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# L -18 :Diffusion and Reaction in a Porous

Catalyst
Chapter 12 Fogler
Prof. K.K.Pant
Department of Chemical Engineering
IIT Delhi.
kkpant@chemical.iitd.ac.in

## Gas-Solid Contact in TWO-Phase Reactors

External
Diffusion

Internal
Diffusion

Catalytic Surface

## Bulk Diffusion (External mass

transfer):
Diffusion controlled reactions are usually
fast. (High temperatures)
Design of reactors design of mass transfer
equipment.
Increase in mass velocity increases the rate.

## High L/D ratio reactors (narrow tubes) are

favored.
3

Pore Diffusion:
Pore diffusion controlled reactions are few.

## Design of reactors most complicated.

Approaches bulk diffusion if the pore size is
large.
Approaches Knudsen diffusion if the pore
size is small.
No effect of temperature or mass velocity.

## Low L/D ratio reactors (wide) may be used

with consequent reduction in pressure drop.
4

## Pore Diffusion Resistance combined with Surface Kinetics

Ist order reactions in a straight cylindrical pore

## Linear Differential equation

General solution

Where,
B.C, At pore mouth x = 0, CA= CAs,
No flux or movement of mass at the end of pore (closed end),

Solving

## Distribution and average value of reactant concentration within a catalyst

pore as a function of the parameter Thiele modulus
m L= =

Rate

10

## Derivation of the Differential Equation

~ Diffusion and Reaction in a spherical pellet
Moles = WAr (4 r2)r

d (WAr r )
rA c r 2 0
dr
dy A
dC A
WAr cDe
De
dr
dr

Molar flux

In out disappearance =0
WAr (4 r2)r - WAr (4 r2)r+ r - rA (4 r2 c r) =0
Dividing by -4 r

d [ De (dC A / dr )r 2 ]
rA c r 2 0
dr
Order of
reaction?

-rA=c(-rA)

Boundary
conditions
=r+r

## Lets simply consider 1st order

d [ De (dC A / dr )r ]
2

rA c r 0
dr
2

d [ De (dC A / dr )r 2 ] 2
r k1C A 0
dr

c(-rA) =-rA

volumetric

-rA=kCA

Differentiation &
Divide by r2De

## What about n-th order ?

d [ De (dC A / dr )r 2 ] 2
r k nC An 0
dr

Differentiation &
Divide by r2De

d C A 2 dCA k1

CA 0
2
dr
r dr De
2

## What about n-th order ?

d 2C A 2 dCA kn n

CA 0
2
dr
r dr De

## Dimensionless Form of the Equation

Dimensionless symbol was normally introduced to
Reduce complexity in equation
Simplify operation of calculation
Scale-up the reactor

## Let = CA/CAs and =r/R

dCA/dr= (dCA/d)(d/dr)= (d/d )(dCA/d) x
(d/dr)
=> dCA/dr = (d/d )(CAS /R)
d2CA/dr2= d/dr(dCA/dr)= (d2/d 2)(CAS /R2)

When
CA=CAs at r=R, =1 and =1
CA=finite at r=0, =finite and =0

d 2C A 2 dCA k1

CA 0
2
dr
r dr De

d 2 2 d 2
1 0
2
d r dr
Thiele
Module

k1 R 2
De

## About for n-th order ?

2
2
d
2 d 2 n
d C A 2 dCA kn n
n 0

CA 0
2
2
d r dr
dr
r dr De
Thiele
Module

n 1
k n R 2C As
De

Thiele Modulus, n
2 n-1
n
k
R
C
k
RC
"a" surface reaction rate
2
n
As
n
As
n =
=
=
De
De [(CAs - 0)/R]
"a" diffusion rate
If n is large internal diffusion limits the
overall rate
If n is small the surface reaction limits the
overall rate
C
1 sinh

y=
d2y/d 2 - 2y=0
y= A Cosh + B Sinh
A=0 as must be finite
at the centre
(B. C =0, cos h 1;
1/ , and Sinh 0.

CAs

sinh1

## Calculation of Catalytic Effectiveness Factor

Catalytic Effectiveness Factor:

where

1 (Coth3 1 )

3
- Thiele Modulus
1st order reaction rate:
Spherical Pellet
Cylindrical Pellet
Slab Pellet

R kSap / De
3

kSap / De
2

L kSap / De

## Internal Effectiveness Factor

Actual overall rate of reaction
=
Rate of reaction that would result if entire
interior surface were exposed to the external
pellet surface conditions CAs ,Ts

Internal
effectiveness
Factor, is:
ranged 0 1
for a first-order
reaction in a
spherical catalyst
pellet

-rA
-rA'
-rA"
=
= ' = "
-rAs -rAs -rAs

3
= 2 1coth1 -1
1