The micro-properties of hmpy+ Tf2N- Ionic liquid: a simulation study

摘要：

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.

关键词： hmpy+Tf2N- ionic liquids molecular dynamic simulation microscopic properties atmospheric contaminants remover and catcher

作者: Guo Y.C Chen J.W Liu H.L Liu W.W Lu H.Y Zhu X.B Gu B

作者单位: College of Math and Physics, Nanjing University of Information Science and Technology, Nanjing 21004 School of Atmospheric Physics, Nanjing University of Information Science and Technology, Nanjing 210

会议类型: 国际会议

会议名称: 2010 International Conference on Application of Mathematics and Physics(2010国际数理科学与气象学术研讨会暨2010空间天气学研讨会 AMP2010)

会议地点: 南京

会议语种:英文

页码: 339-343

在线出版日期: 2010-05-08（万方平台首次上网日期，不代表论文的发表时间）