GROUP 8

SYEDA KHALIQA HAMID CH-19049

WARDAH NAZ CH-19051
AMNA FAHIM CH-19301
HOOR UL AIN ISLAM CH-19303
JUVAERIA CH-19305
Production Of Cumene
  Cumene (isopropylbenzene) is an organic compound that is based on an
aromatic hydrocarbon with an aliphatic substitution

 The most common method for producing cumene is alkylation of benzene and
propylene in order to have a practical amount of cumene.

Introduction  The cumene molecule can be visualize as straight chain propylene group have
benzene ring attached at the middle carbon form cumene (C6H5CH(CH3)2

 The cumene production capacity of the world is about 7 million Ton/day

distribute over 40 plants.

 Cumene producers account for approximately 20% of the global demand for
benzene.
  Cumene under goes oxidation to give cumenehydro Para oxide by means of
air or oxygen.

Chemical
properties of C6H5CH (CH3)2 + O2 = C6H5(CH3)2COOH

cumene  By catalytic actions of dilute sulphuric acid cumene hydro peroxide is Split
into phenol & acetone.

C6H5 (CH3)2COOH = C6H5OH + CH3COCH3

 colour colourless
odour odourless
molecular wt 120.19
purity 99%
Physical melting point -96.6 C
properties of boiling point 152.5 C
cumene density 0.862 gm`per cc
  flash point 39 C
vapour pressure 4.5 mmHg at 25C
ignition point 138 C
freezing point -96.6 C
thermal conductivity 0.124 w.m/k
surface tension 0.791 N/M
 Cumene is a natural component of coal tar and crude oil, and also can be
used as Blanding component in gasoline.

A building block chemical, almost all cumene approximately 98% of cumene

is consumed as a chemical intermediate in the production of phenol &
acetone.
Additional, cumene in minor amounts is used as a solvent during the
Uses Of manufacturing of paints, lacquer & enamel.

Cumene Cumene is also used as a solvent for fats and raisins.

Cumene by itself is not generally sold by producers for consumer’s usage.

The outlook for cumene is largely dependent on the performance of Phenol’s

derivatives which have resulted in healthy growth rates for cumene.
 Cumene (isopropylbenzene) has to be synthesized through Friedel-Crafts alkylation of
benzene and propylene. A parallel undesired reaction between cumene and propylene
produces p-diisopropylbenzene.
C6H6 + C3H6 → C6H5CH(CH3)2  → (i)
C6H5CH(CH3)2 + C3H6 → C6H5CH(CH3)2   → (ii)

Process Feed :
Benzene and the mixture of propylene and butane
Description Equipments :
Heater
Mixture
Duplicator
Reactors (PFR and the second one is CSTR)
Distillation column (two columns)
Membrane separator
PROCESS FLOW DIAGRAM
 Material Balance Energy Balance
OVERALL FLOWSHEET

*** MASS AND ENERGY BALANCE ***

IN OUT GENERATION RELATIVE DIFF.
CONVENTIONAL COMPONENTS
(KMOL/HR )
BENZENE 400.000 658.106 -141.894 -0.607805
PROPENE 305.278 468.061 -142.495 -0.652219
CUMENE 0.00000 141.293 141.292 -0.809084E-06
BUTANE 94.7219 189.444 0.00000 -0.500000
P-DIPB 0.00000 0.601522 0.601522 -0.357612E-10
WATER 0.00000 0.00000 0.00000 0.00000
TOTAL BALANCE
MOLE(KMOL/HR ) 800.000 1457.50 -142.495 -0.548883
MASS(KG/HR ) 49597.3 99194.6 -0.500000
ENTHALPY(CAL/SEC ) 439862. 0.372515E+07 -0.881921
BLOCK: HEATER MODEL:
*** MASS AND ENERGY BALANCE ***

TOTAL BALANCE
MOLE(KMOL/HR ) 800.000 800.000 0.00000
MASS(KG/HR ) 49597.3 49597.3 -0.293401E-15
ENTHALPY(CAL/SEC ) 439862. 0.386559E+07 -0.886211

*** RESULTS ***

OUTLET TEMPERATURE C 367.60
OUTLET PRESSURE BAR 20.000
HEAT DUTY CAL/SEC 0.34257E+07
OUTLET VAPOR FRACTION 1.0000
OUTLET: 1ST LIQUID/TOTAL LIQUID 1.0000
 BLOCK: MIXER
M
ODEL: MIXER
INLET STREAMS: PFR-IN RECYCLE
OUTLET STREAM: COMB
PROPERTY OPTION SET: NRTL-RK RENON (NRTL) / REDLICH-KWONG

BLOCK: DUPL MODEL: DUPL- INLET STREAM: MIXTURE

OUTLET STREAMS: PFR-IN CSTR-IN
BLOCK: CSTR MODEL: RCSTR

INLET STREAM: CSTR-IN

OUTLET STREAM: CSTR-OUT
PROPERTY OPTION SET: NRTL-RK RENON (NRTL) / REDLICH-KWONG

*** MASS AND ENERGY BALANCE ***

IN OUT GENERATION RELATIVE DIFF.
TOTAL BALANCE
MOLE(KMOL/HR ) 800.000 733.531 -66.4692 0.142109E-15
MASS(KG/HR ) 49597.3 49597.3 0.00000
ENTHALPY(CAL/SEC ) 0.386559E+07 0.343419E+07 0.111602

L 8455.4
BLOCK: HEATER-2 MODEL:

INLET STREAM: PFR-OUT

OUTLET STREAM: H2-OUT
PROPERTY OPTION SET: NRTL-RK RENON (NRTL) / REDLICH-KWONG

*** MASS AND ENERGY BALANCE ***

IN OUT
RELATIVE DIFF.
TOTAL BALANCE
MOLE(KMOL/HR ) 725.159 725.159 0.00000
MASS(KG/HR ) 49739.8 49739.8 0.00000
ENTHALPY(CAL/SEC ) 0.337817E+07 0.115040E+07 0.659460

*** RESULTS ***

OUTLET TEMPERATURE C 85.000
OUTLET PRESSURE BAR 1.9000
HEAT DUTY CAL/SEC -
0.22278E+07
OUTLET VAPOR FRACTION
0.7336
7
COLUMN-1 MODEL: RADFRAC

INLETS - H2-OUT STAGE 8

OUTLETS - DIST STAGE 1
BOTTOM STAGE 20

*** MASS AND ENERGY BALANCE ***

IN OUT
RELATIVE DIFF.
TOTAL BALANCE
MOLE(KMOL/HR ) 725.159 725.159 -0.156775E-15
MASS(KG/HR ) 49739.8 49739.8 -0.135113E-10
ENTHALPY(CAL/SEC ) 0.115040E+07 26324.2 0.977117
 ENTHALPY
STAGE TEMPERATURE PRESSURE CAL/MOL HEAT DUTY
C BAR LIQUID VAPOR CAL/SEC

1 -16.832 1.8000 -2472.0 2203.1 -.16796+07

2 69.120 1.8000 11421. 5166.2
3 80.709 1.8000 12576. 9770.2
6 81.875 1.8000 12307. 10176.
7 83.472 1.8000 11038. 10070.
8 102.65 1.8000 10352. 17859.
9 105.38 1.8000 10783. 20339.
13 105.96 1.8000 10900. 21045.
14 105.97 1.8000 10900. 21047.
15 105.97 1.8000 10900. 21047.
19 107.11 1.8000 10313. 20979.
20 114.94 1.8000 7089.1 20443. .55556+06
*** RESULTS OF COLUMN 1 ***

TOP STAGE TEMPERATURE C -16.8320

BOTTOM STAGE TEMPERATURE C 114.943
TOP STAGE LIQUID FLOW KMOL/HR 263.881
BOTTOM STAGE LIQUID FLOW KMOL/HR 197.398
TOP STAGE VAPOR FLOW KMOL/HR 0.0
BOILUP VAPOR FLOW KMOL/HR 260.252
MOLAR REFLUX RATIO 0.50000
MOLAR BOILUP RATIO 1.31841
CONDENSER DUTY (W/O SUBCOOL) CAL/SEC -1,679,640.
REBOILER DUTY CAL/SEC 555,556.
BLOCK: COLUMN-2MODEL:RADFRAC

INLETS - BOTTOM STAGE 13

OUTLETS - BENZENE STAGE 1
CUMENE STAGE 25
TOTAL BALANCE
MOLE(KMOL/HR ) 197.398 197.398 -0.143982E-15
MASS(KG/HR ) 18668.5 18668.5 0.668606E-12
ENTHALPY(CAL/SEC ) 388714. 406906. -0.447081E-01
 ENTHALPY
STAGE TEMPERATURE PRESSURE CAL/MOL HEAT DUTY
C BAR LIQUID VAPOR CAL/SEC

1 83.105 1.1000 13511. 20988. -.39848+06

2 85.007 1.1000 12221. 20883.
3 90.318 1.1000 8987.5 20594.
10 114.02 1.1000 1641.5 18255.
11 114.04 1.1000 1637.7 18252.
12 114.05 1.1000 1633.5 18251.
13 115.77 1.1000 1312.9 17990.
14 135.77 1.1000 -1148.1 13646.
21 155.66 1.1000 -2315.8 6516.1
22 155.66 1.1000 -2315.9 6515.2
23 155.66 1.1000 -2316.6 6514.9
24 155.67 1.1000 -2321.1 6514.3
25 155.72 1.1000 -2350.4 6510.8 .41667+06
*** RESULTS OF COLUMN 2 ***

TOP STAGE TEMPERATURE C 83.1051

BOTTOM STAGE TEMPERATURE C 155.724
TOP STAGE LIQUID FLOW KMOL/HR 72.9651
BOTTOM STAGE LIQUID FLOW KMOL/HR 75.7893
TOP STAGE VAPOR FLOW KMOL/HR 0.0
BOILUP VAPOR FLOW KMOL/HR 170.092
MOLAR REFLUX RATIO 0.60000
MOLAR BOILUP RATIO 2.24427
CONDENSER DUTY (W/O SUBCOOL) CAL/SEC -398,477.
REBOILER DUTY CAL/SEC 416,667.
BLOCK: MEM-SEP
MODEL: SEP
INLET STREAM: BENZENE
OUTLET STREAMS: PURGE S9
PROPERTY OPTION SET: NRTL-RK RENON (NRTL) / REDLICH-KWONG

*** MASS AND ENERGY BALANCE ***

IN OUT RELATIVE DIFF.

MOLE(KMOL/HR ) 121.608 121.608 0.257086E-14

MASS(KG/HR ) 9549.16 9549.16 0.266682E-14
ENTHALPY(CAL/SEC ) 456388. 700628. -0.348601
 BLOCK : HEATER-3 MODEL:

INLET STREAM: S9
OUTLET STREAM: RECYCLE
PROPERTY OPTION SET: NRTL-RK RENON (NRTL) / REDLICH-KWONG

TOTAL BALANCE

*** MASS AND ENERGY BALANCE ***

IN OUT RELATIVE DIFF.

MOLE(KMOL/HR ) 1.18526 1.18538 -0.964338E-04

MASS(KG/HR ) 142.462 142.476 -0.964338E-04

ENTHALPY(CAL/SEC ) -2211.566082.85 -1.36357

*** RESULTS ***

OUTLET TEMPERATURE C 367.60
OUTLET PRESSURE BAR 20.000
HEAT DUTY CAL/SEC 8293.8
OUTLET VAPOR FRACTION 1.0000
 Assumptions:
• The process is steady-state.
Designing of • Density of liquid is constant.
PFR reactor
• Homogeneous liquid.

• Side reactions are ignored.

• No spatial variation.
Reactions:
C6H6 + C3H6 → C6H5CH(CH3 )2 → (i)
C6H5CH(CH3 )2 + C3 H6 → C6H5CH(CH3)2 → (ii)

T= 640.336 K
P= 20 bar = 19.1385 atm
Mole Balance:
ܺ ݀ ‫ݔ‬
ܸ = ‫ ܣܨ‬0 ‫׬‬0 → (1)
−‫ܣݎ‬

‫ܣܥ‬0 1−ܺ
‫= ܣܥ‬ → (2)
1+ ◌ܺ
߳ܺ

Since the reaction is gas phase;

2
2 (1−ܺ)
-‫= ܣݎ‬ ‫ܣܥܭ‬0 (1+ܺߝ)2 →(3)

From aspen results,

݈݇݉
݈‫݋‬ 1ℎ‫ݎ‬
‫ ܣܨ‬0 = 801.185 x = 0.2225 kmol/s
ℎ‫ݎ‬ 3600‫ݏ‬
Here, ‫ ܣݕ‬0 = 0.5 b/c 50% Benzene and 50% Propylene are fed to the
reactor,
‫ܣݕ‬0 ܲ 101.314ܲܽ ܰ ݈݉
݈‫ ݋‬. ‫ܭ‬ 1‫ܬ‬
‫ ܣܥ‬0 = ܴܶ
= 0.5 ∗ 19.7385ܽ݉
‫ ݐݐ‬x 1ܽ݉
‫ݐݐ‬
x 1ܲܽ ݉ 2
x 8.134‫ܬ‬
x 1ܰ݉ x
1
640.736 ‫ܭ‬

݈݇݉
݈‫݋‬
‫ܣܥ‬0 = 0 .1877
݉3
߳= ‫ ܣݕ‬0 ߪ = 0.5 1 − 1 − 1 = − 0.5
104174݇‫ܬ‬

ln k = 2.8x107 exp ( − ݈݇݉

݈‫݋‬
8.314݇‫ܬ‬ )
640.74݇∗ .
݈݇݉‫݋‬.‫ܭ‬

k = 1.0937
X = 0.744
Putting all the values in eqn (3)
2 (1−0.744) 2
-‫ = ܣݎ‬1.0937 ∗ 0.1877
(1−0.5∗0.744) 2
-‫ = ܣݎ‬6.4x10−3
Putting all values in eqn (1)
0.2225 0.744
ܸ= 6.4x10 −3 ‫׬‬0
݀ܺ

V = 25.853 ݉ 3
From aspen,
Velocity, ߤ = 268.185݉/‫ݏ‬
‫ܮ‬ 1݉݅݊ 1݉ 3
Volumetric flowrate = Vሶ= 29905.6 x 60 ܿ ݁‫ݏ‬
x = 0.5݉ 3 /‫ݏ‬
݉݅݊ 1000‫ܮ‬
Diameter of the reactor can be calculated as:

4Vሶ 4∗0.5
‫=ܦ‬ = = 0.0468 m = 4.86cm
‫ߨݑ‬ ߨ∗268.185

Now, Area of the reactor,

ߨ ߨ
A = ‫* ܦ‬No. of tubes = ∗ 0.04862 ∗ 350
2
4 4

A = 0.644 ݉ 2
Now, length
V = A*L
ܸ 25.853 ݉ 3
L= = = 40 m
‫ܣ‬ 0.644 ݉ 2
 CONCLUSION
In this study, a step-by-step optimization technique is used.
(1) Reactors and (2) Separators are the two most basic
components of a cumene plant. Each unit is designed to
maximise the final product's quality as well as its flow rate.
In a typical chemical process, the raw materials costs are
usually substantially higher than the energy or capital costs.
As a result, the process must be constructed such that no
feedstocks are wasted.
THANK YOU