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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 Publication | SOFT MATTER
 |
| ISSN | 1744-683X |
| Volume | 16Issue:10Pages:2605-2610 |
| Abstract | Unilamellar 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. |
| DOI | 10.1039/c9sm02339a |
| Language | 英语 |
| WOS Keyword | AGGREGATION BEHAVIOR ; AQUEOUS-SOLUTION ; CHLORIDE ; MICELLE ; SOLUBILIZATION ; NANOREACTORS ; DELIVERY |
| Funding Project | National 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 Area | Chemistry ; Materials Science ; Physics ; Polymer Science |
| WOS Subject | Chemistry, Physical ; Materials Science, Multidisciplinary ; Physics, Multidisciplinary ; Polymer Science |
| Funding Organization | National 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 ID | WOS:000519648300014 |
| Publisher | ROYAL SOC CHEMISTRY |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/39882 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Liu, Xiaomin; Zhang, Suojiang |
| Affiliation | 1.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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