Lattice gas automata for flow and transport in geochemical systems.

D.R. JANECKY; S. CHEN; SILVINA DAWSON; KC EGGERT; B.J. TRAVIS

Water-Rock Interaction.

Balkema

Año: 1992; p. 1043 - 1046

Lattice gas automata models are described, which couple solute transport with chemical reactions at mineral surfaces within pore networks. Diffusion in a box calculations are illustrated, which compare directly with Fickian diffusion. Chemical reactions at solid surfaces, including precipitation/dissolution, sorption and catalytic reaction, can be examined with the model because hydrodynamic transport, solute diffusion and mineral surface processes are all treated explicitely. The simplicity and flexibility of the approach provides the ability to study the interrelationship between fluid flow and chemical reactions in porous materials, at a level of complexity that has not previously been computationally possible.