Dual Ionic and Organic Nature of Ionic Liquids
Shi, R; Wang, YT; 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.
2016
发表期刊SCIENTIFIC REPORTS
卷号6期号:6页码:19644
文章类型Article
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.
合作性质国内
学科领域Science & Technology - Other Topics
资助者National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11274319, 11421063] ; National Natural Science Foundation of China [11274319, 11421063] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11274319, 11421063] ; National Natural Science Foundation of China [11274319, 11421063]
DOIhttp://dx.doi.org/10.1038/srep19644
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
语种英语
资助者National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11274319, 11421063] ; National Natural Science Foundation of China [11274319, 11421063] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11274319, 11421063] ; National Natural Science Foundation of China [11274319, 11421063]
WOS类目Multidisciplinary Sciences
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/21244
专题理论物理所计算集群成果_计算集群论文-标明致谢
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.
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Shi, R,Wang, YT,Wang, YT . Dual Ionic and Organic Nature of Ionic Liquids[J]. SCIENTIFIC REPORTS,2016,6(6):19644.
APA Shi, R,Wang, YT,&Wang, YT .(2016).Dual Ionic and Organic Nature of Ionic Liquids.SCIENTIFIC REPORTS,6(6),19644.
MLA Shi, R,et al."Dual Ionic and Organic Nature of Ionic Liquids".SCIENTIFIC REPORTS 6.6(2016):19644.
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