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题名: Communication: Probing the existence of partially arrested states in ionic liquids
作者: Ramirez-Gonzalez, PE ;  Sanchez-Diaz, LE ;  Medina-Noyola, M ;  Wang, YT
刊名: JOURNAL OF CHEMICAL PHYSICS
出版日期: 2016
卷号: 145, 期号:19, 页码:191101
学科分类: Chemistry; Physics
DOI: http://dx.doi.org/10.1063/1.4967518
通讯作者: Ramirez-Gonzalez, PE (reprint author), Univ Autonoma San Luis Potosi, CONACYT Inst Fis Manuel Sandoval Vallarta, Alvaro Obregon 64, San Luis Potosi 78000, Slp, Mexico.
文章类型: Article
英文摘要: The recent predictions of the self-consistent generalized Langevin equation theory, describing the existence of unusual partially arrested states in the context of ionic liquids, were probed using all-atom molecular dynamics simulations of a room-temperature ionic liquid. We have found a slower diffusion of the smaller anions compared with the large cations for a wide range of temperatures. The arrest mechanism consists on the formation of a strongly repulsive glass by the anions, stabilized by the long range electrostatic potential. The diffusion of the less repulsive cations occurs through the holes left by the small particles. All of our observations in the simulated system coincide with the theoretical picture. Published by AIP Publishing.
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
关键词[WOS]: MOLECULAR-DYNAMICS ;  GLASS-TRANSITION ;  1-ALKYL-3-METHYLIMIDAZOLIUM CATIONS ;  FORCE-FIELD ;  TEMPERATURE ;  SIMULATION ;  THERMODYNAMICS ;  VISCOSITY
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] ;  CONACYT [1631, CB-2015-01, 257636]
语种: 英语
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/21480
Appears in Collections:理论物理所2016年知识产出_期刊论文

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Recommended Citation:
Ramirez-Gonzalez, PE,Sanchez-Diaz, LE,Medina-Noyola, M,et al. Communication: Probing the existence of partially arrested states in ionic liquids[J]. JOURNAL OF CHEMICAL PHYSICS,2016,145(19):191101.
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