A unified treatment of polar solvation using electrostatic fluctuations

Joakim Stenhammar; Per Linse; Gunnar Karlström

doi:10.1016/j.cplett.2010.12.008

A unified treatment of polar solvation using electrostatic fluctuations

Joakim Stenhammar, Per Linse, Gunnar Karlström

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	364-368
Journal	Chemical Physics Letters
Volume	501
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2010.12.008
Publication status	Published - 2011

Bibliographical 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)

Subject classification (UKÄ)

Physical Chemistry
Theoretical Chemistry

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10.1016/j.cplett.2010.12.008

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title = "A unified treatment of polar solvation using electrostatic fluctuations",

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 = "Joakim Stenhammar and Per Linse and Gunnar Karlstr{\"o}m",

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)",

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doi = "10.1016/j.cplett.2010.12.008",

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T1 - A unified treatment of polar solvation using electrostatic fluctuations

AU - Stenhammar, Joakim

AU - Linse, Per

AU - Karlström, Gunnar

N1 - 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)

PY - 2011

Y1 - 2011

N2 - 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.

AB - 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.

U2 - 10.1016/j.cplett.2010.12.008

DO - 10.1016/j.cplett.2010.12.008

M3 - Article

SN - 0009-2614

VL - 501

SP - 364

EP - 368

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

A unified treatment of polar solvation using electrostatic fluctuations

Abstract

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