Example:

Adsorption and Heterogeneous

Reactions
Introduction
Small parallel plate reactor with an active surface is studied. These
types of processes are found in heterogeneous reactors, biacores,
etc.

The problem shows one of the most unique COMSOL Multiphysics
features; coupling phenomena defined in different dimensions. In
this case, a surface process is coupled to a process defined in a
volume.

Mass balance is defined on the surface with surface diffusion and
surface reaction rates using a tangential PDE. This, and the
corresponding adsorbing and desorbing processes, can be coupled
to the 2D problem through a (weak) boundary expression.


Geometry
The flow channel is modeled with a geometry and PDE in 2D
The active surface is modeled with another PDE that lives in 1D space only
Coupling Scheme
) (
ads
k
k
c c
ads
des
+u
( )
0
c
D c c
t
c
+V V + =
c
u
0
c c =
( ) 0 = + V n u c c D
( ) n u n u = + V c c c D
( )
( )
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c k c c k
c c D
+
= + V
0
u
n u
( ) = V V
c
c
s s s s
s
c D
t
c
( )
s des s ads
c k c c k
0
u
Weak Form
0 0
0
s T
c
D
(
I = V
(

F d
a
= I V +
c
c
t
c
s
( )
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c k c c k + =
0
F u
The surface equation needs to be defined in a 1D weak application mode,
and it is coupled to the 2D PDE through a boundary condition:
General Form:
where:
1 d
a
=
Tangential PDEs have derivatives in the direction of the tangent-plane to
the surface only

Weak Form (continued)
} }
O O
= I V vFdA dA v
( ) ( )
} } }
O O O c
= I V I vFdA dA v ds v n
( ) ( )
} }
O c O
I + + I V = ds v dA vF v n 0
Multiply by test function v
and integrate:
Perform integration by parts
on left hand side:
Rearranged:
In COMSOL Multiphysics:
weak=Ds*(-csTx_test*csTx-csTy_test*csTy)+cs_test*
(kads*c*(theta0-cs)-kdes*cs)
dweak=cs_test*cs_time
Concentration in the Bulk and at the Surface
Increase in
lateral supply of
reactant
Surface Concentration as Function of Time at the Surface
Time Evolution in Bulk
Concluding Remarks
The model is highly relevant for heterogeneous reactions
in the cases where the surface concentrations have to be
accounted for.

Access to the weak form gives added flexibility.

Other uses for extended multiphysics can include:
Coupling process control to chemical/transport processes
Modelling phenomena on different scales, such as packed beds