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Potential of mean force between charged colloids: Effect of dielectric discontinuities

Rescic, Jurij and Linse, Per LU (2008) In Journal of Chemical Physics 129(11).
Abstract
The potential of mean force between two spherical and like-charged macroions in a salt-free aqueous solution has been determined using an extended primitive model and canonical Monte Carlo simulations. The systems considered covered the range from a purely repulsive to a purely attractive potential of mean force as the electrostatic coupling was increased. The macroions were modeled as spherical dielectric cavities, and the polarization surface charge densities occurring at the dielectric discontinuities were expanded in spherical harmonics. The surface polarization gave rise to (i) an attenuation of the counterion accumulation at the macroion surfaces at all cases considered, (ii) an enhanced repulsive potential of mean force in the weak... (More)
The potential of mean force between two spherical and like-charged macroions in a salt-free aqueous solution has been determined using an extended primitive model and canonical Monte Carlo simulations. The systems considered covered the range from a purely repulsive to a purely attractive potential of mean force as the electrostatic coupling was increased. The macroions were modeled as spherical dielectric cavities, and the polarization surface charge densities occurring at the dielectric discontinuities were expanded in spherical harmonics. The surface polarization gave rise to (i) an attenuation of the counterion accumulation at the macroion surfaces at all cases considered, (ii) an enhanced repulsive potential of mean force in the weak to intermediate electrostatic coupling regime, and (iii) a less attractive at short separation and an enhanced attractive potential of mean force at longer macroion-macroion separation in the strong electrostatic coupling regime. (c) 2008 American Institute of Physics. [DOI: 10.1063/1.2971038] (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
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in
Journal of Chemical Physics
volume
129
issue
11
publisher
American Institute of Physics
external identifiers
  • wos:000259883900025
  • scopus:52349085462
ISSN
0021-9606
DOI
10.1063/1.2971038
language
English
LU publication?
yes
id
dc9b3b4b-3b44-4d35-a5cd-de94ce2edd0a (old id 1285756)
date added to LUP
2009-02-06 09:17:56
date last changed
2017-01-01 04:23:03
@article{dc9b3b4b-3b44-4d35-a5cd-de94ce2edd0a,
  abstract     = {The potential of mean force between two spherical and like-charged macroions in a salt-free aqueous solution has been determined using an extended primitive model and canonical Monte Carlo simulations. The systems considered covered the range from a purely repulsive to a purely attractive potential of mean force as the electrostatic coupling was increased. The macroions were modeled as spherical dielectric cavities, and the polarization surface charge densities occurring at the dielectric discontinuities were expanded in spherical harmonics. The surface polarization gave rise to (i) an attenuation of the counterion accumulation at the macroion surfaces at all cases considered, (ii) an enhanced repulsive potential of mean force in the weak to intermediate electrostatic coupling regime, and (iii) a less attractive at short separation and an enhanced attractive potential of mean force at longer macroion-macroion separation in the strong electrostatic coupling regime. (c) 2008 American Institute of Physics. [DOI: 10.1063/1.2971038]},
  author       = {Rescic, Jurij and Linse, Per},
  issn         = {0021-9606},
  language     = {eng},
  number       = {11},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Potential of mean force between charged colloids: Effect of dielectric discontinuities},
  url          = {http://dx.doi.org/10.1063/1.2971038},
  volume       = {129},
  year         = {2008},
}