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Gunnar Karlström

Professor emeritus

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A unified treatment of polar solvation using electrostatic fluctuations

Author

  • Joakim Stenhammar
  • Per Linse
  • Gunnar Karlström

Summary, in English

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.

Department/s

  • Physical Chemistry
  • Computational Chemistry

Publishing year

2011

Language

English

Pages

364-368

Publication/Series

Chemical Physics Letters

Volume

501

Issue

4-6

Document type

Article

Publisher

Elsevier

Topic

  • Physical Chemistry (including Surface- and Colloid Chemistry)
  • Theoretical Chemistry (including Computational Chemistry)

Status

Published

ISBN/ISSN/Other

  • ISSN: 0009-2614