Ion-ion correlation attraction in a molecular solvent.
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/1276632
- author
- Pegado, Luis LU ; Jönsson, Bo LU and Wennerström, Håkan LU
- organization
- publishing date
- 2008
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Chemical Physics
- volume
- 129
- issue
- 18
- article number
- 184503
- publisher
- American Institute of Physics (AIP)
- external identifiers
-
- wos:000260944300033
- pmid:19045410
- scopus:56349097724
- ISSN
- 0021-9606
- DOI
- 10.1063/1.2985609
- 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: Physical Chemistry 1 (S) (011001006), Theoretical Chemistry (S) (011001039)
- id
- ea6bc111-72cb-4d06-8ddc-52da4b28f761 (old id 1276632)
- date added to LUP
- 2016-04-01 11:58:41
- date last changed
- 2023-01-03 02:04:05
@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.}},
author = {{Pegado, Luis and Jönsson, Bo and Wennerström, Håkan}},
issn = {{0021-9606}},
language = {{eng}},
number = {{18}},
publisher = {{American Institute of Physics (AIP)}},
series = {{Journal of Chemical Physics}},
title = {{Ion-ion correlation attraction in a molecular solvent.}},
url = {{http://dx.doi.org/10.1063/1.2985609}},
doi = {{10.1063/1.2985609}},
volume = {{129}},
year = {{2008}},
}