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On the calculation of the structure of charge-stabilized colloidal dispersions using density-dependent potentials

Castaneda-Priego, R.; Lobaskin, V.; Mixteco-Sanchez, J. C.; Rojas-Ochoa, L. F. and Linse, Per LU (2012) In Journal of Physics: Condensed Matter 24(6).
Abstract
The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa... (More)
The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa shape, the osmotic pressure constraint allows us to have a good description of the colloidal structure without losing information on the system thermodynamics. Our findings are corroborated by primitive model simulations of salt-free colloidal dispersions. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physics: Condensed Matter
volume
24
issue
6
publisher
IOP Publishing
external identifiers
  • wos:000300260100019
  • scopus:84856365148
ISSN
1361-648X
DOI
10.1088/0953-8984/24/6/065102
language
English
LU publication?
yes
id
32660b24-82e1-4867-a151-1badbe448d8c (old id 2406463)
date added to LUP
2012-03-28 12:46:21
date last changed
2017-08-20 03:59:12
@article{32660b24-82e1-4867-a151-1badbe448d8c,
  abstract     = {The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa shape, the osmotic pressure constraint allows us to have a good description of the colloidal structure without losing information on the system thermodynamics. Our findings are corroborated by primitive model simulations of salt-free colloidal dispersions.},
  author       = {Castaneda-Priego, R. and Lobaskin, V. and Mixteco-Sanchez, J. C. and Rojas-Ochoa, L. F. and Linse, Per},
  issn         = {1361-648X},
  language     = {eng},
  number       = {6},
  publisher    = {IOP Publishing},
  series       = {Journal of Physics: Condensed Matter},
  title        = {On the calculation of the structure of charge-stabilized colloidal dispersions using density-dependent potentials},
  url          = {http://dx.doi.org/10.1088/0953-8984/24/6/065102},
  volume       = {24},
  year         = {2012},
}