Chapter 3: Geochemical thermodynamic modelling of ion partitioning
Dmitrii A. Kulik
The partitioning of an ionic species between two or more co-existing phases is closely related to chemical speciation, solubility, sorption and solid-solution formation in the geochemical system. The aim of chemical thermodynamic modelling is to find the stable or metastable chemical speciation in such a system; from that, any possible ion partition or distribution coefficient can be retrieved. This chapter aims to highlight some typical features of modelling the equilibrium partitioning of inorganic ionic species between aqueous electrolyte and solid phases, including adsorption and ion exchange on their surfaces. Some guidance is also given on methods and computer codes that can be used in helping us understand and predict ion partitioning in complex scenarios, where several competing solids are involved in a minor element uptake by different mechanisms.
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