Unified theory of metal ion complexation

Brown, P. L. Wanner, H. 1987. Predicted Formation Constants Using the Unified Theory of Metal Ion Complexation. OECD Nuclear Energy Agency, Paris. 

Broersma, S. (1957) Magnetic moment of iron ions. ). Chem. Phys., 26, 1405—1406. Brown, PL. and Wanner, H. (1987) Predicted Formation Constants Using the Unified Theory of Metal Ion Complexation, Organisation for Economic Cooperation and Development, Nuclear Energy Agency, Paris, 102 pp. 

Brown and Sylva (1987) developed one of the best theories for the prediction of stability and solubility constants (Langmuir, 1997 Moriyamaef /., 2005). The unified theory of metal ion complexation (UTMIC), as it relates to hydrolysis species and phases, was described in Chapter 2. A variation of Eq. (2.86) is given in the following for the stability constant of the hydrolysis species... 

Various instruments of theoretical chemistry have been widely to describe separate steps of solvent extraction of metal ions. Because of the complexity of solvent extraction systems, there is still no unified theory and no successful approach aimed at merging the extraction steps. It has already been pointed out that the challenging problem for theoreticians dealing with solvent extraction of metals, in particular with thermodynamic calculations, is to evaluate correctly solvent effects by the use of the most accurate explicit solvation models and QM calculations. However, such calculations on extremely large sets consisting of hundreds or even thousands of molecules, necessary to model all aspects of the extraction systems, are still impossible due to both hardware and software limitations. 

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