Unilamellar Vesicle Formation and Microscopic Structure of Ionic Liquids in Aqueous Solutions

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	Unilamellar Vesicle Formation and Microscopic Structure of Ionic Liquids in Aqueous Solutions
	Liu, Xiaomin 1; Zhou, Guohui 2; Huo, Feng 1; Wang, Jianji 3; Zhang, Suojiang 1
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2016-01-14
卷号	120 期号:1 页码:659-667
ISSN号	1932-7447
英文摘要	Imidazolium-based ionic liquid [Cnmim]Br (n = 10, 12, 14) without any additives in aqueous solutions could form unilamellar vesicles was first observed by TEM recently. As molecular aggregation is a complex phenomenon which is difficult to study in detail experimentally, we performed molecular simulations for [C(n)mim]Br (n = 10, 12, 14) aqueous solutions. The entire process of spontaneous aggregation for [C(12)mim]Br into small unilamellar vesicle was elucidated. Radial distribution functions reveal that the strong spatial correlation between cation and anion still exists in the presence of a large amount of water. The inner layer of vesicle is packed denser than the outer layer by analyzing the radial density distribution. Furthermore, anions distribution provides the direct evidence for very little anions being dissolved in the water and verifies the experimental speculation. By analyzing hydrogen bond number and coordination number in the solution, it is implied that binding between counterions enhanced with increasing IL concentration, and the distribution density of ions in vesicle is close to the neat system. Moreover, it is observed that aggregation is facilitated with increasing the alkyl chains by comparing three aqueous solution systems. Additionally, spatial correlation between chain terminal C becomes stronger with increasing the alkyl chain length.
WOS标题词	Science & Technology ; Physical Sciences ; Technology
类目[WOS]	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
研究领域[WOS]	Chemistry ; Science & Technology - Other Topics ; Materials Science
关键词[WOS]	MOLECULAR-DYNAMICS SIMULATION ; MICELLE FORMATION ; NANOSTRUCTURAL ORGANIZATION ; LIQUID/WATER MIXTURES ; COMPUTER-SIMULATIONS ; AGGREGATION BEHAVIOR ; CATIONIC SURFACTANT ; CHAIN-LENGTH ; WATER ; HETEROGENEITY
收录类别	SCI
语种	英语
WOS记录号	WOS:000368562200078
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/20593]
专题	过程工程研究所_多相复杂系统国家重点实验室
作者单位	1.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, State Key Lab Multiphase Complex Syst, Key Lab Green Proc & Engn,Inst Proc Engn, Beijing 100190, Peoples R China 2.Beijing Salien Co, Beijing 100083, Peoples R China 3.Henan Normal Univ, Sch Chem & Environm Sci, Key Lab Green Chem Media & React, Minist Educ, Xinxiang 453007, Henan, Peoples R China
推荐引用方式 GB/T 7714	Liu, Xiaomin,Zhou, Guohui,Huo, Feng,et al. Unilamellar Vesicle Formation and Microscopic Structure of Ionic Liquids in Aqueous Solutions[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2016,120(1):659-667.
APA	Liu, Xiaomin,Zhou, Guohui,Huo, Feng,Wang, Jianji,&Zhang, Suojiang.(2016).Unilamellar Vesicle Formation and Microscopic Structure of Ionic Liquids in Aqueous Solutions.JOURNAL OF PHYSICAL CHEMISTRY C,120(1),659-667.
MLA	Liu, Xiaomin,et al."Unilamellar Vesicle Formation and Microscopic Structure of Ionic Liquids in Aqueous Solutions".JOURNAL OF PHYSICAL CHEMISTRY C 120.1(2016):659-667.