15 research outputs found
A global method for coupling transport with chemistry in heterogeneous porous media
Modeling reactive transport in porous media, using a local chemical
equilibrium assumption, leads to a system of advection-diffusion PDE's coupled
with algebraic equations. When solving this coupled system, the algebraic
equations have to be solved at each grid point for each chemical species and at
each time step. This leads to a coupled non-linear system. In this paper a
global solution approach that enables to keep the software codes for transport
and chemistry distinct is proposed. The method applies the Newton-Krylov
framework to the formulation for reactive transport used in operator splitting.
The method is formulated in terms of total mobile and total fixed
concentrations and uses the chemical solver as a black box, as it only requires
that on be able to solve chemical equilibrium problems (and compute
derivatives), without having to know the solution method. An additional
advantage of the Newton-Krylov method is that the Jacobian is only needed as an
operator in a Jacobian matrix times vector product. The proposed method is
tested on the MoMaS reactive transport benchmark.Comment: Computational Geosciences (2009)
http://www.springerlink.com/content/933p55085742m203/?p=db14bb8c399b49979ba8389a3cae1b0f&pi=1
Looking for some reference solutions for the reactive transport benchmark of MoMaS with SPECY
International audienceNumerical benchmark can be an efficient way to validate reactive transport codes. The reactive transport benchmark of GNR MoMaS is here presented and solved on its easy 1D version. The reactive transport code SPECY is presented with a brief description of its main numerical methods: discontinuous finite elements for solving advection, mixed hybrid finite elements for solving dispersion and NewtonâRaphson method to linearise the equilibrium chemistry and respect of the chemically allowed interval and positive continuous fractions methods to increase the robustness of the chemistry resolution. By successive mesh and time step refinement, we use the reactive transport code SPECY to look for a reference solution to this problem
On the efficiency of the direct substitution approach for reactive transport problems in porous media
International audienc