Abstract
Long-term prediction of the complex chemical processes and their practical consequences is only feasible by using simulation models. The chapter presents a thermodynamic approach to the study of complex chemical equilibria in natural aqueous multicomponent systems. Its quintessence consists in the thermodynamic analysis of the conditions of various processes on the basis of derived overall thermodynamic characteristics. Ways to shift from chemical-analytical, descriptive characteristics in heterogeneous multicomponent systems “mineral – natural aqueous systems” to the quantitative study of involved chemical equilibria by thermodynamic and computer modeling are extensively described. The analyzed chemical processes include the heterogeneous interaction of minerals and aqueous solution, homogeneous reactions of hydrolysis, complex formation, and acid-base equilibria.
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