Semi-Batch Reactor

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.
 Semi-Batch Reactor– CRE2(2nd Term)
 Block 1: Mole Balances
 Block 2: Rate Laws
 Block 3: Stoichiometry
 Block 4: Combine

 Definition of Selectivity
 Semibatch Reactors

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 Selectivity in Multiple Reactions
A  B 
kD
D rD  k DC A2CB (Desired)
A  B 
kU
U rU  kU C ACB2 (Undesired
)
Selectivity Yield
Instantaneous SD/U = rD/rU YD  rD /  rA

Overall ŜD/U = FD/FU YˆD  FD /( FA0  FA )

rD k D C A2 C B k D C A
S D /U   2

rU ku C AC B kU C B

3 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.

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 Semibatch Reactors
Semibatch reactors
A+B→C+D

B, v0

m

Initial V
A

Liquid level and volume increase

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 Semibatch Reactors
dm
1 ) M a s s B a l a n c e :
 m
dt
  0 0
m and m  V0

dm dV
 0  00
dt dt
dV
 0
dt
t  0 V  V0
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V  V0 0t
 Semibatch Reactors
1) Mole Balance on Species A:
[in] – [out] + [gen] = [acc]
dNA
0  0  rAV 
dt
dNA d[C AV ] dCA dV
 V  CA
dt dt dt dt
dV
 0
dt
dCA 0 C A
 rA 
7 dt V
 Semibatch Reactors
1) Mole Balance on Species B:
dNB
FB 0  0  rBV 
dt
dN B d[CBV ] dCB dV
 V  CB
dt dt dt dt
dV
FB0  CB00  0
dt

dCB
 rB 
CB 0  CB 0
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dt V
 Semibatch Reactors
1) Mass and Mole Balance Summary

 0C A
1 dCA
 rA 
dt V
0 (C B 0  C B )
2 dCB
 rB 
dt V
 0 CC
3 dCC
 rC 
dt V
 0C D
4 dCD
 rD 
dt V
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5 V  V0   0t
 Semibatch Reactors
2) Rate Laws 6 rA  kCACB
 rA  rB rC rD
3) Stoichiometry   
1 1 1 1

7 rB  rA
8 rC  rA
9 rD  rA
N A0  N A
10  X
N A0
11 NA0  CA0V0
12 N A  CAV

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4) Parameters CA0 , V0 , 0 , k, CB0
 Semibatch Reactors

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 Semibatch Reactors

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 Equilibrium Conversion in Semibatch
Reactors with Reversible Reactions

Consider the following reaction:



A  B
 C  D

Everything is the same as for the irreversible case,

except for the rate law:

 CC CD 
 rA  k A CACB  
 K C 

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 Equilibrium Conversion in Semibatch
Reactors with Reversible Reactions
Where: N A0 1  X 
C A
V
C B
 FB 0t  N A0 X 
V
N A0 X
C C  CD 
V
At equilibrium,  rA  0 then
CCe C De N Ce N De N A0 X e2
K C  
C AeC Be N Ae N Be 1  X e FB 0t  N A0 X e 
Xe changes with time.
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 P6-6B - Semibatch Reactors
Sodium Bicarbonate + Ethylene Chlorohydrin  Ethylene Glycol + NaCl + CO2

NaCHO3 + CH2OHCH2Cl  (CH2OH)2 + NaCl + CO2 

A + B  C + D + CO2 

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 P6-6B - Semibatch Reactors
Semibatch Reactors in terms of Moles
A + B  C + D + CO2
dN a
Mole Balances A (1)  rAV
dt
dN b
B ( 2)  FB 0  rBV
dt
dN c
C (3)  rCV
dt
D ( 4) N D  NC
CO 2 0   FCO 2  rCO 2V
(5) FCO 2  rCO 2V
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Stoichiometry  rA   rB  rC  r D  rCO 2
 dV
( 6)   0   CO 2
dt
FCO 2 MWCO 2
(7)  CO 2 
RHO
(8) MW  44
(9) RHO  1000
(10 ) C a  N A V
(11) C B  N B V
Rate Laws (12 ) rA   kC AC B
N a0  N a
(13) X 
N a0
(14 ) N a 0  V0C a 0
Rest of the Polymath Statements
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Similar to Concentration Program
P6-6 Semibatch: Moles, Na, Nb, etc.
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P6-6 Semibatch: Concentrations CA, CB, CC
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 Semibatch Reactors
Three Forms of the Mole Balances applied to Semibatch Reactors:

dNA
1. Molar Basis  rAV
dt
dNB
 FB 0  rBV
dt
dCA 0 dNA
2. Concentration  rA  C A  rAV
Basis dt V dt
0
 rB  CB 0  CB 
dCB dNB
 FB 0  rBV
dt V dt

dX  rAV
3. Conversion 
dt N A0
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 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 Concentration No. of Moles

dX k 1  X N Bi  FB 0t  N A0 X  dCA 
 rA  C A 0
dNA
 rAV

dt V0  0t dt V dt


 rA  CB 0  CB  0
dCB dNB
 FA0  rBV
dt V dt
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 Polymath Equations

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 End of Lecture

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