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Surface forces in polymer fluids: A comparison between simulations and density functional theory

Forsman, Jan LU ; Broukhno, Andrei LU ; Jönsson, Bo LU and Åkesson, Torbjörn LU (2004) In Journal of Chemical Physics 120(1). p.413-416
Abstract
A polymer density functional theory is evaluated in terms of its ability to predict interactions between large surfaces in a polymer fluid. Comparisons are made with results from simulations in an expanded isotension ensemble. The variation of the net surface-surface interaction with adsorption strength is examined. Cases where the monomers interact via a pure hard sphere potential are investigated, but we have also studied the effect of attractions between the monomers. In all cases, we obtain an almost quantitative agreement between the simulated results and the predictions from the polymer density functional theory. (C) 2004 American Institute of Physics.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
120
issue
1
pages
413 - 416
publisher
American Institute of Physics
external identifiers
  • wos:000187577400052
  • pmid:15267303
  • scopus:0942288564
ISSN
0021-9606
DOI
10.1063/1.1629674
language
English
LU publication?
yes
id
32ababb4-0e47-4939-b73e-bd683bd90b91 (old id 139706)
date added to LUP
2007-07-17 09:32:12
date last changed
2017-01-08 03:57:50
@article{32ababb4-0e47-4939-b73e-bd683bd90b91,
  abstract     = {A polymer density functional theory is evaluated in terms of its ability to predict interactions between large surfaces in a polymer fluid. Comparisons are made with results from simulations in an expanded isotension ensemble. The variation of the net surface-surface interaction with adsorption strength is examined. Cases where the monomers interact via a pure hard sphere potential are investigated, but we have also studied the effect of attractions between the monomers. In all cases, we obtain an almost quantitative agreement between the simulated results and the predictions from the polymer density functional theory. (C) 2004 American Institute of Physics.},
  author       = {Forsman, Jan and Broukhno, Andrei and Jönsson, Bo and Åkesson, Torbjörn},
  issn         = {0021-9606},
  language     = {eng},
  number       = {1},
  pages        = {413--416},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Surface forces in polymer fluids: A comparison between simulations and density functional theory},
  url          = {http://dx.doi.org/10.1063/1.1629674},
  volume       = {120},
  year         = {2004},
}