CSTR Design Equation

CSTR with a liquid-phase reaction:

Single CSTR mole balance

FA0 X
Design equation: V
 rA exit
V C A0 X
 
Space time:
0  rA exit

Rate law (1st order):  rA  kC A

Stoichiometry: C A  C A0 1 X 
 CSTR
FA0 X V C A0 X
V
 rA exit
; 
0

 rA exit  rA  kC A C A  C A0 1 X 

1 X  k
Combining:    X
k  1 X  1  k

C A0
CA 
1 k Damköhler Number
 Damköhler Number
Dimensionless number that can give us a quick estimate of the
degree of conversion that can be achieved in CSTR

 rA0 .V
Da 
F A0

kC A0 .V
1st order irreversible Da    .k
reaction  0 .C A0

kC 2A0 .V
2nd order irreversible reaction Da    .kC A0
0C A0

Gives a quick estimate of the degree of Da < 1 X < 10%

conversion Da > 1 X > 90%
 CSTR in Series (Cont.)
Concentration flowing to the 2nd
reactor
C A0
C A1 
1  1k1 CA0
CA1 CA2
X1 X2

Design equation the 2nd reactor

FA1  FA2 C  C A2
V2   υ 0 A1
 rA2 k 2C A2
-rA1 -rA2
V1 V2
C A0
C A2 
So,
1  1k1 1  2k 2 
C A0
If the reactor have the same size and C A2 
temperature 1 k 2
 C A0
C A2 
1 Da 2
In term of Damköhler number

C A0
For n reactors C An 
1 Da n

C A0
C A0 1 X  
Conversion
1 Da n
1
X  1 n equal size, same T
1 Da n  1   2  .....   n  
k1  k 2  .....  k n  k
 CSTR in Series
When Damköhler number is above 1, a high conversion in few
reactors
 CSTR in Parallel
X1
FA01
Let’s consider identical reactors with the
feed equally distributed, than conversion
factors and the reaction rates are the
same
FA0
Xi
FA0i

 Xi  V FA0i  X i 
Vi  FA0i   or   
  rAi  n n   rAi 
Xn

So, the situation is identical to a single

reactor with the size equal to the total
volume of all reactors.
 Summary: CSTR
F A0 .X
Mole balance : V
 rA

Rate laws :  rA  kC A  rA  kC 2A

V
Space time : 
0

Parallel
 .k (1  2Da)  1 4Da
X X
1   .k 2Da
Conversion :
Series
1
X  1 Da=.k.CA0 (2nd order)
(1   .k)n

Number of reactors
 Example: CSTR Data

The elementary gas-phase reaction

(CH3)3COOC(CH3)3 → C2H6 + 2CH3COCH3

is carried out isothermally in a flow reactor with no pressure drop. The

specific reaction rate at 50°C is 10-4 min-1 (from pericosity data) and the
activation energy is 85 kJ/mol. Pure di-tert-butyl peroxide enters the
reactor at 10 atm and 127°C and a molar flow rate of 2.5 mol/min.

Calculate the reactor volume to achieve 90% conversion in CSTR

 Solution: CSTR Data
a. CSTR A → B + 2C

F A0 X
Mole balance : V
 rA

Rate laws :  rA  kC A ε  y A0 δ  1(2  1 1)  2

C A0 1 X 
Stoichiometry : CA 
1 εX 
P 10 mol
: C A0  A0   0.3
RT 0.082 400 dm3
FA0 X 1 εX 
Combine : V
C A0k 1 X 
Solution: CSTR Data (Cont.)

85000  1 1 
  
k  104 e 8.31  323 400 
 0.044

V
2.5mol/min0.9 1 2(9) 
0.044m1 0.3mol/dm3 1 0.9 

V  4772dm3
Tubular Reactor: Liquid Phase
dX
Design equation: F A0  rA
dV
X
In the ABSENCE of pressure drop: V  FA0 dX
0  rA

 products
Consider a 2nd order reaction: A 

Rate law:  rA  kC 2A

Stoichiometry: C A  C A0 1 X 

F X dX  X kC A0 Da 2
V  A02
kC A0 0

1 X 2 kC A0 1 X 
X 
1 kC A0 1 Da 2
Tubular Reactor: Gas Phase
For T, P constant, the concentration is a function of conversion

FA FA C A0 1 X 
Stoichiometry: C A   
  0 1 εX  1 εX 

Rate law:  rA  kC 2A

X
F (1  εX)2

2 
Combining: V  A0 dX
kC A0 0 (1  X)
2
Tubular Reactor: Gas Phase (Cont.)

Integral equation in APPENDIX A.1

Reactor volume for a 2nd order gas-phase reaction

0  1  ε 2
X
V 2ε1 ε ln1 X   ε X 
2

kC A0  1 X 

Divide both sides by cross-sectional area of the reactor

0  1  ε 2
X
L 2ε1 ε ln1 X   ε X 
2

kC A0 A c  1 X 
Tubular Reactor: Gas Phase (Cont.)
if ε<0: i.e. number of moles
↓: volumetric flow rate ↓,
the residence time↑, so X↑

if ε>0: i.e. number of moles

↑ : flow rate ↑, the
residence time ↓, so X ↓
Summary: Tubular Reactors (Gas Phase)

X
dX
Mole balance : V  FA0 
0
 rA

Rate laws :  rA  kC A  rA  kC 2A

(1  X)
Stoichiometry : C A  C A0
(1  εX)

X
F
X
(1  εX) FA0 (1  εX)2
2 
V dX
Combine : V  A0

kC A0 0 (1  X)
dX
kC A0 0 (1  X)
2
 Example: (Cont. from CSTR)

V  FA0 
X dX FA0 X 1 εX  dX
Combine :
0

 rA kCA0 0 1 X 

FA0  1 
 1  ε ln  εX 
kC A0 1 X

 2.5mol/min   1 
V   1 2 ln  1.8 

 0.044min 0.3mol/dm
1 3
    1 0.9 


 189.4dm3 5.11 
V  967dm3