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Photo Jan Forsman

Jan Forsman

Professor

Photo Jan Forsman

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

Author

  • Jan Forsman
  • Andrei Broukhno
  • Bo Jönsson
  • Torbjörn Åkesson

Summary, in English

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.

Department/s

  • Computational Chemistry

Publishing year

2004

Language

English

Pages

413-416

Publication/Series

Journal of Chemical Physics

Volume

120

Issue

1

Document type

Journal article

Publisher

American Institute of Physics (AIP)

Topic

  • Theoretical Chemistry (including Computational Chemistry)

Status

Published

ISBN/ISSN/Other

  • ISSN: 0021-9606