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A unified treatment of polar solvation using electrostatic fluctuations

Stenhammar, Joakim LU ; Linse, Per LU and Karlström, Gunnar LU (2011) In Chemical Physics Letters 501(4-6). p.364-368
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.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Chemical Physics Letters
volume
501
issue
4-6
pages
364 - 368
publisher
Elsevier
external identifiers
  • wos:000285829300040
  • scopus:78650807505
ISSN
0009-2614
DOI
10.1016/j.cplett.2010.12.008
language
English
LU publication?
yes
id
12b18baa-e40b-4c3f-bde2-5dd03aa4ab66 (old id 1876309)
date added to LUP
2011-04-18 10:38:52
date last changed
2017-01-01 06:15:12
@article{12b18baa-e40b-4c3f-bde2-5dd03aa4ab66,
  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.},
  author       = {Stenhammar, Joakim and Linse, Per and Karlström, Gunnar},
  issn         = {0009-2614},
  language     = {eng},
  number       = {4-6},
  pages        = {364--368},
  publisher    = {Elsevier},
  series       = {Chemical Physics Letters},
  title        = {A unified treatment of polar solvation using electrostatic fluctuations},
  url          = {http://dx.doi.org/10.1016/j.cplett.2010.12.008},
  volume       = {501},
  year         = {2011},
}