Energy Balance on Reactor

400 oC, 4 bar

Reactor

955 kmol of C7H8 (v)

118 kmol of CH3OH(v)
430 oC, 4 bar

650 oC, 4 bar

834 mol of C7H8(v)
238 mol of N2(g)

238 kmol of N2(g)

119.2 mol of H2O(v)

119.2 mol of p-C8H10 (v)
0.10 mol of m- C8H10 (v)
0.024 mol of o- C8H10 (v)

Assumption:

Adiabatic reactor
Vapor phase reaction

References: Methanol(v),toluene(v),nitrogen(g),water(v),p-xylene(v),o-xylene(v),mxylene(v) at 25 oC and 1 atm

Substance
C7H8
CH3OH
N2
H2O
P- C8H10
O- C8H10
M- C8H10

Nin (kmol)
955
118
238
-

For Reactive Process

To find the overall enthalpy:

Hin (kJ/kmol)
H1
H2
H3
-

Nout (kmol)
834
238
119.2
119.2
0.024
0.10

Hout (kJ/kmol)
H4
H5
H6
H7
H8
H9

To find the heat of reaction

Heat of formation(from table B.1):

Substance

Methanol

Toluene

Water

Nitrogen

p-xylene

m-xylene

o-xylene

Heat of
formation(k
J/mol)

-201.2

50

-241.83

17.95

18.99

17.24

Hreaction =

[ 1 ( 17.24 ) +1 ( 18.99 ) +1 ( 17.95 ) +1 (241.83 ) +1 ( 50 ) +1(0)][(1)(201.2)+(1)50+(1)(0)]

Hreaction =288.85 kJ/mol

Calculation of enthalpies:

Calculation of inlet enthalpy:

For methanol:
Hstate : CH3OH (v),25 oC, 4 bar

Href

CH3OH (v),400 oC, 4 bar

400

H 1= 42.93 103+ 8.301105 T 1.87 108 T 28.03 1012 T 3 dT

25

= 22.263 kJ/mol

For toluene:

Hstate : C7H8 (v),25 oC, 4 bar

Href

C7H8 (v),400 oC, 4 bar

400

H 2= 94.18 103 +38 105 T 27.86 108 T 280.33 1012 T 3 dT

25

= 60.171 kJ/mol

For Nitrogen:
Hstate : N2(g),25 oC, 4 bar

Href

N2(g),430 oC, 4 bar

From table B.8

H3 = 11.27 kJ/mol

Calculation of outlet enthalpy:

For toluene:
Hstate : C7H8 (v),25 oC, 4 bar

Href

C7H8 (v),650 oC, 4 bar

650

H 4 = 94.18 103+ 38 105 T 27.86 108 T 280.33 1012 T 3 dT

25

=109.932 kJ/mol
For Nitrogen:
Hstate : N2 (g),25 oC, 4 bar

Href

N2 (g),650 oC, 4 bar

From table B.8

H5 = 18.99 kJ/mol
For Water:
Href

Hstate : H2O (v),25 oC, 4 bar

H2O (v),650 oC, 4 bar

650

H 6= 33.46 103 +0.688 105 T + 0.7604 108 T 23.593 1012 T 3 dT

25

=22.90 kJ/mol

For P-Xylene:
Hstate : p-C8H10 (v),25 oC, 4 bar

Href

p-C8H10 (v),650 oC, 4 bar

650

H 7= 17.36 103 +5.647 104 2.6239 107 T 2 +1.1217 1011 T 3 +1.6544 1014 T 4 dT
25

=73.179 kJ/mol
For M-Xylene:
Hstate : m-C8H10 (v),25 oC, 4 bar

Href

m-C8H10 (v),650 oC, 4 bar

650

H 7= 16.725 103+ 5.6424 104 T + 2.6465 107 T 2 +1.3381 1011 T 3 +1.5869 1014 T 4 dT
25

= 85.307 kJ/mol

For O-Xylene:
Hstate : o-C8H10 (v),25 oC, 4 bar

Href

o-C8H10 (v),650 oC, 4 bar

650

H 7= 1.82 104 +5.1344 104 T 2.0212 107 T 22.1615 1011 T 3 +2.3212 1014 T 4 dT
25

= 89.490 kJ/mol

Htotal = (118(288.85) (107666.2 -62772.6)) kJ/mol

=-10809.3 kJ/mol

Material Balance on Decanter

Basis of calculation:

100 mol/s of methanol

800 mol/s of toluene
Toluene:0.26
270 mol/s Nitrogen:0.74

Decanter
1100 mol/s

730mol/s p-xylene: x

Toluene:0.636364
Nitrogen:0.181818
Water :0.090909
p-xylene: 0.090818
o-xylene: 0.000018
m-xylene: 0.000073

Feed Stream:
1100 = n1 +

n2 + n3

Nitrogen:
1100(0.181818) = n1 (1.0)

o-xylene :y
n3

m-xylene:z
Toluene: p

Water: 1.0

Toluene:
1100(0.636364) = 270 ( 0.26 ) +730 ( p )
p = 0.863
Water:
1100(0.090909) = n3 (1)
n3=100 mol /s

Product Stream:

p-xylene:
1100(0.090818) = 730 (x)
x = 0.137

o-xylene:
1100(0.000018) = 730 (y)
y = 0.000027
m-xylene:
1100(0.000073) = 730(z)
z = 0.00011