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Ion-ion correlation attraction in a molecular solvent.

Pegado, Luis LU ; Jönsson, Bo LU and Wennerström, Håkan LU (2008) In Journal of Chemical Physics 129(18).
Abstract
We have performed Monte Carlo simulations for two like-charged infinite plates with counterions and solvent in between. The solvent is described at the primitive model (PM) level and also as a Stockmayer fluid. Both descriptions share the same qualitative ion correlation picture. At sufficiently high coupling, the pressure between the plates shows an attractive minimum, which is lost or reduced upon decreasing counterion valency, surface charge density, or increasing the screening. The pressure profiles become more oscillatory with higher density, which masks the ion-ion correlation attraction. An interpretation in terms of interaction free energies rather than pressures clarifies the picture. Analyzing the different contributions to the... (More)
We have performed Monte Carlo simulations for two like-charged infinite plates with counterions and solvent in between. The solvent is described at the primitive model (PM) level and also as a Stockmayer fluid. Both descriptions share the same qualitative ion correlation picture. At sufficiently high coupling, the pressure between the plates shows an attractive minimum, which is lost or reduced upon decreasing counterion valency, surface charge density, or increasing the screening. The pressure profiles become more oscillatory with higher density, which masks the ion-ion correlation attraction. An interpretation in terms of interaction free energies rather than pressures clarifies the picture. Analyzing the different contributions to the pressure gives further support to the conclusions; the same components are responsible for the same effect in the PM and in the molecular solvent. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
129
issue
18
publisher
American Institute of Physics
external identifiers
  • wos:000260944300033
  • pmid:19045410
  • scopus:56349097724
ISSN
0021-9606
DOI
10.1063/1.2985609
language
English
LU publication?
yes
id
ea6bc111-72cb-4d06-8ddc-52da4b28f761 (old id 1276632)
date added to LUP
2009-01-29 14:37:30
date last changed
2017-09-24 03:35:59
@article{ea6bc111-72cb-4d06-8ddc-52da4b28f761,
  abstract     = {We have performed Monte Carlo simulations for two like-charged infinite plates with counterions and solvent in between. The solvent is described at the primitive model (PM) level and also as a Stockmayer fluid. Both descriptions share the same qualitative ion correlation picture. At sufficiently high coupling, the pressure between the plates shows an attractive minimum, which is lost or reduced upon decreasing counterion valency, surface charge density, or increasing the screening. The pressure profiles become more oscillatory with higher density, which masks the ion-ion correlation attraction. An interpretation in terms of interaction free energies rather than pressures clarifies the picture. Analyzing the different contributions to the pressure gives further support to the conclusions; the same components are responsible for the same effect in the PM and in the molecular solvent.},
  articleno    = {184503},
  author       = {Pegado, Luis and Jönsson, Bo and Wennerström, Håkan},
  issn         = {0021-9606},
  language     = {eng},
  number       = {18},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Ion-ion correlation attraction in a molecular solvent.},
  url          = {http://dx.doi.org/10.1063/1.2985609},
  volume       = {129},
  year         = {2008},
}