6.

Flow Systems XIV

o Express concentration as a function of conversion
b c d
A B C D
a a a

Liquid Phase Gas Phase

Flow FB Batch NB N B Batch FB Flow

CB  CB  CB  CB 
v V V v
N P T F P T
No phase change V  V0 T 0 v  v0 T 0
N T0 P T0 FT0 P T0
v  v0 V  V0
N B N T0 P T0 FB FT0 P T0
 b  CB  CB 
CB  CA0   B  X  N T V0 P0 T FT v0 P0 T
 a 
N B P T0 F P T0
  yA0 CB  CT0 CB  CT0 B
N T P0 T FT P0 T
d c b
δ   1 No phase change (or semipermeable membrane
a a a  b 
P y P CA0  B  X 
CT0  0 , CA0  A0 0 P T
v  v0 (1  X ) 0 , CB   a  P T0
RT0 RT0 P T0 1  X P0 T
Mar/17 2011 Spring 1
 4. Isothermal Reactor Design
o Objectives
- Describe the CRE algorithm that allows the reader
to solve chemical reaction engineering problems
through logic rather than memorization.
- Size batch reactors, semibatch reactors, CSTRs,
PFRs, PBRs, membrane reactors, and microreactors
for isothermal operation given the rate law and feed
conditions.
- Account for the effects of pressure drop on
conversion in packed bed tubular reactors and in
packed bed spherical reactors
1. Algorithm for Isothermal Reactor Design I
o Isothermal reactor design algorithm for conversion
1) V dN j
F j 0  F j   rj dV 
dt
2) Apply mole balance to reactor type
3) Is -rA = f(X) given? ⇒ Then evaluate the equation
4) If not, determine the rate law in terms of conc.
5) Use stoichiometry to express conc. as a function of
conversion
6) Combine step 4) & 5) to obtain -rA = f(X)
7) Consider volume change
8) Combine 4) ~ 7) and solve ODE (Polymath)

Mar/24 2011 Spring 3

1. Algorithm for Isothermal Reactor Design II

Mar/24 2011 Spring 4

1. Algorithm for Isothermal Reactor Design III

Mar/24 2011 Spring 5

2. Applications/Examples of the CRE Algorithm I

Gas Phase
Elementary Additional Information
Reaction

Only A fed P0 = 8.2 atm

T0 = 500 K CA0 = 0.2 mol/dm3

2A → B

k = 0.5 dm3/mol·s vo = 2.5 dm3/s

Solve for X = 0.9 for A is limiting

Mar/24 2011 Spring 6

2. Applications/Examples of the CRE Algorithm II

Reactor Mole Balance Rate Law Stoichiometry

X dX
Batch t  N A0   rA  kC2 Gas:
0  rAV A
V = V0

FA0 X Gas:
CSTR V  rA  kCA2
 rA T =T0, P =P0

X dX
PFR V  FA0   rA  kCA2 Gas:
0  rA T =T0, P =P0

Mar/24 2011 Spring 7

2. Applications/Examples of the CRE Algorithm III

Reactor Stoichiometry 2

Per mole A ? N A N A0 (1  X )
CA  
Batch V V0
 CA0 (1  X )

Per mole A
CSTR A → ½B FA FA0 (1  X )
ε = 1.0(1- ½) = -0.5 CA  
v v0 (1  εX )
Per mole A (1  X )
PFR A → ½B  CA0
(1  εX )
ε = 1.0(1- ½) = -0.5
Mar/24 2011 Spring 8
2. Applications/Examples of the CRE Algorithm IV

Reactor Stoichiometry 3

1
N A0 ( X )
Batch NB 2 CA0 X
CB   
V V0 2

1
CSTR FA0 ( X)
FB 2
CB  
v v0 (1  εX )
CA0 X

PFR 2(1  εX )

Mar/24 2011 Spring 9

2. Applications/Examples of the CRE Algorithm V

Reactor Combine Integration

1 X  1  1  X 
Batch t
kCA0 0  (1  X ) 2 
 
dX t
kCA0  (1  X ) 

FA0 X (1  0.5 X ) 2
CSTR V 2ε(1  ε) ln(1  X ) 
kCA02
(1  X ) 2 FA0  
V 2  (1  ε) X 
2
kCA0 ε X 
2

X  (1  0.5 X ) 
2  1  X 
FA0
2 0 
PFR V 2 
dX
kCA0  (1  X ) 

Mar/24 2011 Spring 10

2. Applications/Examples of the CRE Algorithm VI

Reactor Evaluate For X = 0.9

Batch kCA0 = (0.5)(0.2) t = 90 s

= 0.1 s-1

kC2A0 = (0.5)(0.2)2
= 0.02mol/dm3·s V = 680.6 dm3
CSTR FA0 = CA0·v0 τ = V/v0 = 272.3 s
= (0.2)(2.5) = 0.5 mol/s

V = 90.7 dm3
PFR τ = V/v0 = 36.3 s

Mar/24 2011 Spring 11

3. Design of CSTRs I
o Single CSTR 1
- Design equation FA0 X
V 
(  rA ) exit
- Substitute FA0 = v0CA0 v0CA0 X
V 
 rA
- Space time τ V CA0 X
τ 
v0  rA
- 1st order rxn assume CA0 X 1 X 
τ   
 rA k 1 X 
- Rearranging X 
τk
1  τk
Mar/24 2011 Spring 12
3. Design of CSTRs II
o Single CSTR 2
- CA = CA0(1 - X) CA0
CA 
1  τk
- Damköhler number ⇒ dimensionless number
• quick estimate of the degree on conversion
achieved by continuous reactors
 rA0V Rate of rxn at entrance
Da  
FA0 Entering flow rate of A
A rxn rate

A convection rate

Mar/24 2011 Spring 13

3. Design of CSTRs III
o Single CSTR 3
- Damköhler number for a 1st order irrev. rxn
 rA0V kCA0V
Da    τk
FA0 v0CA0
- Damköhler number for a 2nd order irrev. rxn
 rA0V kCA0
2
V
Da    τkCA0
FA0 v0CA0
- Rule of thumb
• if Da < 0.1, then X < 0.1
• if Da > 10, then X > 0.9
☞ 1st order rxn, X = Da/(1 + Da)
Mar/24 2011 Spring 14
3. Design of CSTRs IV
o CSTR in series 1
- 1st order irrev. rxn with no change in volumetric flow
rate, effluent of the first reactor C A0
C A1 
1  τ1k1
- For 2nd reactor FA1  FA2 v0 (CA1  CA2 )
V2  
 rA2 k2 CA2
- Solving for CA2 C 
CA1 CA0

1  τ 2 k 2 (1  τ 2 k2 )( 1  τ1 k1 )
A2

- For n CSTRs in series C  CA0 CA0


(1   k ) (1  Da ) n
An n

- n tank in series 1 1
X  1  1
Mar/24 2011(1  τk )
Spring
n
(1  Da ) n 15
3. Design of CSTRs V
o CSTR in series 2

CA0
 rAn  kCAn  k
(1  τk ) n

Mar/24 2011 Spring 16

3. Design of CSTRs VI
o CSTR in parallel 1
- One large reactor of volume V

o 2nd order reactor in a CSTR

FA0 X FA0 X v0CA0 X
V   
 rA kCA 2 2
kCA0 (1  X ) 2

- Dividing by v0 τ  V  X
v0 kCA0 (1  X ) 2
- For conversion X
(1  2Da) - 1  4Da Ex 4-2,
X
2Da p 163

Mar/24 2011 Spring 17

4. Tubular Reactors I
o Design equation
- Differential form dX
FA0   rA
• Q or ∆P dV
- Integral form X dX
V  FA0 
• no Q or ∆P 0 r
A
o 2nd order reactor in a PFR 1
X dX
V  FA0 
0 kC 2
A

Mar/24 2011 Spring 18

4. Tubular Reactors II
o 2nd order reactor in a PFR 2
- Liquid phase reaction (v = v0)
• combining MB & rate law dX kCA2

dV FA0
• conc. of A, C  C (1  X )
A A0
• combining
v0  X 
x
FA0 dx
V 2    
kCA0 0 (1  X )  kCA0  1  X 
2

• solving for X
τkCA0 Da 2
X 
1  τkCA0 1  Da 2
Mar/24 2011 Spring 19
4. Tubular Reactors III
o 2nd order reactor in a PFR 3
- Gas phase reaction (T = T0, P = P0)
• conc. of A, C A  CA0  1  X 
1 εX 
• combining  
X (1  ε X )
V  FA0  dX
0 kCA0 (1  X ) 2

v0 X (1  ε X ) 2
V  2
kCA0 0 (1  X ) 2
dX

v0  ( 1  ε ) 2
X
V  2ε (1  ε ) ln( 1  X )  ε X 
2

kCA0  1 X 

Mar/24 2011 Spring 20

5. Pressure Drop in Reactors I
o Pressure Drop and the Rate Law
- In PBR in terms of catalyst weight
dX  gram moles 
FA0   rA  
dW  gram catalyst  min 
• rate equation,  r   kC2
A A
• stoichiometry CA0 (1  X ) P T0
CA 
1  ε X P0 T
• isothermal dX  CA0 (1  X ) 
2
P
2

FA0  k   
dW  1  ε X   P0 
2 2
dX kCA0  CA0 (1  X )  P dX
  1  εX     F1 ( X , P )
dW v0    P0  dW
Mar/24 2011 Spring 21
5. Pressure Drop in Reactors II
o Flow through a Packed Bed
- Ergun equation
dP G  1    150(1   )μ 
     1.75G 
dz ρ g c D p    
3
Dp 
• pressure drop in packed bed
dP P0  T  FT
  β0  
dz P  T0  FT 0
P0  T 
  1  εX 
dP
  β0
dz P  T0 
G(1   )  150(1   ) 
β0  3 
 1.75G 
ρ 0 g c DP   DP 
Mar/24 2011 Spring 22