The calculation below was done to determine stream flow rates of the monochlorobenzene flow sheet presented in the

problem statement. The assumptions were:

The reactor products are limited to mono- and di- chlorobenzene only. All chlorobenzenes and unreacted benzene condenses in the condenser. The vapor pressure of all liquid components in the liquid phase at the condenser temperature is not significant There was complete separation of liquid and gas phases in the flash unit. In the absorber, 100% absorption of hydrogen chloride, 98%of chlorine is recycled, the remainder being dissolved in water. In the distillation column there is 95% recovery of benzene.

1. MANUAL CALCULATIONS
N10 Cl2 N10 Cl2 N11 H2O

N8 C6H6 + Cl2 > C6H5Cl + HCl C6H6 + 2Cl2 > C6H5Cl2 + 2HCl N2 Cl2 N1 C 6H 6 N3 N4 N5 N6 Cl2 C6H6 C6H5Cl C6H4Cl2 HCl N7 Cl2 C6H6 C6H5Cl C6H4Cl2 HCl N12 C6H6 C6H5Cl C6H4Cl2 Cl2 HCl

N9 H2O + Cl2 HCl

N13 C6H6

N14 C6H6 C6H5Cl C6H4Cl2 N13 C6H6

+ 40.7 40.7 40.7

+ 40.7

14.5

29.1

14.5

29.1

100-42.5= 57.5 kmol/h

( )

( (

) )

( (

) )

Comment

2. SPREAD SHEET
Assumptions are the same as those of manual calculation stated above. Values shown in the table below are of the streams entering and leaving the reactor. The products of chlorine and benzene are only MCB and DCB. Basis of 1 hour reactor chlorine benzene MCB DCB HCI in 90 100 0 0 0 out 90 100 40.7008 14.5439 69.7886

kmol kmol kmol kmol kmol

kmol kmol kmol kmol kmol

Table below shows the stream that is entering the condenser and is separated in the vapor and liquid stream. Chlorine and HCl leave as vapour at the top stream and benzene, MCB and DBC leave as the liquid stream at the bottom of the column. condenser/ flush drum chlorine benzene MCB DCB HCL

in 20.211 44.7 40.701 14.544 69.789

kmol kmol kmol kmol kmol

vapour 20.2114 0 0 0 69.7886

kmol kmol kmol kmol kmol

liquid 0 44.7 40.7008 14.5439 0

kmol kmol kmol kmol kmol

Table below shows the stream coming in with HCl and chlorine. Chlorine leaving at the top stream is recycled while the one in solution is removed as the bottom stream with HCl absorber chlorine HCl in 20 70 tops 19.80717 bottoms 0.404228 69.7886

kmol kmol

kmol

kmol kmol

Table below shows the light and heavy key components. 95% of benzene is recovered as the light key component and recycled back. The MCB, DBC and the unrecovered benzene is removed as the heavy components at the bottom (reboiler) distillation column benzene MCB DCB

in 45 kmol 41 kmol 15 kmol

tops 42.465

kmol kmol kmol

bottoms 2.235 kmol 40.7008 kmol 14.5439 kmol

Results obtained after scaling down reactor in chlorine 0.818985 benzene 0.909983 MCB 0 DCB 0 HCI 0 out 0.18392 0.406762 0.37037 0.132347 0.635064

kmol kmol kmol kmol kmol

kmol kmol kmol kmol kmol

COMMENT Results obtained are the same as those of the manual calculations. Only advantage is that with the spreadsheet we can vary our input streams and get the solution of the output streams immediately. While for the manual calculations, changing the values of the input streams would mean doing the calculations again. Assumptions made were used to simplify the calculation process

3. Rstoich and DSTWU

Same assumptions as those stated for the manual and spreadsheet calculations. In the distillation column there is 99% recovery of benzene.

50 1 50 1 50 2 1 B1 3 B2 4

-3 1 50 1 1 50 1 B3 6 168 2

be nzene chlorine re action Strea m ID Temperature P ressure Vapor Frac Mole Flow Ma ss Flow Volum e Flow Enthalpy Ma ss Flow BENZENE CHLORINE WATER HCL C6H5C-01 C6H4C-01 Mole Flow BENZENE CHLORINE WATER HCL C6H5C-01 C6H4C-01 0.680 0.396 0.142 0.667 0.026 0.002 0.013 0.371 0.140 0.013 < 0.001 trac e 0.370 0.140 k mol/hr 0.974 0.877 0.436 0.197 0.137 0.182 0.299 0.015 0.298 0.015 < 0.001 trac e 24.781 44.620 20.819 24.324 2.913 0.278 0.457 41.707 20.540 0.457 0.042 trac e 41.666 20.540 k mol/hr k g/hr cum/hr Gca l/hr k g/hr 76.083 62.156 34.055 13.964 10.724 12.922 23.331 1.042 23.307 1.042 0.023 trac e C ba r 1 50.0 1.000 0.000 0.974 76.083 0.090 0.012 2 50.0 1.000 1.000 0.877 62.156 23.338 < 0.001 3 50.0 1.000 0.548 1.851 138.238 27.120 -0.007 4 50.0 1.000 1.000 1.014 51.161 27.036 -0.011 5 50.0 1.000 0.000 0.836 87.077 0.084 0.004 6 -3.4 1.000 0.000 0.326 24.848 0.027 0.003 7 167.6 2.000 0.000 0.510 62.229 0.063 0.003

ASSUMPTIONS: Pressure of the columns is 1bar and at the reboiler it is 2bars.

COMMENT

4. GIBBS AND RADFRAC

50 1

RAD12

RADGB2K

-47 1 50 1 50 RADG1K RADG2K 1 50 RADG3K 1 RADG5K 50 1 B5 RADG6K 131 1

RADB4

RADG7K

be nzen e chlor ine r e action Str ea m I D T em p er atur e P r essur e V ap or Fr ac Mo le Flo w Ma ss Flo w E nthalpy Ma ss Flo w BE N ZE N E CH L O RI N E W A T ER H CL C6H 5 C- 0 1 C6H 4 C- 0 1 Mo le Flo w BE N ZE N E CH L O RI N E W A T ER H CL C6H 5 C- 0 1 C6H 4 C- 0 1 0 .4 57 0 .0 22 < 0 .0 01 0 .4 67 0 .3 92 0 .0 37 0 .0 10 0 .3 70 0 .0 37 0 .0 10 < 0 .0 01 tr ac e tr ac e 0 .3 70 0 .0 37 km o l/hr 0 .0 26 0 .5 20 0 .4 67 0 .0 90 tr ac e 0 .0 64 0 .0 54 0 .0 11 16.65 8 2 .5 07 0 .0 63 17.02 7 44.15 8 5 .4 90 0 .3 69 41.65 1 5 .4 27 0 .3 69 0 .0 02 tr ac e tr ac e 41.64 9 5 .4 27 km o l/hr kg/hr G ca l/hr kg/hr 2 .0 11 40.61 1 33.11 3 7 .0 49 tr ac e 5 .0 38 4 .2 00 0 .8 38 C ba r RA D 12 50 .0 1 .0 00 1 .0 00 0 .5 05 21.23 8 13.49 6 - 0.009 RA D G 1K 50 .0 1 .0 00 0 .0 00 0 .5 20 40.61 1 0 .0 48 0 .0 07 RA D G 2K 50 .0 1 .0 00 1 .0 00 0 .4 67 33.11 3 12.43 3 < 0 .0 01 RA D G 3K 50 .0 1 .0 00 1 .0 00 0 .9 87 73.72 4 25.96 9 - 0.003 RA D G 5K 50 .0 1 .0 00 0 .0 00 0 .4 82 52.48 6 0 .0 49 0 .0 02 RA D G 6K - 4 6.9 1 .0 00 0 .0 00 0 .0 64 4 .5 72 0 .0 05 < 0 .0 01 RA D G 7K 1 31.0 1 .0 00 0 .0 00 0 .4 18 47.91 4 0 .0 48 0 .0 03

V olum e Flow cu m /hr

5. Hazop form
Unit: flash unit
V-1

P-5

V-3

P-4

E-1

P-3

Node: effluent upper stream (point P) Parameter: temperature

V-2