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Unilamellar Vesicle Formation and Microscopic Structure of Ionic Liquids in Aqueous Solutions
Liu, Xiaomin1; Zhou, Guohui2; Huo, Feng1; Wang, Jianji3; Zhang, Suojiang1
2016-01-14
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号120期号:1页码:659-667
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.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
DOI10.1021/acs.jpcc.5b08977
收录类别SCI
语种英语
关键词[WOS]MOLECULAR-DYNAMICS SIMULATION ; MICELLE FORMATION ; NANOSTRUCTURAL ORGANIZATION ; LIQUID/WATER MIXTURES ; COMPUTER-SIMULATIONS ; AGGREGATION BEHAVIOR ; CATIONIC SURFACTANT ; CHAIN-LENGTH ; WATER ; HETEROGENEITY
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
项目资助者National Natural Science Foundation of China(91434111 ; National Natural Science Fund for Distinguished Young Scholars(21425625) ; Center for Mesoscience, Institute of Process Engineering, Chinese Academy of Sciences(COM2015A003) ; State Key Laboratory of Multiphase Complex Systems, IPE, CAS(MPCS-2015-A-05) ; Beijing Natural Science Foundation(2142029) ; 91434203 ; 21276255)
WOS记录号WOS:000368562200078
引用统计
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/20593
专题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
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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.
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