A classical density functional theory of ionic liquids.
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/1937659
- author
- Forsman, Jan LU ; Woodward, Clifford E and Trulsson, Martin LU
- organization
- publishing date
- 2011
- 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 (ACS)
- external identifiers
-
- wos:000289697300006
- pmid:21456566
- scopus:79955410943
- pmid:21456566
- ISSN
- 1520-5207
- DOI
- 10.1021/jp111747w
- 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
- 9bcbc215-6656-4d5c-8cc9-f59a7473927e (old id 1937659)
- date added to LUP
- 2016-04-01 14:03:51
- date last changed
- 2023-01-04 02:23:30
@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 (ACS)}}, 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}}, doi = {{10.1021/jp111747w}}, volume = {{115}}, year = {{2011}}, }