Collect. Czech. Chem. Commun. 1985, 50, 2331-2337

Ion solvation. Application of combined discrete and continuum models

Petr Kyselka and Ivo Sláma

Institute of Inorganic Chemistry, Czechoslovak Academy of Sciences, 160 00 Prague 6


Thermodynamic functions for the solvation systems ion-solvent (ion = Li+, Be2+, Na+, Mg2+, and Al3+; solvent = H2O, CH3CN, DMSO, and DMF) are calculated on the basis of combined continuum and discrete models. For the mixed systems water-ion-solvent, the mole fraction of solvent is included in the calculation.