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

收藏

页码：4606 / 4612

页数：7

相关论文

共 35 条

[1] Measurements of differential capacitance in room temperature ionic liquid at mercury, glassy carbon and gold electrode interfaces [J].

Alam, Muhammad Tanzirul ;

Islam, Md. Mominul ;

Okajima, Takeyoshi ;

Ohsaka, Takeo .

ELECTROCHEMISTRY COMMUNICATIONS, 2007, 9 (09) :2370-2374

[2] A RISM approach to the liquid structure and solvation properties of ionic liquids [J].

Bruzzone, Samantha ;

Malvaldi, Marco ;

Chiappe, Cinzia .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2007, 9 (41) :5576-5581

[3] Solvation thermodynamics of alkali and halide ions in ionic liquids through integral equations [J].

Bruzzone, Samantha ;

Malvaldi, Marco ;

Chiappe, Cinzia .

JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (07)

[4] Dielectric response of imidazolium-based room-temperature ionic liquids [J].

Daguenet, Corinne ;

Dyson, Paul J. ;

Krossing, Ingo ;

Oleinikova, Alla ;

Slattery, John ;

Wakai, Chihiro ;

Weingaertner, Hermann .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (25) :12682-12688

[5] Double layer in ionic liquids: The nature of the camel shape of capacitance [J].

Fedorov, M. V. ;

Georgi, N. ;

Kornyshev, A. A. .

ELECTROCHEMISTRY COMMUNICATIONS, 2010, 12 (02) :296-299

[6] Ionic liquid near a charged wall: Structure and capacitance of electrical double layer [J].

Fedorov, Maxim V. ;

Kornyshev, Alexei A. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (38) :11868-11872

[7] An improved density functional description of hard sphere polymer fluids at low density [J].

Forsman, J ;

Woodward, CE .

JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (04) :1889-1892

[8] A simple correlation-corrected Poisson-Boltzmann theory [J].

Forsman, J .

JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (26) :9236-9245

[9] Evaluating the accuracy of a density functional theory of polymer solutions with additive hard sphere diameters [J].

Forsman, J ;

Woodward, CE .

JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (01) :506-510

[10] Density functional study of surface forces in athermal polymer solutions with additive hard sphere interactions: Solvent effects, capillary condensation, and capillary-induced surface transitions [J].

Forsman, J ;

Woodward, CE ;

Freasier, BC .

JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (04) :1915-1926

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