APPENDIX

Listed here are the detailed calculation for each design option for the

Hydrodealkylation Processing unit.

Material and Energy Balance

1. Design Option 1

Equipment: Toluene Mixing Tank (M-01)

Diagram:

S1:
Toluene Feed
S2:
Toluene Mixture
S24:
Recycle Toluene

Material Balance:

Inlet = Outlet
MS1 + MS24 = MS2
62.8 kg mol/hr + 20.772 kg mol/hr = 83.572 kg mol/hr

101
Equipment: Hydrogen Mixing Tank (M-02)

Diagram:

S17:
Hydrogen Feed
S16:
Hydrogen Mixture
S14:
Recycle H2

Material Balance:

Inlet = Outlet
MS17 + MS14 = MS16
173.899 kg mol/hr + 230.871 kg mol/hr = 404.77 kg mol/hr

102
Equipment: Toluene Pump (P-01)

Diagram:
S3:
Toluene Mixture
S2:
Toluene Mixture

Material Balance:

Inlet = Outlet
MS2 = MS3
83.572 kg mol/hr = 83.572 kg mol/hr

Energy Balance:

MW = yA(MW A) + yB(MWB); A=Toluene, B= Benzene

MW = 0.993(92.14 kg/kmol) + 0.007(78.11kg/kmol)
MW = 92.04 kg/kmol

Density = yA(ρA) + yB(ρB); A=Toluene, B= Benzene

Density = 0.993(867 kg/m3) + 0.007(876 kg/m3)
Density = 867.06 kg/m3

V=molar flowrate * molar mass * density-1

V=(83.572 kmol/hr)(92.04 kg/kmol)(867.06 kg/m3)-1(1hr/3600s)
V=2.464255607x10-3 m3/s

103
Win + PVin = PVout
Win + (190000 Pa)( 2.464255607x10-3 m3/s) = 2550000 Pa (2.464255607x10-3
m3/s)
Win = 5815.643233 J/s = 5.815 kW

104
Equipment: Feed Mixing Tank (M-03)

Diagram:

S16:
Hydrogen
Mixture
S4:
HDA Feed
S3:
Toluene Mixture

Material Balance:

Inlet = Outlet
MS16 + MS3 = MS4
404.7 kmol/hr + 83.572 kmol/hr = 488.342 kmol/hr

105
Equipment: Preheater (E-01)

Diagram:

S4: S5:
HDA Feed Preheated HDA
Feed

Material Balance:

Inlet = Outlet
MS4 = MS5
488.342 kmol/hr = 488.342kmol/hr

Energy Balance:

MW=ΣnMW
MW=(0.17*92.14)+(1*0.618)+(16*0.206)+(78.11*0.005)
MW=19.96835 kg/kmol

Cp=6149 J/kg-K (from thermtest.com Cp calculator)

m = molar flowrate*molecular weight

m = 488.342 * 19.96835 kg/kmol
m = 9751.383976 kg/hr

106
Qin = mCp(tout-tin)
Qin = (9751.383976 kg/hr)(6149 J/kg-K)(436.905-316.219)(1hr/3600)
Qin = 2010134.62 J/s = 2010.13462 kW

107
Equipment: Furnace (E-02)

Diagram:

S5: S6:
Preheated HDA Reactor Feed
Feed

Material Balance:

Inlet = Outlet
MS5 = MS6
488.342 kg mol/hr = 488.342 kg mol/hr

Energy Balance:

MW=ΣnMW
MW=(0.17*92.14)+(1*0.618)+(16*0.206)+(78.11*0.005)
MW=19.96835 kg/kmol

Cp=6149 J/kg-K (from thermtest.com Cp calculator)

m = molar flowrate*molecular weight

m = 488.342 kmol/hr * 19.96835 kg/kmol
m = 9751.383976 kg/hr

108
Qin = mCp(tout-tin)
Qin = (9751.383976 kg/hr)(6149 J/kg-K)(873-436.905)(1hr/3600)
Qin = 7263557.141 J/s = 7263.557141 kW

109
Equipment: Reactor Feed Mixing Tank (M-04)

Diagram:
S15:
Reactor Feed
S7:
Mixed Reactor
Feed
S6:
Reactor
Hydrogen Feed

Material Balance:

Inlet = Outlet
MS15 + MS5 = MS7
488.342 kg mol/hr + 23.333 kg mol/hr = 511.675 kg mol/hr

110
Equipment: Reactor (R-01)

Diagram:

S7: S8:
Mixed Reactor Reactor Product
Feed

Material Balance:

Inlet = Outlet
MS7 = MS8
511.675 kmol/hr = 511.675 kmol/hr

111
Equipment: Cooler (E-05)

Diagram:

S8: S28:
Reactor Product Cooled Reactor
Product

Material Balance:

Inlet = Outlet
MS8 = MS28
511.675 kmol/hr = 511.675 kmol/hr

Energy Balance:

MW = ΣnMW
MW = (0.041*92.14)+(1*0.495)+(16*0.337)+(78.11*0.127)
MW = 19.58471 kg/kmol

Cp = 5354.2 J/kg-K (from thermtest.com Cp calculator)

m = molar flowrate*molecular weight

m = 511.675 kmol/hr * 19.58471 kg/kmol
m = 10021.00649 kg/hr

112
Qout = mCp(tin-tout)
Qout = (10021.00649 kg/hr)(5354.2 J/kg-K)(944.015-311)(1hr/3600)
Qout = 9434468.386 J/s = 9434.468386 kW

113
Equipment: Flash Drum (F-01)

Diagram:
S9:
Gas Overheads
S28:
Cooled Reactor
Product
S10:
Liquid Bottoms

Material Balance:

Separation: 83.5788% overheads / 16.4212%

Inlet = Outlet
MS28 = MS9 + MS10
511.675 kgmol/hr=511.675 kg mol/hr (0.835788) + 511.675 kg mol/hr (0.64212)
511.675 kg mol/hr = 427.652 kg mol/hr + 84.003 kg mol/hr

Equipment: Splitter (SP-01)

Diagram:
S12:
Recycle
Hydrogen

114
 S9:
Gas Overheads
S11:
Fuel Gas
Component

Material Balance:

Separation: 40.5142% overheads / 59.4858% bottoms

Inlet = Outlet
MS9 = MS12 + MS11
427.672 kg mol/hr=427.672 kg mol/hr(0.405142) + 427.672 kg mol/hr (59.4858)
427.672 kg mol/hr = 173.268 kg mol/hr + 254.205 kg mol/hr

115
Equipment: Compressor (C-01)

Diagram:

S12: S13:
Recycle Gas Compressed
Hydrogen

Material Balance:

Inlet = Outlet
MS12 = MS13
254.204 kg mol/hr = 254.204 kmol/hr

116
Equipment: Splitter (SP-02)

Diagram:
S14:
Recycle
Hydrogen
S13:
Gas Overheads
S15:
Reactor Hydrogen
Feed

Material Balance:

Separation: 90.8212% overheads / 9.1788% bottoms

Inlet = Outlet
MS13 = MS14 + MS15
254.204 kg mol/hr=254.204 kgmol/hr(0.908212) + 254.204 kgmol/hr(0.091788)
254.204 kg mol/hr = 230.871 kg mol/hr + 23.333 kg mol/hr

Equipment: Gas Overhead Mixing Tank (M-05)

Diagram:
S11:
Fuel Gas
commponent
S20:

117
 Mixed Fuel Gas
Component
S18:
Fuel Gas
Component

Material Balance:

Inlet = Outlet
MS11 + MS18 = MS20
173.468 kg mol/hr + 1.801 kg mol/hr = 175.269 kg mol/hr

118
Equipment: Fuel Gas Mixing Tank (M-06)

Diagram:
S20:
Mixed Fuel Gas
Component
S22:
Fuel Gas
S25:
Off Gases

Material Balance:

Inlet = Outlet
MS20 + MS25 = MS22
175.269 kg mol/hr + 0.422 kg mol/hr = 175.691 kg mol/hr

Equipment: Flash Drum (F-02)

Diagram:
S18:
Gas Overheads
S10:
Liquid bottoms
from flash drum 1
S19:

119
 Liquid Bottoms

Material Balance:

Separation: (2.144% overheads / 97.856% bottoms)

Inlet = Outlet
MS10 = MS18 + MS19
84.003 kg mol/hr = 84.003 kg mol/hr(0.02144) + 84.003 kg mol/hr(0.97856)
84.003 kg mol/hr = 1.801 kg mol/hr + 82.202 kg mol/hr

120
Equipment: Heater (E-03)

Diagram:

S19: S21:
Liquid bottoms Distillation Unit
from flash drum 2 Feed

Material Balance:

Inlet = Outlet
MS19 = MS21
82.202 kg mol/hr = 82.202 kg mol/hr

Energy Balance:

MW = ΣnMW
MW = (92.14*0.248)+(16*0.005)+(78.11*0.747)
MW = 81.27889 kg/kmol

Cp = 1707.76 J/kg-K (from thermtest.com Cp calculator)

m = molar flowrate*molecular weight

m = 82.202 kmol/hr * 81.27889 kg/kmol
m = 6681.287316 kg/hr

121
Qin = mCp(tout-tin)
Qin = (6681.287316 kg/hr)(1707.76 J/kg-K)(363-311)(1hr/3600)
Qin = 164811.6199 J/s = 164.8116199 kW

122
Equipment: Distillation Unit 1 (SC-01)

Diagram:
S23:
Distillation Unit 2
Feed
S21:
Distillation Unit
Feed
S24:
Recycle Toluene

Material Balance:

Separation: 74.7305% overheads / 25.2694% bottoms

Inlet = Outlet
MS21 = MS23 + MS24
82.202 kg mol/hr = 82.202 kg mol/hr (0.747305)+ 82.202 kg mol/hr (0.252694)
82.202 kg mol/hr = 61.43 kmol/hr + 20.772 kmol/hr

Equipment: Distillation Unit 2 (SC-02)

Diagram:
S25:
Off Gases
S23:
Distillation Unit 2

123
 Feed
S26:
Benzene

Material Balance:

Separation: 0.68696% overheads / 99.313% bottoms

Inlet = Outlet
MS21 = MS23 + MS24
61.43 kg mol/hr = 61.43 kg mol/hr (0.0068696) + 61.43 kg mol/hr (0.99313)
61.43 kg mol/hr = 0.422 kg mol/hr + 61.008 kg mol/hr

124
Equipment: Product Benzene Cooler (E-04)

Diagram:

S26: S27:
Benzene Benzene

Material Balance:

Inlet = Outlet
MS19 = MS21
61.008 kg mol/hr = 61.008 kg mol/hr

Energy Balance:

MW = ΣnMW
MW = (0.004*92.14)+(78.11*0.996)
MW = 78.16612 kg/kmol

Cp = 1700.08 J/kg-K (from thermtest.com Cp calculator)

m = molar flowrate*molecular weight

m = 61.008 kmol/hr * 78.16612 kg/kmol
m = 4768.758649 kg/hr

Qout = mCp(tin-tout)

125
Qout = (4768.758649 kg/hr)(1700.08 J/kg-K)(385-311)(1hr/3600)
Qout = 166649.4636 J/s = 166.6594636 kW

2. Design Option 2

50,000 Metric Ton/year x 1000 kg/ton = 50,000,000 kg/year

50,000,000 kg/year x 1 year/365days = 136,986.3014 kg/day

136,986.3014 kg/day x 1day/24hrs = 5707.762557 kg/hr

Mass Balance Calculations

MASS BALANCE CALCULATIONS

Equipment Diagram Efficiency Computation

mS4=5707.762557kg/hr
mS4 mS5 mwr=5707.762557(.0025)
=14.27kg/hr
Heater 100%
mS5=5707.76 – 14.27
m(water removed) =5,693.49kg/hr

mS5=5,693.49kg /hr
mvr=5,693.49(.0025)
mS5 mS6
=14.23kg/hr
Furnace 100%
mS5=5,693.49 – 14.23
m(water removed)
=5,679.26kg/hr

mS6=5,679.26kg/hr
mff=5,679.26(.12)
mS6 mS7
=681.51kg/hr
Reactor 95% mS7=5,679.26(.95) –
681.51
m(fictitious fluid)
=4713.79kg/hr

126
 mS7=4713.79kg/hr
mwr=4713.79(.0025)
mS7 mS9
=11.78kg/hr
Cooler 100% mS9=4713.79 – 11.78
=4,702.00kg/hr
m(vapor removed)

mS9=4,702.00kg/hr
mS9 mS11 mS10=4,702.00(.006)
Flash =28.21kg/hr
100%
Vessels mS11=4,702.00 – 28.21
mS10(Fuel Gas) =4,673.79kg/hr

mS12=4,673.79kg/hr
mS12 mS14 mS13=4,673.79(.006)
Flash (valve) =28.04kg/hr
100%
Vessels mS14=4,673.79 – 28.04
=4,645.75kg/hr
mS13(Fuel Gas)
mS14=4,645.75kg/hr
mS14 mS15 mwr=4,645.75(.0025)
=11.61kg/hr
Heater 100%
mS15= 4,645.75 – 11.61
m(water removed) = 4,634.13kg/hr

mS15=4,634.13kg/hr
mS15 mS17
mS16=4,634.13(.006)
Fictitious =27.80kg/hr
100%
Unit mS17=4,634.13 – 27.80
mS16(fuel gas)
=4606.33kg/hr

mS17=4606.33kg/hr
mS17 mS18 mS19=4606.33(.0025)
=11.52kg/hr
mS18=4606.33 – 11.52
Column 100%
mS19(water removed) =4,594.81kg/hr

127
 mS18=4,594.81kg/hr
mS18
mwr=4,594.81(.0025)
Benzene
=11.49kg/hr
Cooler 100% Benzene=4,594.81-11.49
=4,583.324114kg/hr
m(vapor removed)

mv=11.78+11.49
Compressor 100%
Rec. Vapor =23.3kg/hr
Gas

Energy Balance

Presented here is the energy balance based on each equipment’s

processes.

5707.762557kg/hr x 1hr/3600sec = 1.5854895999kg/sec

1.5854895999kg/sec x 15,485.6 kJ/kg = 24,552.25775kW

128
 Energy Balance Calculations

ENERGY BALANCE CALCULATIONS

Equipment Diagram Efficiency Computation

ES4=24,552.25775kW
ES4
Ewr=24,552.25775(.0025)
ES5
=61.38kW
Heater 100%
ES5=24,552.2577 – 61.38
=24,490.88kW
E(water removed)

ES5=24,490.88kW
ES5
Evr=24,490.88(.0025)
ES6
=61.23kW
Furnace 100%
ES5=24,490.88 – 61.23
=24,429.65kW
E(water removed)

ES6=24,429.65kW
ES6 Eff=24,429.65(.12)
ES7 =2931.56kW
Reactor 95% ES7=24,429.65(.95) –
2,931.56
E(fictitious fluid) =20,276.61kW

ES7=20,276.61kW
ES7 Ewr=20,276.61(.0025)
ES9 =50.69kW
Cooler 100% ES9=20,276.61 – 50.69
=20,225.92kW
E(vapor removed)

ES9=20,225.92kW
ES9
ES10=20,225.92(.006)
ES11
Flash =121.36kW
100%
Vessels ES11=20,225.92 – 121.36
=20,104.56kW
ES10(Fuel Gas)

129
 mS12=20,104.56kW
ES12
mS13=20,104.56(.006)
ES14
Flash =120.63kW
(valve) 100%
Vessels mS14=20,104.56 – 120.63
=19,983.94kW
mS13(Fuel Gas)
ES14=19,983.94kW
ES14
Ewr=19,983.94(.0025)
ES15
=49.96kW
Heater 100%
ES15=19,983.94 – 49.96
=19,933.98kW
E(water removed)

ES15 ES15=19,933.98kW
ES17 ES16=19,933.98(.006)
Fictitious =119.60kW
100%
Unit ES17=19,933.98 – 119.60
ES16(fuel gas) =19,814.37kW

ES17 ES17=19,814.37kW
ES18 ES19=19,814.37(.0025)
=49.54kW
ES18=19,814.37 – 49.54
Column 100%
ES19(water =19,764.84kW
removed)

mS18=19,764.84kW
ES18 mwr=19,764.84(.0025)
benzene =49.41kW
Benzene=19,764.84-
Cooler 100%
49.41
E(vapor removed) =19,715.42kW

Ev=23.3kg/hr x 1hr/3600s
Compressor Rec. Vapor 100% =6.47E-3 x 15,485.6 kJ/kg
Gas =100.23kW

130
Overall plant efficiency = Eoutput/Einput x 100%

Overall plant efficiency = 19,715.42kW/24,552.25775kW x 100%

Overall plant efficiency = 80.3%

Design Option 3

50,000 Metric Ton/year x 1000 kg/ton = 50,000,000 kg/year

50,000,000 kg/year x 1 year/365days = 136,986.3014 kg/day

136,986.3014 kg/day x 1day/24hrs = 5,707.762557 kg/hr

MASS BALANCE CALCULATIONS

Equipment Diagram Efficiency Computation

mS1=5,707.762557 kg/hr
mS1 mS2 mwr=5,707.762557(.0025)
=14.26940639 kg/hr
Heater 100%
mS2=5,707.7625579 -
m(water removed) 14.26940639
=5,693.493152 kg/hr

mS2=5,693.493152 kg/hr
mvr=5,693.493152 (.0025)
mS2 mS3 =14.23373288 kg/hr
Furnace 100% mS3=5,693.493152 -
14.23373288
m(vapor removed) =5,679.259419 kg/hr

mS3=5,679.259419 kg /hr
mff=5,679.259419(.12)
mS3 mS4
=681.5111303 kg/hr
Reactor 95% mS4=5,679.259419(.95) –
681.5111303
m(fictitious fluid)
=4,713.785318 kg/hr

131
 mS4=4,713.785318 kg/hr
mwr=4,713.785318 (.0025)
mS4 mS26
=11.78446329 kg/hr
mS26=4,713.785318 kg/hr-
Heater 100%
11.78446329
=4,702.000855 kg/hr
m(vapor removed)

mS4=4,702.000855 kg/hr
mS26 mS5 mwr=4,702.000855 (.0025)
=11.75500214 kg/hr
Cooler 100% mS26=4,702.000855 kg/hr-
11.75500214
m(water removed) =4,690.245853 kg/hr

mS5=4,690.245853 kg/hr
mS22=4,690.245853(.006)
mS5 mS6 =28.14147512 kg/hr
Flash
100% mS6=4,690.245853 -
Vessels
28.14147512
mS22(Fuel Gas) =4,662.104378 kg/hr

mS6=4,662.104378 kg/hr
mS21=4,662.104378(.006)
mS6 mS7 =27.97262627 kg/hr
Flash
100% mS7=4,662.104378 -
Vessels
27.97262627
mS21(Fuel Gas) =4,634.131752 kg/hr

mS7 =4,634.131752 kg/hr

mS19 =
mS7 mS8
4,634.131752(.0025)
=11.58532938 kg/hr
Column 100% mS8= 4,634.131752 –
11.58532938
mS11(vapor
=4,622.546423 kg/hr
removed)

mS18=4,622.546423 kg/hr
mS8
mwr=4,622.546423(.0025)
benzene
= 11.55636606 kg/hr
Benzene=4,622.546423 -
Condenser 100%
11.55636606
=4,610.990057 kg/hr
mS9(water removed)

132
Energy Balance

5707.762557kg/hr x 1hr/3600sec = 1.5854895999kg/sec

1.5854895999kg/sec x 15,485.6 kJ/kg = 24,552.25775kW

ENERGY BALANCE CALCULATIONS

Equipment Diagram Efficiency Computation

ES1=24,552.25775kW
ES1 ES2 Ewr=24,552.25775(.0025)
=61.38kW
Heater 100%
ES2=24,552.2577 – 61.38
E(water removed) =24,490.88kW

ES2=24,490.88kW
Evr=24,490.88(.0025)
ES2 ES3
=61.23kW
Furnace 100%
ES3=24,490.88 – 61.23
=24,429.65kW
E(vapor removed)

ES3=24,429.65kW
Eff=24,429.65(.12)
ES3 ES4
=2931.56kW
Reactor 95% ES4=24,429.65(.95) –
2,931.56
E(fictitious fluid)
=20,276.61kW

ES4=20,276.61kW
Ewr=20,276.61 (.0025)
ES4 ES26
=50.691525kW
ES26=20,276.61–
Heater 100%
50.691525
=20,225.91848kW
E(vapor removed)

133
 ES4=20,225.91848kW
ES26 ES5 Ewr=20,225.91848 (.0025)
=50.56479619kW
Cooler 100% ES26=20,225.91848kW -
50.56479619kW
E(water removed) =20,175.35368kW

ES5=20,175.35368kW
ES22=20,175.35368kW
(.006)
ES5 ES6
Flash =121.0521221kW
100%
Vessels ES6=20,175.35368kW -
121.0521221kW
ES22(Fuel Gas)
=20,054.30156kW

ES6=20,054.30156kW
ES21=20,054.30156kW
(.006)
ES6 ES7
Flash =120.3258093kW
100%
Vessels ES7=20,054.30156kW -
120.3258093kW
ES21(Fuel Gas)
=19933.97575kW

ES7 =19933.97575kW
ES19 = 19933.97575kW
ES7 ES8
(.0025)
=49.83493938kW
Column 100% ES8= 19933.97575kW –
49.83493938kW
ES11(vapor
=19,884.14081kW
removed)

ES18=19,884.14081kW
ES8
Ewr=19,884.14081kW
benzene
(.0025)
= 49.71035203kW
Condenser 100% Benzene=19,884.14081kW
- 49.71035203kW
ES9(water
=19,834.43046kW
removed)

Overall plant efficiency = Eoutput/Einput x 100%

134
Overall plant efficiency = 19,834.43046kW /24,552.25775kW x 100%

Overall plant efficiency = 80.78%

135