Molecular dynamics simulations of temperature-dependent structures and dynamics of ethylammonium nitrate protic ionic liquid: The role of hydrogen bond

Chemical Physics(2016)

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摘要
•Hydrogen bonds play an essential role in determining dynamics properties of protic ionic liquids.•Temperature has an important influence on dynamics properties rather than structures.•Both anions and cations are found to display an obvious sub-diffusive behavior regardless of the temperature.
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关键词
Protic ionic liquid,Hydrogen bond,Diffusion,Ion-pair dissociation,Molecular dynamics simulation
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