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题名: Dual Ionic and Organic Nature of Ionic Liquids
作者: Shi, R ;  Wang, YT
刊名: SCIENTIFIC REPORTS
出版日期: 2016
卷号: 6, 页码:19644
学科分类: Science & Technology - Other Topics
DOI: http://dx.doi.org/10.1038/srep19644
通讯作者: Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
文章类型: Article
英文摘要: Inherited the advantages of inorganic salts and organic solvents, ionic liquids (ILs) exhibit many superior properties allowing them promising green solvents for the future. Although it has been widely acknowledged that the unique features of ILs originate from their dual ionic and organic nature, its microscopic physical origin still remains blurry. In this work, by comparing the ion/molecule cage structures obtained from molecular dynamics simulations for seven prototypic liquids-a molten inorganic salt, four ILs, a strongly polar organic solvent, and a weakly polar organic solvent, we have revealed that the depth of the cage energy landscape characterizes the ionic nature of ILs, whereas the slope and curvature of its mimimum determine the organic nature of ILs. This finding advances our understanding of ILs and thus will help their efficient utilization as well as the systematic design of novel functionalized ILs.
类目[WOS]: Multidisciplinary Sciences
关键词[WOS]: MOLECULAR-DYNAMICS SIMULATION ;  SELF-DIFFUSION COEFFICIENTS ;  SURFACE-TENSION ;  ALKALI-HALIDES ;  PHYSICOCHEMICAL PROPERTIES ;  SPATIAL HETEROGENEITY ;  ULTRAFAST DYNAMICS ;  ELECTRIC-FIELDS ;  VAPOR-PRESSURES ;  MOLTEN-SALTS
收录类别: SCI
项目资助者: National Basic Research Program of China (973 program) [2013CB932804] ;  National Natural Science Foundation of China [11274319, 11421063]
语种: 英语
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/21801
Appears in Collections:理论物理所2016年知识产出_期刊论文

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Recommended Citation:
Shi, R,Wang, YT. Dual Ionic and Organic Nature of Ionic Liquids[J]. SCIENTIFIC REPORTS,2016,6:19644.
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