ITP OpenIR  > 理论物理所2013年知识产出
Hydrogen-bond rich ionic liquids with hydroxyl cationic tails
Deng, L; Shi, R; Wang, YT; Ou-Yang, ZC; 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.
2013
发表期刊CHEMICAL PHYSICS LETTERS
ISSN0009-2614
卷号560期号:-页码:32-36
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.
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
关键词Molecular-dynamics Simulation Alkyl Chain-length Nanostructural Organization Spatial Heterogeneity Liquid/water Mixtures Computer-simulations Water Tris(Pentafluoroethyl)Trifluorophosphate Aggregation Absorption
学科领域Physics
资助者National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS)
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收录类别SCI
语种英语
资助者National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS)
WOS记录号WOS:000315160500006
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文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/15413
专题理论物理所2013年知识产出
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.
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GB/T 7714
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.
APA Deng, L,Shi, R,Wang, YT,Ou-Yang, ZC,&Wang, YT .(2013).Hydrogen-bond rich ionic liquids with hydroxyl cationic tails.CHEMICAL PHYSICS LETTERS,560(-),32-36.
MLA Deng, L,et al."Hydrogen-bond rich ionic liquids with hydroxyl cationic tails".CHEMICAL PHYSICS LETTERS 560.-(2013):32-36.
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