Main Article-18.

Diffusion with a
heterogeneous
chemical
reaction
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 Consider a model for catalytic
reactor

 The
reaction 2A B carried in the
reactor

 Theexample of this type is solid

catalyzed dimerization of
CH3CH = CH2
 Figure
ℓ=0 ℓ=L

Gas A Gases
A&B

Catalyst Coated
Spheical Material

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Lahore, Pakistan
 Idealized model of the
diffusion problem

XA0
Z=0
A
XA Catalytic
XB
Z surface
B

Z= δ

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Lahore, Pakistan
Stagnent film across the catalyst surface

A diffuses to reach at catalyst surface

Reaction 2A B occurs at catalyst surface

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 Catalyst
particle surrounded by
stagnant gas film.

A has to diffuse to reach the

catalyst surface.

 Atcatalyst surface we assume the

reaction 2A B occur
instantaneously.
 What to find????
To get an expression for the
local rate of conversion from A
to B,When the effective film
thickness and concentrations
XA0 and XB0 are known.

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At steady state,
the stoichiometry of the reaction
gives the following relation.

NBZ = -1/2N AZ

From figure one mole of B moving in

the MINUS -z direction for every two
moles of A moving in the PLUS-z
direction.
Equation for combined flux

x A
N Az  cDAB  x A N AZ  N BZ  Equation 18.0-1
z

Combined
flux Convectiv
Molecular
e flux
flux

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Pakistan
 Put value of NBZ in equation:

dx A  1 
N Az  cDAB  x A  N AZ  N AZ 
dz  2 
 After Rearranging

1  dx A
N Az  x A  N AZ   cDAB
2  dz
 Simplify and get value of NAZ

cDAB dx A
N Az  (A)
1 dz
1 x A
2
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Pakistan
 Expression for concentration profile

 A steady state mass balance over an increment ∆z of the

column gives
SNAz | z  SNAz | z  z  0

 ‘S’is the cross-sectional area of the column. Division

by S∆z and taking the limit as ∆z —» 0 gives
 NAz | z NAz | z  z 
Lim    0
z 0
 z z 

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Contd…
 
dNAz
0 (B)
dz

 Substitution of Eq.A in Eq.B gives:

 
d  cDAB dxA 
 0
dz  1  1 xA dz 
 
 2 
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Pakistan
 For an ideal gas mixture at constant temperature and
pressure ‘с’ must be a constant and for gases “DAB” is
independent of concentration. Hence cDAB can be taken
outside of the derivative to get
 
d  1 dxA 
 0
dz  1  1 xA dz 
 
 2 

 This is a second-order differential equation for the

concentration profile expressed as mole fraction of A.
Integration with respect to z
 
d  1 dxA 
 
dz  1 
  0
xA dz 
1
 
 2 
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 1 dxA
  C1
1  1 xA dz
2
 A second integration gives:

 2 ln( 1  1 xA)  C1 z  C2
2
 Where C1 & C2 are constants of integration

 As C1 & C2 are constants of integration, so they can

be replaced by a constant;

 2 ln( 1  1 xA)  (2 ln K1 ) z  2 ln K 2 (C)

2
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Lahore, Pakistan
The values of integration constants k1
and k2 is easier to calculate than c1
and c2, so applying the boundary
conditions.
Final equation for the
concentration profile in the
gas film is.

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Equation 18.3-2 may now be
used to get the molar flux of
reactant through the film.
Which is.

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