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Two-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents

Karlström, Gunnar LU ; Linse, Per LU and Woodward, Clifford E. (2010) In Journal of Chemical Physics 132(8).
Abstract
General expressions for two-center electrostatic potential correlations and its use to determine (i) the effective interaction between simple ions in a dipolar solvent and (ii) the dielectric permittivity of the solvent are proposed. Such two-center potential correlations were determined from Monte Carlo simulations of spherically confined dipolar particles embedded in a dielectric medium described by using an image charge approximation. The deduced dielectric permittivities increased with increasing dipolar moment, and at large dipole moments the effective interaction displayed an attractive first minimum. (C) 2010 American Institute of Physics.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
132
issue
8
publisher
American Institute of Physics
external identifiers
  • wos:000275029200028
  • scopus:77749262184
ISSN
0021-9606
DOI
10.1063/1.3319501
language
English
LU publication?
yes
id
7cbb9c53-51ef-48f3-8e94-9861db720d11 (old id 1568118)
date added to LUP
2010-03-24 10:28:46
date last changed
2018-05-29 09:24:47
@article{7cbb9c53-51ef-48f3-8e94-9861db720d11,
  abstract     = {General expressions for two-center electrostatic potential correlations and its use to determine (i) the effective interaction between simple ions in a dipolar solvent and (ii) the dielectric permittivity of the solvent are proposed. Such two-center potential correlations were determined from Monte Carlo simulations of spherically confined dipolar particles embedded in a dielectric medium described by using an image charge approximation. The deduced dielectric permittivities increased with increasing dipolar moment, and at large dipole moments the effective interaction displayed an attractive first minimum. (C) 2010 American Institute of Physics.},
  articleno    = {084508},
  author       = {Karlström, Gunnar and Linse, Per and Woodward, Clifford E.},
  issn         = {0021-9606},
  language     = {eng},
  number       = {8},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Two-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents},
  url          = {http://dx.doi.org/10.1063/1.3319501},
  volume       = {132},
  year         = {2010},
}