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A classical density functional theory of ionic liquids.

Forsman, Jan LU ; Woodward, Clifford E and Trulsson, Martin LU (2011) In The Journal of Physical Chemistry Part B 115(16). p.4606-4612
Abstract
We present a simple, classical density functional approach to the study of simple models of room temperature ionic liquids. Dispersion attractions as well as ion correlation effects and excluded volume packing are taken into account. The oligomeric structure, common to many ionic liquid molecules, is handled by a polymer density functional treatment. The theory is evaluated by comparisons with simulations, with an emphasis on the differential capacitance, an experimentally measurable quantity of significant practical interest.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
115
issue
16
pages
4606 - 4612
publisher
The American Chemical Society
external identifiers
  • wos:000289697300006
  • pmid:21456566
  • scopus:79955410943
ISSN
1520-5207
DOI
10.1021/jp111747w
language
English
LU publication?
yes
id
9bcbc215-6656-4d5c-8cc9-f59a7473927e (old id 1937659)
date added to LUP
2011-05-24 17:50:56
date last changed
2017-11-05 04:05:23
@article{9bcbc215-6656-4d5c-8cc9-f59a7473927e,
  abstract     = {We present a simple, classical density functional approach to the study of simple models of room temperature ionic liquids. Dispersion attractions as well as ion correlation effects and excluded volume packing are taken into account. The oligomeric structure, common to many ionic liquid molecules, is handled by a polymer density functional treatment. The theory is evaluated by comparisons with simulations, with an emphasis on the differential capacitance, an experimentally measurable quantity of significant practical interest.},
  author       = {Forsman, Jan and Woodward, Clifford E and Trulsson, Martin},
  issn         = {1520-5207},
  language     = {eng},
  number       = {16},
  pages        = {4606--4612},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {A classical density functional theory of ionic liquids.},
  url          = {http://dx.doi.org/10.1021/jp111747w},
  volume       = {115},
  year         = {2011},
}