Cumene Peroxidation Process is the process where the raw material, cumene

and oxygen gas that is 100% purity is react. The product form is cumene
hydroperoxide. The calculation of the energy balance is done in the first
reactor.
C6H5CH(CH3)2 (l) + O2 (g)

C6H5C (CH3)2OOH (l)

Cp= A + BT + CT2 + DT3(J/mol.K)

Co-efficient of Heat capacity for components
A

C6H5CH(CH3)2

139.210-3

53.7610-5

-39.7910-8

120.510-12

O2

29.110-3

1.15810-5

-0.670610-8

1.31110-12

C6H5C(CH3)3OOH

1.345105

3.8060102

Heat of formation for components

Hof(kJ/mol)

C6H5CH(CH3)2

-41.1

O2

C6H5C (CH3)2OOH

Equation for Energy Balance:

Q = Hout - Hin + r Hof

-149.67

Where,
Q

= Heat absorbed or heat released in the reactor

Hout = Change of enthalpy in the system out

Hin = Change of enthalpy in the system in
r

= Rate of reaction

Hof = Heat of formation at 298.15 K

Enthalpy change for the component
H=
H= A (T2-T1) + B (T22-T12)/2 + C (T23-T13)/3 + D (T24- T14) /4
Where,
T1= Reference temperature (298.15)
T2= Input /ouput temperature

Enthalpy change for the inflow,

o

T1= 110 C = 383.15 K

For cumene:
H=
H= (139.2 X 10-3) (383.15 298.15) + (53.76 X10-5 ) (383.152 298.152)/2 + (-39.79 X 10-8)
(383.153-298.153)/3 + (120.5 X 10-12) (383.154 298.154)/4
= 11.832 + 15.566 + (-3.945) + 0.411
= 23.864 KJ/mol

For Oxygen:
H=
= (29.1 X 10-3) (383.15- 298.15) + 1.158 X 10-5 (383.152 298.152)/2 + (-0.6076 X 10 -8)
(383.153- 298.153) /3 + 1.311 X 10-12 (383.154- 298.154)/4

= 2.4735 + 0.3353 + (-0.06024) + 0.0044736

= 2.75303 KJ/mol

Enthalpy change for outflow

o

T2 = 115 C = 388.15 K

For cumene hydroperoxide:

H=
= (1.345 X 10 5 ) ( 388.15 298.15 ) + (3.8060 X 10 2) ( 388.15 2 298.152)/2
= 12105000 + 11754260.1
= 23859260.1 J/mol

For cumene:
H=
= 139.2 X 10 -3 (388.15- 298.15) + (53.76 X 10-5) (388.15 2- 298.152) /2 + (-39.79 X 10-8)
(383.153- 298.153)/3 + (120.5 X 10-12) (388.154 298.154)/4
= 12.528 + 16.603 + (-4.241) + 0.446
= 25.336 KJ/mol

For Oxygen :
H=
= (29.1 X 10-3) (388.15 298.15 ) + (1.158 X 10-5) (388.152- 298.152)/2 + (-0.6076 X 10-8)
(388.153- 298.153)/3 + (1.311 X 10-12) (388.154- 298.154)/4
= 2.619 + 0.358 + (-0.06024) + (-0.065) + (4.85 X 10-3)
= 2.917 KJ/mol
For overall enthalpy at inflow, Hin,
Hin = (HiCumene NiCumene ) + (HiOxygen NiOxygen)
= (23.864 kJ/mol 551998 mol/h) + (2.75303 kJ/mol 185333 mol/h) = 13683099.32 KJ/h

For overall enthalpy at outflow, Hin,

Hout= (HoCumene Hydroperoxide NoCumene hydroperoxide ) + (HoCumene NiCumene ) + (HoOxygen
NiOxygen)
= (23859.2601kJ/kmol 613330 mol/h) + (25.336 kJ/mol 367998 mol/h) + (2.917
kJ/mol 61333 mol/h)
= 9503960.298 kJ/h
For Heat of formation, Hof
Hof = Hofproduct - Hofreactant
= [-149.67kJ/mol] [ (-41.1kJ/mol) + 0 kJ/mol]
= -108.57kJ/mol
From the overall energy balance equation,
Q = Hout - Hin + rHof
= 69753.978kJ/h 66.011kJ/h + (184000 mol/h -108.57kJ/mol)
= -24156019.02 kJ/hr
= 24156019.02 kJ/h (1h/3600s)
= -6710.005 kJ/s