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Coarse-Graining Intermolecular Interactions in Dispersions of Highly Charged Colloids

Turesson, Martin; Jönsson, Bo LU and Labbez, Christophe (2012) In Langmuir 28(11). p.4926-4930
Abstract
Effective pair potentials between charged colloids, obtained from Monte Carlo simulations of two single colloids in a closed cell at the primitive model level, are shown to reproduce accurately the structure of aqueous salt-free colloidal dispersions, as determined from full primitive model simulations by Linse et al. (Linse, P.; Lobaskin, V. Electrostatic Attraction and Phase Separation in Solutions of Like-Charged Colloidal Particles. Phys. Rev. Lett. 1999, 83, 4208). Excellent agreement is obtained even when ion-ion correlations are important and is in principle not limited to spherical particles, providing a potential route to coarse-grained colloidal interactions in more complex systems.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Langmuir
volume
28
issue
11
pages
4926 - 4930
publisher
The American Chemical Society
external identifiers
  • wos:000301636900005
  • scopus:84858791098
ISSN
0743-7463
DOI
10.1021/la3005008
language
English
LU publication?
yes
id
589458e5-3687-4bb0-90d2-f471383dcb0c (old id 2495082)
date added to LUP
2012-05-10 12:43:09
date last changed
2017-08-20 03:03:50
@article{589458e5-3687-4bb0-90d2-f471383dcb0c,
  abstract     = {Effective pair potentials between charged colloids, obtained from Monte Carlo simulations of two single colloids in a closed cell at the primitive model level, are shown to reproduce accurately the structure of aqueous salt-free colloidal dispersions, as determined from full primitive model simulations by Linse et al. (Linse, P.; Lobaskin, V. Electrostatic Attraction and Phase Separation in Solutions of Like-Charged Colloidal Particles. Phys. Rev. Lett. 1999, 83, 4208). Excellent agreement is obtained even when ion-ion correlations are important and is in principle not limited to spherical particles, providing a potential route to coarse-grained colloidal interactions in more complex systems.},
  author       = {Turesson, Martin and Jönsson, Bo and Labbez, Christophe},
  issn         = {0743-7463},
  language     = {eng},
  number       = {11},
  pages        = {4926--4930},
  publisher    = {The American Chemical Society},
  series       = {Langmuir},
  title        = {Coarse-Graining Intermolecular Interactions in Dispersions of Highly Charged Colloids},
  url          = {http://dx.doi.org/10.1021/la3005008},
  volume       = {28},
  year         = {2012},
}