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2620526 
Journal Article 
The micro-properties of [hmpy+] [Tf2N-] Ionic liquid: a simulation study 
Guo, YC; Chen, JW; Liu, HL; Liu, WW; Lu, HY; Zhu, XB; Gu, B 
2010 
339-343 
WOS:000279588900066 
The micro-properties of [hmpy+][Tf2N-] ionic liquid at room temperature (300K) and 1atm pressure are studied with molecular dynamic simulations. The radial distribution functions and three-dimensional distributions between different particle pairs are shown for the view of structural properties, while the mean square displacements of different ions, which are proofs of its liquid state, are also studied in detail. Our results are consistent with some experimental data. This work provides the basis for our theoretical study on the capability of ionic liquid as promising catcher and remover of pollutions in atmosphere. 
[hmpy+][Tf2N-] ionic liquids; molecular dynamic simulation; microscopic properties; atmospheric contaminants remover and catcher