Calculations on ionic solvation. III. The electrostatic free energy of solvation of ions, using a multilayered continuum model

摘要

For the calculation of the electrostatic free energy (and also the entropy) of solvation of an ion, a model is set up in which an ion of given crystallographic radius is surrounded by a series of concentric spherical layers, each with a different relative permittivity, immersed in the bulk liquid. A complete general solution is given for any number of such layers, both for the electrostatic free energy of solvation and the corresponding entropy term. The dielectric saturation effect is taken into account through the different relative permittivities of the layers. The first layer, next to the ion, is considered to have a special role and to have a relative permittivity egr;=n2, independent of the dielectric saturation effect of the ion.