Chapter 12 - Modern and Future Trends in Fundamentals of Solvent Extraction

Abstract

This chapter gives a brief overview of the modern and future trends in the fundamentals of solvent extraction. There are various instruments of theoretical chemistry that have been widely used to describe the separate steps of solvent extraction. Because of the complexity of solvent extraction systems, there is still no unified theory and no successful approach aimed at merging the extraction steps. The challenging problem for researchers dealing with solvent extraction, in particular with thermodynamic calculations, is to evaluate correctly the solvent effects by the use of the most accurate explicit solvation models and quantum mechanical calculations. Chemical quantum mechanics now promises to contribute to the prediction of distribution ratios, particularly when used in the interactive computer modeling of chemical structures and reactions. This will provide better understanding of solute–solvent interactions and the theory of solubility, which is the foundation for the prediction of distribution ratios. Furthermore, progress is likely to speed up as efficient computing programs with large databases become more easily available on the market at more attainable prices. Such interactive computer research will be able to explain poor extractability due to steric hindrance, hydration, the synergistic effect of specific additives, etc., and, as a consequence, give clues to better extraction reagents and conditions.