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An improved density functional description of hard sphere polymer fluids at low density.

Forsman, Jan LU and Woodward, C E (2003) In Journal of Chemical Physics 119(4). p.1889-1892
Abstract
A refined formulation of an existing polymer density functional theory is presented, wherein an intrachain stiffness is introduced via a bending potential. Comparisons with Metropolis Monte Carlo simulations in a slit geometry shows that this leads to a considerable improvement of the predicted density profile for a hard sphere polymer melt, at low density. We also show how the corresponding surface interactions are affected by the inclusion of this intramolecular correlation. We expect that the improvement obtained will be even more important in the description of, for example, polyelectrolytes, although such comparisons are not made in this preliminary study. ©2003 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
119
issue
4
pages
1889 - 1892
publisher
American Institute of Physics
external identifiers
  • wos:000184103000001
  • scopus:0041707721
ISSN
0021-9606
DOI
10.1063/1.1595646
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
a99d2425-4874-4eaa-a2e4-73b9cf9f1a5a (old id 128679)
date added to LUP
2016-04-01 11:49:28
date last changed
2020-01-12 08:40:53
@article{a99d2425-4874-4eaa-a2e4-73b9cf9f1a5a,
  abstract     = {A refined formulation of an existing polymer density functional theory is presented, wherein an intrachain stiffness is introduced via a bending potential. Comparisons with Metropolis Monte Carlo simulations in a slit geometry shows that this leads to a considerable improvement of the predicted density profile for a hard sphere polymer melt, at low density. We also show how the corresponding surface interactions are affected by the inclusion of this intramolecular correlation. We expect that the improvement obtained will be even more important in the description of, for example, polyelectrolytes, although such comparisons are not made in this preliminary study. ©2003 American Institute of Physics.},
  author       = {Forsman, Jan and Woodward, C E},
  issn         = {0021-9606},
  language     = {eng},
  number       = {4},
  pages        = {1889--1892},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {An improved density functional description of hard sphere polymer fluids at low density.},
  url          = {http://dx.doi.org/10.1063/1.1595646},
  doi          = {10.1063/1.1595646},
  volume       = {119},
  year         = {2003},
}