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 explicitly. 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.
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Los Alamos National Lab., NM (USA)
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New Mexico
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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 explicitly. 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.
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Janecky, D. R.; Chen, S.; Dawson, S.; Eggert, K. C. & Travis, B. J.Lattice gas automata for flow and transport in geochemical systems,
article,
May 1, 1992;
New Mexico.
(https://digital.library.unt.edu/ark:/67531/metadc1319144/:
accessed July 16, 2024),
University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu;
crediting UNT Libraries Government Documents Department.
