A unified treatment of polar solvation using electrostatic fluctuations

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Abstract

A unified description of solvation in dielectric media characterized by a static relative permittivity e is presented. The approach is based on probability distributions representing fluctuating dipole moments and electric fields and goes beyond the traditional mean-field approach. In addition to reproducing some standard results, we present an expression for the solvation free energy of a dielectric sphere immersed in an infinite dielectric medium. Furthermore, the solvation process is analyzed in detail by decomposing the solvation free energy into its energetic and entropic contributions. (C) 2010 Elsevier B.V. All rights reserved.

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Subject classification (UKÄ) – MANDATORY

  • Physical Chemistry
  • Theoretical Chemistry
Original languageEnglish
Pages (from-to)364-368
JournalChemical Physics Letters
Volume501
Issue number4-6
Publication statusPublished - 2011
Publication categoryResearch
Peer-reviewedYes

Bibliographic note

The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039), Physical Chemistry 1 (S) (011001006)