A Classical Density Functional Theory of Ionic Liquids

被引：66

作者：

Forsman, Jan ^{[1
]}

Woodward, Clifford E. ^{[2
]}

Trulsson, Martin ^{[1
]}

机构：

[1] Chem Ctr Lund, S-22100 Lund, Sweden

[2] Univ New S Wales, Univ Coll, Sch Phys Environm & Phys Sci, Adfa Canberra, ACT 2600, Australia

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2011年 / 115卷 / 16期

基金：

瑞典研究理事会;

关键词：

GENERALIZED VANDERWAALS THEORY; ELECTRICAL DOUBLE-LAYER; DIFFERENTIAL CAPACITANCE; POLYMER-SOLUTIONS; MODEL; MIXTURES; SIZE;

D O I：

10.1021/jp111747w

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：4606 / 4612

页数：7

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