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Shi, R; Wang, YT
Dual Ionic and Organic Nature of Ionic Liquids
Source PublicationSCIENTIFIC REPORTS
Language英语
KeywordMOLECULAR-DYNAMICS SIMULATION SELF-DIFFUSION COEFFICIENTS SURFACE-TENSION ALKALI-HALIDES PHYSICOCHEMICAL PROPERTIES SPATIAL HETEROGENEITY ULTRAFAST DYNAMICS ELECTRIC-FIELDS VAPOR-PRESSURES MOLTEN-SALTS
AbstractInherited 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.
2016
Volume6Pages:19644
Subject AreaScience & Technology - Other Topics
DOIhttp://dx.doi.org/10.1038/srep19644
Indexed BySCI
Funding OrganizationNational Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11274319, 11421063]
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/23108
Collection理论物理所科研产出_SCI论文
AffiliationChinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Shi, R,Wang, YT. Dual Ionic and Organic Nature of Ionic Liquids[J]. SCIENTIFIC REPORTS,2016,6:19644.
APA Shi, R,&Wang, YT.(2016).Dual Ionic and Organic Nature of Ionic Liquids.SCIENTIFIC REPORTS,6,19644.
MLA Shi, R,et al."Dual Ionic and Organic Nature of Ionic Liquids".SCIENTIFIC REPORTS 6(2016):19644.
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