A classical density functional theory of ionic liquids.

Jan Forsman, Clifford E Woodward, Martin Trulsson

Research output: Contribution to journalArticlepeer-review

59 Citations (SciVal)

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.
Original languageEnglish
Pages (from-to)4606-4612
JournalThe Journal of Physical Chemistry Part B
Volume115
Issue number16
DOIs
Publication statusPublished - 2011

Bibliographical note

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)

Subject classification (UKÄ)

  • Theoretical Chemistry

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