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Analysis of resolutions of predictive models for anthropogenic changes in the chemical composition of groundwaters and their optimum geochemical content


, : Analysis of resolutions of predictive models for anthropogenic changes in the chemical composition of groundwaters and their optimum geochemical content. Geochemistry International 38(7): 629-639

This paper addresses some applied predictive problems of environmental hydrogeochemistry. Analysis of the resolutions of various models describing the chemical evolution of groundwaters, their adequacy in portraying the real hydrogeochemical processes, and their software implementation indicates that thermodynamic and kinetic models have the greatest potential for solving current applied predictive problems. However, the solid theoretical basis and significant predictive potential of these models do not imply that they can be easily imported from the domain of theoretical geochemistry and applied to the solution of practical predictive hydrogeochemical problems. In order to efficiently use these models for predictive purposes and to make the most of their predictive potential, the optimum theoretical solutions in these models should be combined with the geochemical consideration of those anthropogenic factors that actively shift equilibria in hydrogeochemical systems and influence the kinetics of geochemical processes. The most significant of these factors are (a) variations in the relative proportions of interacting water masses, (b) variations in the relative proportions of reacting masses of rocks and groundwaters (solid/liquid ratios), and (c) thermodynamic openness of hydrogeochemical systems with respect to various gas components. Another essential requirement for the efficient solution of predictive problems involving nonconservative components with highly soluble compounds is to achieve a synthesis of geochemical (thermodynamic and kinetic) models with convective transport models. Most of the individual geochemical models cannot describe and calculate the distributions of readily soluble compounds in groundwater flow. The optimum approach to this synthesis of models is to solve the transport and geochemical problems separately. This approach bypasses many practical contradictions between disequilibrium and irreversible transport and kinetic processes, on the one hand, and thermodynamic equilibrium models, on the other hand.

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