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Monte Carlo simulation of the mean force between two like-charged macroions with simple 1 : 3 salt added

Angelescu, Daniel LU and Linse, Per LU (2003) In Langmuir 19(23). p.9661-9668
Abstract
The mean force and the potential of the mean force between two like-

harged macroions with monovalent counterions and added simple 1:3 salt described within the primitive model and confined in a cylindrical cell have been investigated by Monte Carlo simulations. Without additional salt, a strongly repulsive mean force was obtained at all macroion separations, consistent with a stable solution of macroions. At a trivalent counterion-to-macroion charge ratio of 0.4, the mean force became attractive at short separations but still possessed a substantial repulsion at longer separations. However, at a stoichiometric amount of trivalent counterions, no long-range repulsion remained and the attraction became substantial (approximate... (More)
The mean force and the potential of the mean force between two like-

harged macroions with monovalent counterions and added simple 1:3 salt described within the primitive model and confined in a cylindrical cell have been investigated by Monte Carlo simulations. Without additional salt, a strongly repulsive mean force was obtained at all macroion separations, consistent with a stable solution of macroions. At a trivalent counterion-to-macroion charge ratio of 0.4, the mean force became attractive at short separations but still possessed a substantial repulsion at longer separations. However, at a stoichiometric amount of trivalent counterions, no long-range repulsion remained and the attraction became substantial (approximate to5kT attraction at a short separation). In excess of salt, the magnitude of the attractive mean force was reduced. The attractive component of the mean force originates from spatial correlations between counterions residing near different macroions and is not captured by mean-field theories such as the Poisson-Boltzmann equation or any of its simplific

tions. The observed sequence of mean forces is consistent with recent experimental observations on an aqueous solution of sodium dodecyl sulfate micelles as Al(NO3)(3) was added. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Langmuir
volume
19
issue
23
pages
9661 - 9668
publisher
The American Chemical Society
external identifiers
  • wos:000186484800019
  • scopus:0345447138
ISSN
0743-7463
DOI
10.1021/la030153a
language
English
LU publication?
yes
id
210aaf43-babe-43db-9c73-361e98483150 (old id 121908)
date added to LUP
2007-07-10 16:09:42
date last changed
2018-10-03 09:30:08
@article{210aaf43-babe-43db-9c73-361e98483150,
  abstract     = {The mean force and the potential of the mean force between two like-<br/><br>
harged macroions with monovalent counterions and added simple 1:3 salt described within the primitive model and confined in a cylindrical cell have been investigated by Monte Carlo simulations. Without additional salt, a strongly repulsive mean force was obtained at all macroion separations, consistent with a stable solution of macroions. At a trivalent counterion-to-macroion charge ratio of 0.4, the mean force became attractive at short separations but still possessed a substantial repulsion at longer separations. However, at a stoichiometric amount of trivalent counterions, no long-range repulsion remained and the attraction became substantial (approximate to5kT attraction at a short separation). In excess of salt, the magnitude of the attractive mean force was reduced. The attractive component of the mean force originates from spatial correlations between counterions residing near different macroions and is not captured by mean-field theories such as the Poisson-Boltzmann equation or any of its simplific<br/><br>
tions. The observed sequence of mean forces is consistent with recent experimental observations on an aqueous solution of sodium dodecyl sulfate micelles as Al(NO3)(3) was added.},
  author       = {Angelescu, Daniel and Linse, Per},
  issn         = {0743-7463},
  language     = {eng},
  number       = {23},
  pages        = {9661--9668},
  publisher    = {The American Chemical Society},
  series       = {Langmuir},
  title        = {Monte Carlo simulation of the mean force between two like-charged macroions with simple 1 : 3 salt added},
  url          = {http://dx.doi.org/10.1021/la030153a},
  volume       = {19},
  year         = {2003},
}