Lecture 5d

Chemical Reaction Engineering (CRE) is the

field that studies the rates and mechanisms of
chemical reactions and the design of the reactors in
which they take place.

Lecture 10 Tuesday 2/12/2013

Block 1:
Block 2:
Block 3:
Block 4:

Mole Balances
Rate Laws
Stoichiometry
Combine

Selectivity in Multiple Reactions

Selectivity

Yield

Instantaneous

SD/U = rD/rU

YD = rD / rA

Overall

D/U = FD/FU

YD = FD /( FA0 FA )

Keep CA high and CB low.

Semibatch Reactors
Semibatch reactors can be very effective in

maximizing selectivity in liquid phase reactions.

The reactant that starts in the reactor is always
the limiting reactant.

Semibatch Reactors
Semibatch reactors
A+BC+D

Liquid level and volume increase

5

Semibatch Reactors
1) Mass Balance:

dm
= m
dt
m = 0 0

dV
= 0
dt
t = 0 V = V0
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and

m = V 0

Semibatch Reactors
1) Mole Balance on Species A:
[in] [out] + [gen] = [acc]

dN
0 0 + r AV =
dt

dV
= 0
dt
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Semibatch Reactors
1) Mole Balance on Species B:

dN B
FB 0 0 + rBV =
dt

FB 0 = C B 0 0

dV
= 0
dt

(
C B 0 C B ) 0
dC B
= rB +
dt
V

Semibatch Reactors
1) Mass and Mole Balance Summary

(1)
(2)
(3)
(4)
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(5)

0C A
dC A
= rA
dt
V
0 (C B 0 C B )
dC B
= rB +
dt
V
dCC
0CC
= rC
dt
V
0C D
dC D
= rD
dt
V
V = V0 + 0t

Semibatch Reactors
2) Rate Laws
3) Stoichiometry

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4) Parameters

rA rB rC rD
=
= =
1
1
1
1

(8)

rC = rA

(9)

rD = rA

(10)

N A0 N A
X=
N A0

(12)

N A = C AV

C A0 , V0 , 0 , k , C B 0

Semibatch Reactors

11

Semibatch Reactors

12

Equilibrium Conversion in Semibatch

Reactors with Reversible Reactions
Consider the following reaction:

Everything is the same as for the irreversible case,

except for the rate law:

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Equilibrium Conversion in Semibatch

Reactors with Reversible Reactions
Where:

N A0 (1 X )
V
(
FB 0t N A0 X )
C B=
V
C A=

At equilibrium, rA = 0 then

Xe changes with time.

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P6-6B - Semibatch Reactors

Sodium Bicarbonate + Ethylene Chlorohydrin Ethylene Glycol + NaCl + CO2

15

P6-6B - Semibatch Reactors

Semibatch Reactors in terms of Moles
Mole Balances

A
B
C
D
CO2

dN a
(1)
= rAV
dt
dN b
(2)
= FB 0 + rBV
dt
dN c
(3)
= rCV
dt
(4) N D = N C
0 = FCO2 + rCO2V
(5)

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Stoichiometry

FCO2 = rCO2V
rA = rB = rC =r D = rCO2

(6)
(7 )
(8)
(9)

Rate Laws

17

dV
= 0 CO2
dt
FCO2 MWCO2
CO2 =
RHO
MW = 44
RHO = 1000

(10) Ca = N A V
(11) C B = N B V
(12) rA = kC AC B
N a0 N a
(13) X =
N a0
(14) N a 0 = V0Ca 0

P6-6 Semibatch: Moles, Na, Nb, etc.

19

20

21

P6-6 Semibatch: Concentrations CA, CB, CC

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24

Semibatch Reactors
Three Forms of the Mole Balances applied to Semibatch Reactors:

1. Molar Basis

3. Conversion
25

dN A
= rAV
dt
dN B
= FB 0 + rBV
dt

dX rAV
=
dt
N A0

Semibatch Reactors
Consider the following elementary reaction:
A+B C+D
-rA=kCACB
The combined Mole Balance, Rate Law, and
Stoichiometry may be written in terms of number
of moles, conversion, and/or concentration:
Conversion
This image cannot currently be displayed.

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Concentration

No. of Moles
dN A
= rAV
dt
dN B
= FA0 + rBV
dt

Polymath Equations

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End of Lecture 5d

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