A molecular dynamics study on two promising green surfactant micelles of choline dodecyl sulfate and laurate
文献类型：期刊论文
| 作者 | Wei, Yaoyao1; Wang, Honglei2; Liu, Guokui1; Wang, Zhongni3; Yuan, Shiling1 |
| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2016 |
| 卷号 | 6期号:87页码:84090-84097 |
| 英文摘要 | Two green surfactants, made by dodecyl sulfate (DS-) and laurate (C12) with equimolar choline (Ch(+)) components as counterions, are studied through all-atom molecular dynamics simulations. Ion-pairing between head groups and choline ions is directly analysed at the molecular level, including counter-ion binding patterns, intensity and stability. Six binding patterns exist in these two micelles. Differently, hydroxyl groups of choline in ChDS micelles have more potential to penetrate into the micelle while they are more likely to be exposed to the aqueous solution in ChC micelles. Properties of the micelle surface are also studied, giving an intuitive description of charge distribution on the micelle surface. Further, we perform a study of one pyrene (Py) molecule solubilized into the micelle to understand the relation between properties and applications. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | FATTY-ACIDS ; CARBOXYLATE SURFACTANTS ; PHASE-BEHAVIOR ; FORCE-FIELD ; SIMULATIONS ; WATER ; IONS ; SOLUBILIZATION ; AGGREGATION ; SOLVATION |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000384129300067 |
| 源URL | [http://ir.qibebt.ac.cn/handle/337004/9077]  |
| 专题 | 青岛生物能源与过程研究所_单细胞中心 |
| 作者单位 | 1.Shandong Univ, Key Lab Colloid & Interface Chem, Jinan 250100, Peoples R China 2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao 266101, Peoples R China 3.Shandong Normal Univ, Shandong Univ, Coll Chem Chem Engn & Mat Sci, Collaborat Innovat Ctr Funct Probes Chem Imaging, Jinan 250014, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wei, Yaoyao,Wang, Honglei,Liu, Guokui,et al. A molecular dynamics study on two promising green surfactant micelles of choline dodecyl sulfate and laurate[J]. RSC ADVANCES,2016,6(87):84090-84097. |
| APA | Wei, Yaoyao,Wang, Honglei,Liu, Guokui,Wang, Zhongni,&Yuan, Shiling.(2016).A molecular dynamics study on two promising green surfactant micelles of choline dodecyl sulfate and laurate.RSC ADVANCES,6(87),84090-84097. |
| MLA | Wei, Yaoyao,et al."A molecular dynamics study on two promising green surfactant micelles of choline dodecyl sulfate and laurate".RSC ADVANCES 6.87(2016):84090-84097. |
入库方式： OAI收割
来源：青岛生物能源与过程研究所
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