Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

A simple correlation-corrected theory of systems described by screened Coulomb interactions

Forsman, Jan LU (2007) In Langmuir 23(10). p.5515-5521
Abstract
We present a simple correlation-corrected density functional treatment of dispersions containing macroions, where these are assumed to interact via screened Coulomb potentials, as given by Debye-Hückel theory. A straightforward mean-field description even fails to qualitatively capture important correlation effects displayed by such systems. However, if an effective, correlation-corrected potential is adopted at short range, then the predictions are in qualitative and semiquantitative agreement with simulated results. The correlation corrections are evaluated in a manner that is completely analogous to those recently presented in correlation-corrected Poisson-Boltzmann theory (Forsman, J. J. Phys. Chem. B 2004, 108, 9236). The accuracy of... (More)
We present a simple correlation-corrected density functional treatment of dispersions containing macroions, where these are assumed to interact via screened Coulomb potentials, as given by Debye-Hückel theory. A straightforward mean-field description even fails to qualitatively capture important correlation effects displayed by such systems. However, if an effective, correlation-corrected potential is adopted at short range, then the predictions are in qualitative and semiquantitative agreement with simulated results. The correlation corrections are evaluated in a manner that is completely analogous to those recently presented in correlation-corrected Poisson-Boltzmann theory (Forsman, J. J. Phys. Chem. B 2004, 108, 9236). The accuracy of the theory is evaluated by comparison with simulation data on systems displaying correlation-generated packing effects and stratification forces. (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
23
issue
10
pages
5515 - 5521
publisher
The American Chemical Society (ACS)
external identifiers
  • wos:000246071800046
  • scopus:34249739033
ISSN
0743-7463
DOI
10.1021/la063179l
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
id
71b87e0a-f1ba-40b8-8d94-8cb115005b05 (old id 995389)
date added to LUP
2016-04-01 11:59:50
date last changed
2023-01-03 02:26:23
@article{71b87e0a-f1ba-40b8-8d94-8cb115005b05,
  abstract     = {{We present a simple correlation-corrected density functional treatment of dispersions containing macroions, where these are assumed to interact via screened Coulomb potentials, as given by Debye-Hückel theory. A straightforward mean-field description even fails to qualitatively capture important correlation effects displayed by such systems. However, if an effective, correlation-corrected potential is adopted at short range, then the predictions are in qualitative and semiquantitative agreement with simulated results. The correlation corrections are evaluated in a manner that is completely analogous to those recently presented in correlation-corrected Poisson-Boltzmann theory (Forsman, J. J. Phys. Chem. B 2004, 108, 9236). The accuracy of the theory is evaluated by comparison with simulation data on systems displaying correlation-generated packing effects and stratification forces.}},
  author       = {{Forsman, Jan}},
  issn         = {{0743-7463}},
  language     = {{eng}},
  number       = {{10}},
  pages        = {{5515--5521}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Langmuir}},
  title        = {{A simple correlation-corrected theory of systems described by screened Coulomb interactions}},
  url          = {{http://dx.doi.org/10.1021/la063179l}},
  doi          = {{10.1021/la063179l}},
  volume       = {{23}},
  year         = {{2007}},
}