A unified treatment of polar solvation using electrostatic fluctuations
(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:
https://lup.lub.lu.se/record/1876309
- author
- Stenhammar, Joakim LU ; Linse, Per LU and Karlström, Gunnar LU
- organization
- publishing date
- 2011
- 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
- additional info
- 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)
- id
- 12b18baa-e40b-4c3f-bde2-5dd03aa4ab66 (old id 1876309)
- date added to LUP
- 2016-04-01 14:27:16
- date last changed
- 2023-01-04 04:43:34
@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}}, doi = {{10.1016/j.cplett.2010.12.008}}, volume = {{501}}, year = {{2011}}, }