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Topic: Optimization of a finite volume differencing scheme for multispecies
transport problem

Replies: 4   Last Post: Aug 4, 2008 8:26 AM

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Posts: 10
Registered: 7/31/08
Optimization of a finite volume differencing scheme for multispecies
transport problem

Posted: Jul 31, 2008 8:17 PM
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I am working on a 3d finite volume scheme for an advection-diffusion-
reaction problem involving a large number of chemical species (more
than 60) and a large domain (an big lake for example). Since this
scheme will be used on large problem, I want it to be as efficient as
possible. The linear operators are splitted in 2 :

(1) advection-diffusion is solved using a fully implicit finite volume
discretisation with a multigrid method for solving the linear system
of equations
(2) chemistry is solved using a Runge-Kutta-Rosenbrock solver for
stiff ODE.

The transport (1) actually have the following form

foreach specie in speciesList {

and takes a lot of time on the computer.

Assuming that diffusion coefficients are the same for all species, the
whole fluid (including all species) should follow the same path during
the transport. I wonder if it really necessairy to loop over all
species and compute the transport several time. It is possible to
compute the transport of the fluid once, and after reuse this
calculation to the different species ?

I would really appreciate suggestion or reference on this.

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