3D reactive Transport modelling: Coupling the GOCAD streamline simulator to the geochemical PHREEQC model.

@inproceedings{2421_collon,
 abstract = { 3D reactive transport modelling is a current challenging research topic with a wide range of
applications in both natural resource management and environmental engineering. A large part of
existing models uses a “grid approach” involving the flows and chemistry transport calculation in each
cell of the meshed object. This implies large computing times which often lead to the use of
simplified chemical and/or heterogeneity models, possibly neglecting secondary but important fluidsrocks
reactions and chemical species.
As suggested by Crane and Blunt (1999), this paper suggests to run the geochemical calculations on
streamlines in order to reduce the 3D problem to a 1D one. Flow rates and streamlines are computed
using the gOcad StreamLab finite volume streamline simulator (Fetel, 2007). An API has been
implemented as a StreamLab plug-in to simulate reactive transport along each streamline using the
PHREEQC geochemical modelling code (Parkhurst and Appelo, 1999). This popular code computes
one-dimensional transport processes including: (1) diffusion, (2) advection, (3) advection and
dispersion, and (4) advection and dispersion with diffusion into stagnant zones. All these processes
can be combined with equilibrium and kinetic reactions, opening a large spectrum of applications.
Tools for visualizing the time evolution of rock and fluid chemical compositions have also been
developed. The proposed methodology is tested on simple theoretical data sets, and opens new
avenues for coupling complex chemical reactions with realistic descriptions of 3D geological media
Keywords: streamlines, gOcad, PHREEQC, fluid rock interactions, 3D reactive transport modelling. },
 author = { Collon, Pauline AND Royer, Jean-Jacques AND Caumon, Guillaume },
 booktitle = { Proc. 28th Gocad Meeting, Nancy },
 title = { 3D reactive Transport modelling: Coupling the GOCAD streamline simulator to the geochemical PHREEQC model. },
 year = { 2008 }
}