4.5 Article

A Classical Density Functional Theory of Ionic Liquids

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JOURNAL OF PHYSICAL CHEMISTRY B
卷 115, 期 16, 页码 4606-4612

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AMER CHEMICAL SOC
DOI: 10.1021/jp111747w

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  1. Swedish Research Council

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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.

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