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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
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume120Issue:1Pages:659-667
AbstractImidazolium-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.
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1021/acs.jpcc.5b08977
Indexed BySCI
Language英语
WOS KeywordMOLECULAR-DYNAMICS SIMULATION ; MICELLE FORMATION ; NANOSTRUCTURAL ORGANIZATION ; LIQUID/WATER MIXTURES ; COMPUTER-SIMULATIONS ; AGGREGATION BEHAVIOR ; CATIONIC SURFACTANT ; CHAIN-LENGTH ; WATER ; HETEROGENEITY
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
Funding OrganizationNational 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 IDWOS:000368562200078
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/20593
Collection多相复杂系统国家重点实验室
Affiliation1.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
Recommended Citation
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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