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题名: Hydrogen-bond rich ionic liquids with hydroxyl cationic tails
作者: Deng, L ;  Shi, R ;  Wang, YT ;  Ou-Yang, ZC
刊名: CHEMICAL PHYSICS LETTERS
出版日期: 2013
卷号: 560, 期号:-, 页码:32-36
关键词: MOLECULAR-DYNAMICS SIMULATION ;  ALKYL CHAIN-LENGTH ;  NANOSTRUCTURAL ORGANIZATION ;  SPATIAL HETEROGENEITY ;  LIQUID/WATER MIXTURES ;  COMPUTER-SIMULATIONS ;  WATER ;  TRIS(PENTAFLUOROETHYL)TRIFLUOROPHOSPHATE ;  AGGREGATION ;  ABSORPTION
学科分类: Physics
通讯作者: Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 E Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
部门归属: [Deng, Li; Shi, Rui; Wang, Yanting; Ou-Yang, Zhong-Can] Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China
英文摘要: To investigate if the amphiphilic feature exhibited in ionic liquids (ILs) with nonpolar cationic tails still exists in ILs with polar tails, by performing molecular dynamics simulations for 1-(8-hydroxyoctyl)-3-methyl- imidazolium nitrate (C-OH) and 1-octyl-3-methyl-imidazolium nitrate (C-8), we found that, in C-OH, cationic tail groups can no longer aggregate to form separated nonpolar tail domains, instead hydroxyl groups form a rich number of hydrogen bonds with other groups, indicating that the hydroxyl substituent changes the IL system from an amphiphilic liquid to a polar liquid. Due to the large amount of hydrogen bonds, C-OH has slower dynamics than C-8. (c) 2013 Elsevier B.V. All rights reserved.
资助者: National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS)
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000315160500006
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/15413
Appears in Collections:理论物理所2013年知识产出 _期刊论文

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Recommended Citation:
Deng, L,Shi, R,Wang, YT,et al. Hydrogen-bond rich ionic liquids with hydroxyl cationic tails[J]. CHEMICAL PHYSICS LETTERS,2013,560(-):32-36.
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