Thermodynamic Stability of Natural Aqueous Systems

Thermodynamic Stability of Natural Aqueous Systems

Igor Povar, Oxana Spinu, Tudor Lupascu, Gheorghe Duca
DOI: 10.4018/978-1-6684-5678-1.ch028
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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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Main Focus Of The Chapter

In this chapter the thermodynamics of the precipitation-dissolution processes of the sparingly soluble salts of different nature and the arbitrary composition under the conditions of the various side reactions between the precipitated ions (solid phase) and the saturated solution components are examined. As side reactions, protonation reactions of the ligand, hydrolysis of the metal ion, formation of neutral, protonated and hydroxocomplex are considered. For this purpose, an original method of analyzing complex chemical equilibria in the presence of solid phases is used. The notion of generalized reaction equation is introduced in order to take into account all conjugated side reactions. This equation is the generalization of a set of common chemical equations, taking into account the simultaneous formation of several different chemical species. The necessity of examining a global process derives from the fact that the nature and ratio of the concentrations of the complex species resulting from the reactions depend on the ratio of the concentrations of the initial substances (metal ion and ligand), temperature and other factors (thermodynamic parameters).

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