9708494 Yeh Experimental investigations of biogeochemical processes must be transformed into quantitative data bases to further scientific advances. While thermodynamic data bases can be found in many geochemical equilibrium models, biogeochemical kinetic data bases are meager. Conceptual models derived from scientific understanding must be solidified with mathematically and computationally sound numerical models to include coupled biogeochemical reactions and hydrological and thermal transport for practical applications. It is therefore, proposed to conduct research to: develop a kinetic data base for better physical-biogeochemical coupling by synthesizing experimental data available in the literature to extract rate constant and reaction parameters. make the kinetic data base freely on a web site as a forum for continuous compilation and refinement. create efficient and robust numerical algorithms for solving nonlinear advective-dispersive-reaction transport equations, and develop and verify a coupled model of hydrological, thermal, geochemical, biochemical processes, incorporating the numerical algorithms and kinetic data base. The significance of this research is two fold. First, it initiates development of geochemical kinetic rate constants and biochemical reaction parameters, which should become the forum for the continuous compilation of a data base. Second, the numerical software will be instrumental in the identification of reaction paths and in the interpretation of biogeochemical and hydrological processes affecting the fate, mobility, treatability, and transport of wastes found in field sites. This proposal was submitted in response to the Environmental Geochemistry and Biogeochemistry solicitation NSF-96-152, and is being funded jointly by the Divisions Earth Sciences and Mathematical Sciences.
