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Photo Jan Forsman

Jan Forsman

Professor

Photo Jan Forsman

A classical density functional theory of ionic liquids.

Author

  • Jan Forsman
  • Clifford E Woodward
  • Martin Trulsson

Summary, in English

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.

Department/s

  • Computational Chemistry
  • eSSENCE: The e-Science Collaboration

Publishing year

2011

Language

English

Pages

4606-4612

Publication/Series

The Journal of Physical Chemistry Part B

Volume

115

Issue

16

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Theoretical Chemistry (including Computational Chemistry)

Status

Published

ISBN/ISSN/Other

  • ISSN: 1520-5207