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Main Article-18.

Diffusion with a
heterogeneous
chemical
reaction
UNIVERSITY OF ENGINEERING AND TECHNOLOGY LAHORE
 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

University of Engineering & Technology


Lahore, Pakistan
Idealized model of the
diffusion problem

XA0
Z=0
A
XA Catalytic
XB
Z surface
B

Z= δ

University of Engineering & Technology


Lahore, Pakistan
Stagnent film across the catalyst surface

A diffuses to reach at catalyst surface

Reaction 2A B occurs at catalyst surface

University of Engineering & Technology Lahore, Pakistan


 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.

UNIVERSITY OF ENGINEERING AND TECHNOLOGY LAHORE


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

University of Engineering & Technology Lahore,


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
University of Engineering & Technology Lahore,
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 

University of Engineering & Technology Lahore,


Pakistan
Contd…
 
dNAz
0 (B)
dz

 Substitution of Eq.A in Eq.B gives:

 
d  cDAB dxA 
 0
dz  1  1 xA dz 
 
 2 
University of Engineering & Technology Lahore,
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 
University of Engineering & Technology Lahore,
Pakistan
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
University of Engineering & Technology
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.

UNIVERSITY OF ENGINEERING AND TECHNOLOGY LAHORE


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

UNIVERSITY OF ENGINEERING AND TECHNOLOGY LAHORE

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