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

Michael H. Abraham, J. Liszi, Lajos Mészáros

Research output: Contribution to journalArticle

80 Citations (Scopus)

Abstract

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 ε = n2, independent of the dielectric saturation effect of the ion.

Original languageEnglish
Pages (from-to)2491-2496
Number of pages6
JournalThe Journal of Chemical Physics
Volume70
Issue number5
Publication statusPublished - 1979

Fingerprint

Solvation
Free energy
solvation
Electrostatics
free energy
Ions
electrostatics
continuums
Permittivity
permittivity
ions
Entropy
entropy
saturation
Saturation (materials composition)
radii
Liquids
liquids

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Calculations on ionic solvation. III. The electrostatic free energy of solvation of ions, using a multilayered continuum model. / Abraham, Michael H.; Liszi, J.; Mészáros, Lajos.

In: The Journal of Chemical Physics, Vol. 70, No. 5, 1979, p. 2491-2496.

Research output: Contribution to journalArticle

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