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Effect of discrete macroion charge distributions in solutions of like-charged macroions

Qamhieh, K and Linse, Per LU (2005) In Journal of Chemical Physics 123(10). p.12-104901
Abstract
The effect of replacing the conventional uniform macroion surface charge density with discrete macroion charge distributions on structural properties of aqueous solutions of like-charged macroions has been investigated by Monte Carlo simulations. Two discrete charge distributions have been considered: point charges localized on the macroion surface and finite-sized charges protruding into the solution. Both discrete charge distributions have been examined with fixed and mobile macroion charges. Different boundary conditions have been applied to examine various properties. With point charges localized on the macroion surface, counterions become stronger accumulated to the macroion and the effect increases with counterion valence. As a... (More)
The effect of replacing the conventional uniform macroion surface charge density with discrete macroion charge distributions on structural properties of aqueous solutions of like-charged macroions has been investigated by Monte Carlo simulations. Two discrete charge distributions have been considered: point charges localized on the macroion surface and finite-sized charges protruding into the solution. Both discrete charge distributions have been examined with fixed and mobile macroion charges. Different boundary conditions have been applied to examine various properties. With point charges localized on the macroion surface, counterions become stronger accumulated to the macroion and the effect increases with counterion valence. As a consequence, with mono- and divalent counterions the potential of mean force between two macroions becomes less repulsive and with trivalent counterions more attractive. With protruding charges, the excluded volume effect dominates over the increased correlation ability; hence the counterions are less accumulated near the macroions and the potential of mean force between two macroions becomes more repulsive/less attractive. (c) 2005 American Institute of Physics. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
123
issue
10
pages
12 - 104901
publisher
American Institute of Physics
external identifiers
  • wos:000231886000038
  • scopus:25144466489
ISSN
0021-9606
DOI
10.1063/1.1979496
language
English
LU publication?
yes
id
d3601181-a4e4-4370-8c27-e43fcc8da489 (old id 157549)
date added to LUP
2007-07-12 10:40:36
date last changed
2017-03-05 03:33:11
@article{d3601181-a4e4-4370-8c27-e43fcc8da489,
  abstract     = {The effect of replacing the conventional uniform macroion surface charge density with discrete macroion charge distributions on structural properties of aqueous solutions of like-charged macroions has been investigated by Monte Carlo simulations. Two discrete charge distributions have been considered: point charges localized on the macroion surface and finite-sized charges protruding into the solution. Both discrete charge distributions have been examined with fixed and mobile macroion charges. Different boundary conditions have been applied to examine various properties. With point charges localized on the macroion surface, counterions become stronger accumulated to the macroion and the effect increases with counterion valence. As a consequence, with mono- and divalent counterions the potential of mean force between two macroions becomes less repulsive and with trivalent counterions more attractive. With protruding charges, the excluded volume effect dominates over the increased correlation ability; hence the counterions are less accumulated near the macroions and the potential of mean force between two macroions becomes more repulsive/less attractive. (c) 2005 American Institute of Physics.},
  author       = {Qamhieh, K and Linse, Per},
  issn         = {0021-9606},
  language     = {eng},
  number       = {10},
  pages        = {12--104901},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Effect of discrete macroion charge distributions in solutions of like-charged macroions},
  url          = {http://dx.doi.org/10.1063/1.1979496},
  volume       = {123},
  year         = {2005},
}