 25. 25.5 1.00 0.82 301.0 286.0 15.0 0.0 0.0 13 112. 2.5 0.0 22.7 290.7 0.02 0.88 289.46 1.22 4 225. 25.2 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 14 112. 3.3 0.0 22.7 290.7 0.0 0.0 1.22 5 41. 25.5 1.0 6.41 758.8 449.4 302.2 6.6 0.7 15 38. 2.3 0.0 8.21 105.6 0.0 0.0 0.4 6 600. 25.0 1.0 20.5 1204.4 735.4 317.3 7.6 144.0 16 38. 2.5 1.0 2.61 304.2 178.0 123.05 2.85 0.31 7 41. 25.5 1.0 0.36 42.6 25.2 16.95 0.37 0.04 17 38. 2.8 1.0 0.07 4.06 0.67 3.10 0.26 0.03 8 38. 23.9 1.0 9.2 1100.8 651.9 438.3 9.55 1.05 18 38. 2.9 0.0 11.5 142.2 0.02 0.88 106.3 35.0 9 654. 24.0 1.0 20.9 1247.0 652.6 442.3 116.0 36.0 19 112. 2.5 1.0 0.01 0.90 0.02 0.88 0.0 0.0 10 90. 2.6 0.0 11.6 142.2 0.02 0.88 106.3 35.0 -.-.-.-.-.-.-.-.-.-

Component Mole Flow (kmol/h)

Component Mole Flow (kmol/h)

289.46 105.2

Chen CL

20

Toluene Hydrodealkylation Process

Chen CL

21

Toluene Hydrodealkylation Process

Chen CL

22

Toluene Hydrodealkylation Process

Chen CL

23

Toluene Hydrodealkylation Process

Chen CL

24

Toluene Hydrodealkylation Process

Chen CL

25

Toluene Hydrodealkylation Process

Chen CL

26

Toluene Hydrodealkylation Process

Chen CL

27

Toluene Hydrodealkylation Process

Chen CL

28

Toluene Hydrodealkylation Process

Chen CL

29

Toluene Hydrodealkylation Process

Chen CL

30

Toluene Hydrodealkylation Process

Chen CL

31

Toluene Hydrodealkylation Process

Chen CL

32

Toluene Hydrodealkylation Process

Chen CL

33

Toluene Hydrodealkylation Process

Chen CL

34

Toluene Hydrodealkylation Process

Chen CL

35

Toluene Hydrodealkylation Process

Chen CL

36

Toluene Hydrodealkylation Process

Chen CL

37

Toluene Hydrodealkylation Process

Chen CL

38

Toluene Hydrodealkylation Process

Chen CL

39

Toluene Hydrodealkylation Process

Chen CL

40

Toluene Hydrodealkylation Process

Chen CL

41

Toluene Hydrodealkylation Process

Chen CL

42

Toluene Hydrodealkylation Process

Chen CL

43

Toluene Hydrodealkylation Process

Chen CL

44

Toluene Hydrodealkylation Process

Chen CL

45

Toluene Hydrodealkylation Process

Chen CL

46

Toluene Hydrodealkylation Process

Chen CL

47

Toluene Hydrodealkylation Process

Chen CL

48

Toluene Hydrodealkylation Process

Chen CL

49

Toluene Hydrodealkylation Process

Chen CL

50

Toluene Hydrodealkylation Process

Chen CL

51

Toluene Hydrodealkylation Process

Chen CL

52

Toluene Hydrodealkylation Process

Chen CL

53

Toluene Hydrodealkylation Process

Chen CL

54

Toluene Hydrodealkylation Process

Chen CL

55

Toluene Hydrodealkylation Process

Chen CL

56

Toluene Hydrodealkylation Process

Chen CL

57

Toluene Hydrodealkylation Process

Chen CL

58

Toluene Hydrodealkylation Process

Chen CL

59

Toluene Hydrodealkylation Process

Chen CL

60

Toluene Hydrodealkylation Process

Chen CL

61

Toluene Hydrodealkylation Process

Chen CL

62

Toluene Hydrodealkylation Process

Chen CL

63

Toluene Hydrodealkylation Process

Chen CL

64

Toluene Hydrodealkylation Process

Chen CL

65

Toluene Hydrodealkylation Process

Chen CL

66

Toluene Hydrodealkylation Process

Chen CL

67

Toluene Hydrodealkylation Process

Chen CL

68

Toluene Hydrodealkylation Process

Chen CL

69

Toluene Hydrodealkylation Process

Chen CL

70

Toluene Hydrodealkylation Process

Chen CL

71

Toluene Hydrodealkylation Process

Chen CL

72

Toluene Hydrodealkylation Process

Chen CL

73

Toluene Hydrodealkylation Process

Chen CL

74

Toluene Hydrodealkylation Process

Chen CL

75

Toluene Hydrodealkylation Process

Chen CL

76

Toluene Hydrodealkylation Process

Chen CL

77

Toluene Hydrodealkylation Process

Chen CL

78

Toluene Hydrodealkylation Process

Chen CL

79

Toluene Hydrodealkylation Process

Chen CL

80

Toluene Hydrodealkylation Process

Chen CL

81

Toluene Hydrodealkylation Process

Chen CL

82

Toluene Hydrodealkylation Process

Chen CL

83

Toluene Hydrodealkylation Process

Chen CL

84

Toluene Hydrodealkylation Process

Chen CL

85

Toluene Hydrodealkylation Process

Chen CL

86

Toluene Hydrodealkylation Process

Chen CL

87

Toluene Hydrodealkylation Process

Chen CL

88

Toluene Hydrodealkylation Process

Chen CL

89

Toluene Hydrodealkylation Process

Chen CL

90

Toluene Hydrodealkylation Process

Chen CL

91

Toluene Hydrodealkylation Process

Chen CL

92

Toluene Hydrodealkylation Process

Chen CL

93

Toluene Hydrodealkylation Process

Chen CL

94

Toluene Hydrodealkylation Process

Chen CL

95

Toluene Hydrodealkylation Process

Chen CL

96

Toluene Hydrodealkylation Process

Chen CL

97

Toluene Hydrodealkylation Process

Chen CL

98

Toluene Hydrodealkylation Process

Chen CL

99

Toluene Hydrodealkylation Process

Chen CL

100

Toluene Hydrodealkylation Process

Chen CL

101

Toluene Hydrodealkylation Process

Chen CL

102

Toluene Hydrodealkylation Process

Chen CL

103

Toluene Hydrodealkylation Process

Chen CL

104

Toluene Hydrodealkylation Process

Chen CL

105

Toluene Hydrodealkylation Process

Chen CL

106

Toluene Hydrodealkylation Process

Chen CL

107

Toluene Hydrodealkylation Process

Chen CL

108

Toluene Hydrodealkylation Process

Chen CL

109

Toluene Hydrodealkylation Process

Chen CL

110

Toluene Hydrodealkylation Process

Chen CL

111

Toluene Hydrodealkylation Process

Chen CL

112

Toluene Hydrodealkylation Process

Chen CL

113

Toluene Hydrodealkylation Process

Chen CL

114

Toluene Hydrodealkylation Process

Chen CL

115

Toluene Hydrodealkylation Process

Chen CL

116

Toluene Hydrodealkylation Process

Chen CL

117

Toluene Hydrodealkylation Process

Chen CL

118

Toluene Hydrodealkylation Process

Chen CL

119

Toluene Hydrodealkylation Process

Chen CL

120

Toluene Hydrodealkylation Process

Chen CL

121

Toluene Hydrodealkylation Process

Chen CL

122

Toluene Hydrodealkylation Process

Chen CL

123

Toluene Hydrodealkylation Process

Chen CL

124

Toluene Hydrodealkylation Process

Chen CL

125

Toluene Hydrodealkylation Process

Chen CL

126

Toluene Hydrodealkylation Process

Chen CL

127

Toluene Hydrodealkylation Process

Chen CL

128

Toluene Hydrodealkylation Process

Chen CL

129

Toluene Hydrodealkylation Process

Chen CL

130

Toluene Hydrodealkylation Process

Chen CL

131

Toluene Hydrodealkylation Process

Chen CL

132

Toluene Hydrodealkylation Process

Chen CL

133

Toluene Hydrodealkylation Process

Chen CL

134

Toluene Hydrodealkylation Process

Chen CL

135

Toluene Hydrodealkylation Process

Chen CL

136

Thank You for Your Attention

Questions Are Welcome