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Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation
Jiang, Kun1,2; Liu, Xiaomin1; He, Hongyan2; Wang, Jianji3; Zhang, Suojiang2
2020-03-14
Source PublicationSOFT MATTER
ISSN1744-683X
Volume16Issue:10Pages:2605-2610
AbstractUnilamellar vesicles in solution could open up new horizons for reaction and material delivery, but the formation mechanism especially for the permeability of the small molecule through the vesicle membrane is still unknown. In this study, the formation and permeability of the unilamellar vesicles formed by the ionic liquid 1-dodecyl-3-methylimidazolium salicylate ([C(12)mim][Sal]) have been investigated by molecular dynamics simulation. Starting from a random distribution of ionic liquids, the entire process of vesicle formation could be observed on a nanosecond time scale, during which planar and cup-like structures are formed at the intermediate stage. Energy analysis reveals that the electrostatic interactions between cations and anions play a dominant role in forming and stabilizing the vesicle. Radial density distribution functions indicate that the final stable vesicle is a spherical bilayer structure. Besides, it was found that the structure of vesicles is maintained with the increase of temperature, while the water molecules in the vesicles could be completely exchanged quickly. These results suggest that vesicles may be beneficial for the enrichment or release of molecules.
DOI10.1039/c9sm02339a
Language英语
WOS KeywordAGGREGATION BEHAVIOR ; AQUEOUS-SOLUTION ; CHLORIDE ; MICELLE ; SOLUBILIZATION ; NANOREACTORS ; DELIVERY
Funding ProjectNational Science Fund for Excellent Young Scholars[21722610] ; Taishan Scholars Program of Shandong Province[tsqn201909091] ; Major Program of National Natural Science Foundation of China[21890762] ; Key Research Program of Frontier Sciences, CAS[QYZDY-SSW-JSC011]
WOS Research AreaChemistry ; Materials Science ; Physics ; Polymer Science
WOS SubjectChemistry, Physical ; Materials Science, Multidisciplinary ; Physics, Multidisciplinary ; Polymer Science
Funding OrganizationNational Science Fund for Excellent Young Scholars ; Taishan Scholars Program of Shandong Province ; Major Program of National Natural Science Foundation of China ; Key Research Program of Frontier Sciences, CAS
WOS IDWOS:000519648300014
PublisherROYAL SOC CHEMISTRY
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/39882
Collection中国科学院过程工程研究所
Corresponding AuthorLiu, Xiaomin; Zhang, Suojiang
Affiliation1.Qingdao Univ, Sch Chem & Chem Engn, Qingdao 266071, Shandong, Peoples R China
2.Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc, Inst Proc Engn,Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
3.Henan Normal Univ, Key Lab Green Chem Media & React, Sch Chem & Chem Engn, Collaborat Innovat Ctr Henan Prov Green Mfg Fine, Xinxiang 453007, Henan, Peoples R China
Recommended Citation
GB/T 7714
Jiang, Kun,Liu, Xiaomin,He, Hongyan,et al. Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation[J]. SOFT MATTER,2020,16(10):2605-2610.
APA Jiang, Kun,Liu, Xiaomin,He, Hongyan,Wang, Jianji,&Zhang, Suojiang.(2020).Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation.SOFT MATTER,16(10),2605-2610.
MLA Jiang, Kun,et al."Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation".SOFT MATTER 16.10(2020):2605-2610.
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