A lattice gas automata model for heterogeneous chemical reactions at mineral surfaces and in pore networks
- Washington Univ., Seattle, WA (USA). Dept. of Geological Sciences
- Los Alamos National Lab., NM (USA)
A lattice gas automata (LGA) model is described, which couples solute transport with chemical reactions at mineral surfaces and in pore networks. Chemical reactions and transport are integrated into a FHP-I LGA code as a module so that the approach is readily transportable to other codes. Diffusion in a box calculations are compared to finite element Fickian diffusion results and provide an approach to quantifying space-time ratios of the models. Chemical reactions at solid surfaces, including precipitation/dissolution, sorption, and catalytic reaction, can be examined with the model because solute diffusion and mineral surface processes are all treated explicitly. The simplicity and flexibility of the LGA 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. 20 refs., 8 figs.
- Research Organization:
- Los Alamos National Lab., NM (USA)
- Sponsoring Organization:
- DOE/ER
- DOE Contract Number:
- W-7405-ENG-36
- OSTI ID:
- 7268352
- Report Number(s):
- LA-UR-90-196; CONF-8909298--1; ON: DE90006516
- Country of Publication:
- United States
- Language:
- English
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