Symmetry Versus Asymmetry Game in Vaporization Enthalpies of Imidazolium-Based Ionic Liquids

Sergey P. Verevkin,Dzmitry H. Zaitsau,Ruslan N. Nagrimanov,Yong Zhang,Edward J. Maginn,Annegret Stark

JOURNAL OF MOLECULAR LIQUIDS（2024）

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摘要

•Vaporization enthalpies of symmetrical [CnCnIm][NTf2] measured and MD calculated.•Experimental vaporization enthalpies of symmetrical and asymmetrical ILs evaluated.•Vaporization enthalpies of symmetrical ILs lower than those of asymmetrical ILs.•Energetic differences attributed to the intensity of dispersion interactions.

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关键词

Ionic liquids,Enthalpy of vaporization,Molecular dynamic simulations, dispersion interactions

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