Mathematical Modeling Aspect in Solvent Extraction of Metals

This paper gives an overview of the major research carried out on mathematical modeling for solvent extraction of metals, primarily in the last one decade. The basic theory of solvent extraction as well as, the operational mechanism of various extractors (mixer-settler, column extractors, and liquid membranes) have been described. It discusses different approaches of mathematical modeling for studying solvent extraction of metals, starting from the simple empirical models to more rigorous transport phenomena models. Further, theoretical studies using molecular level modeling techniques such as molecular mechanics (MM), density functional theory, quantum mechanics/MM and Our own N-layered integrated molecular orbital and molecular mechanics (ONIOM) methods implemented for studying metal-ligand complexation have been reviewed.