Problem 5.

1
Basis: 100 mole Toluene

RECYCLED HYDROGEN

Makeup Hydrogen
MIXER

REACTOR

Toluene

REACTION AND THEIR CONVERSION PER PASS

2C_7
58%H_8C_6
Conversion/pass
H_6+C_8 H_10 58% Conversion/pass
BENZENE

TOLUENE

XYLENE

2C_8
1% H_10C_7
Conversion/pass
H_8+C_9 H_12 1% Conversion/pass
TOLUENE

XYLENE

TRIMETHYLBENZENE

C_7 H_8+H_2C_6
0.14%
H_6+CH_4
Conversion/pass
0.14% Conversion/pass
TOLUENE

HYDROGEN

BENZENE

METHANE

C_8 H_10+ 2H _2C_6

28% Conversion/pass
H_6+2CH_4 28% Conversion/pass
HYDROGEN

XYLENE

SFL = 0.999

SFH = 0.001

SPECIES

INLET

Hydrogen
Methane
Benzene
Toluene
Xylene

700
0
0
100
0

Trimethyl
benzene

TOTAL

800

BENZENE

METHANE

SPK = 1

REACTOR
C - 0.58
C - 0.01
C - 0.0014
C - 0.28
720.020848803
-0.962843019 -0.558448951
0
0.9628430188 -0.558448951
0
199.4460539
0.9628430188 0.279224475
687.745013462 -199.4460539 0.9972302695 -0.962843019
0
199.4460539 -0.9972302695
-0.279224475
MIXER

0.9972302695

1407.76586226 199.4460539 0.9972302695

Ethylene
Oxygen

Oxychloride
Reactor

-1.116897902

Ethylene
Oxygen

Oxychloride
Reactor

Ethylene
Chlorine

Direct Chl.
Reactor

Problem 5.4
Basis:
Inlet 1
100 mole Chlorine
100 mole Ethylene

Cl
HCl
C2H4
SFL = 0.995

Assumptions:
All Cl2 in REAC 2 was consumed to form
TCE

Chemical Reactions
Conversion
1
1
1
0.96
SFH = 0.005

COMPONENT

INLET 1

INLET 2

Trichloroethane
Ethylene
Chlorine
Oxygen
Water
EDC
HCl
Vinylchloride
TOTAL

0
100
100
0
0
0
0
0
200

0
1
0
0.5
0
0
0
0
1.5

C_2 H_4+Cl_2ClC_2 H_4 Cl

Selectivity
0.99 EDC
C_2 H_4+2HCl+1/2 O_2ClC
0.01 TCE
0.95 EDC
2C _2 H_4 Cl_2 2C _2 H
0.05 TCE
SFK = 1
R-1
-99
-99

DC - REACTOR
R-2
0.5
-0.5
-1

99

-99

R-OUT
0.5
0.5
0

0.5

99
0.5

-0.5

100.5

RECYCLED TOLUENE
Methane
0.000404394
Benzene
Methane
Hydrogen

SEPR-2

CTOR

200.48743
0.0004039897
0.0200408897

SEPR-1

SEPR-3

ersion/pass

Conversion/pass

R - OUT
20.04088969
0.404394068
200.6881214
588.3333468
198.1695992

SEPR - 1
SEPR - 2
SEPR - 3
S2 - IN
S3 - IN
H - OUT
M - OUT
B - OUT
S4 - IN
20.0208488 0.02004089 20.0208488
0
0.0200408897
0
0.000404394 0.403989674
0
0.000404394 0.0004039897 0.403585684
0
200.6881214
200.4874332768 0.200688121
588.3333468
0
588.3333468
198.1695992
198.1695992

0.99723027

0.99723027

0.99723027

1008.633581 20.0212532 988.6123282 20.0208488 0.000404394 200.5078781561

HCl
HCl
Light gases

Splitter - 2

Splitter - 3

788.10445

Splitter - 2

Splitter - 3

Water

EDC

Splitter - 1

Furnace

Splitter - 4
EDC

Vinyl Chloride Process

cal Reactions

4+Cl_2ClC_2 H_4 Cl

4+2HCl+1/2 O_2ClC_2 H_4 Cl+H_2 O

_4 Cl_2 2C _2 H_3 Cl+2HCl

SEPR 1
S-1
0
0.0995
0

R2-IN
0.5
0.4005
0

0
0.0025

99
0.4975

OC - REACTOR
R-1
R-2
R-OUT
0.912
0.91908778
-0.912
-0.912
-0.824
-0.912
-0.912
-0.456
0.044
0.912
0.916559885
0.912
0.916575238
0
0.912
58444.93195

0.102

100.398

0.456

58445.99217

SEPR 2
G-OUT
W-OUT
0
0.001531813
-0.1821955556 -0.641804444
-0.2016533333 -0.710346667
0.0097288889 0.0342711111
0.0045827994 0.907417201
0
0.001527625
0
97.40821975
-0.3695372006

97.00081639

Benzene
Toluene
Xylene
TMB
SEPR-4

0.2004874333
0.5877450135
197.97142956
0.0009972303

SEPR-5

Toluene
Xylene
TMB

SEPR - 4
SEPR - 5
T - OUT
S5 - IN
X - OUT
TMB - OUT
0
0.403585684
0
0.000200688 0.2004874333 0.2004874333
0
587.7450135 0.5883333468 0.5877450135 0.0005883333
0
198.169599159 197.97142956 0.1981695992
0.9972302695 0.0009972303

0.9962330392

588.1487998 199.955650208 198.760659237

1.1949909718

0.0005883333
0.1981695992
0.9962330392

Vinyl chloride

Splitter - 4

EPR 2
S3 - IN
0.917555967
0
0
0
0.004559885
0.915047613
58347.52373
58349.36089

Splitter - 5

SEPR 3
FURNACE
SEPR 4
HCl-OUT
EDC-OUT
F-R
F-OUT
HCl-OUT
S-OUT
0
0.9175559669
1.417555967 0.0070877798
0
0
0
0.4005
0
0
0
0
0
0
0
0
0
0
0
0
0.0045598854 1.110223E-016
1.11022E-016 -4.44893E-306 -8.9529E-306
0.0045752381 0.9104723746 -99.9104723746
0
0
0
58055.786011 291.737718512 99.9104723746 392.1455905 388.23393826 1.960727953
99.9104723746 100.4100122 0.5020500609 99.90796212
58055.7951462 293.565746853 99.9104723746 494.3736587 388.7430761 101.8686901

SEPR 5
EDC-OUT
0
0
0
0
0
0
0
0.4995398106
0.4995398106

VC-OUT
0
0
0
0
-8.9529E-306
0
1.9607279526
99.408422314
101.36915027