Surface forces in polymer fluids: A comparison between simulations and density functional theory
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/139706
- author
- Forsman, Jan LU ; Broukhno, Andrei LU ; Jönsson, Bo LU and Åkesson, Torbjörn LU
- organization
- publishing date
- 2004
- 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 (AIP)
- external identifiers
-
- wos:000187577400052
- pmid:15267303
- scopus:0942288564
- ISSN
- 0021-9606
- DOI
- 10.1063/1.1629674
- 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
- 32ababb4-0e47-4939-b73e-bd683bd90b91 (old id 139706)
- date added to LUP
- 2016-04-01 12:02:47
- date last changed
- 2023-01-10 22:21:14
@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 (AIP)}}, 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}}, doi = {{10.1063/1.1629674}}, volume = {{120}}, year = {{2004}}, }