Effect of concentration on surfactant micelle shapes - A molecular dynamics study
文献类型：期刊论文
| 作者 | Gao, J; Ge, W; Li, JH |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 2005-10-01 |
| 卷号 | 48期号:5页码:470-475 |
| 关键词 | surfactant MD simulation sodium dodecylbenzenesulfonate micelle shape |
| ISSN号 | 1006-9291 |
| 其他题名 | Sci. China Ser. B-Chem. |
| 中文摘要 | Many aspects of the behavior of surfactants have not been well understood due to the coupling of many different mechanisms. Computer simulation is, therefore, attractive in the sense that it can explore the effect of different mechanisms separately. In this paper, the shapes, structures and sizes of sodium dodecylbenzenesulfonate (SDBS) micelles under different concentrations in an oil/water mixture were studied via molecular dynamics (MID) simulations using a simplified atomistic model which basically maintains the hydrophile and lipophile properties of the surfactant molecules. Above the critical micellar concentration (cmc), surfactant molecules aggregate spontaneously to form a wide variety of assemblies, from spherical to rodlike, wormlike and bilayer micelles. Changes in their ratios of the principle moments of inertia (g(1)/g(3), g(2)/g(3)) indicated the transition of micelle shapes at different concentrations. The aggregation number of micelle is found to have a power-law dependence on surfactant concentration. |
| 英文摘要 | Many aspects of the behavior of surfactants have not been well understood due to the coupling of many different mechanisms. Computer simulation is, therefore, attractive in the sense that it can explore the effect of different mechanisms separately. In this paper, the shapes, structures and sizes of sodium dodecylbenzenesulfonate (SDBS) micelles under different concentrations in an oil/water mixture were studied via molecular dynamics (MID) simulations using a simplified atomistic model which basically maintains the hydrophile and lipophile properties of the surfactant molecules. Above the critical micellar concentration (cmc), surfactant molecules aggregate spontaneously to form a wide variety of assemblies, from spherical to rodlike, wormlike and bilayer micelles. Changes in their ratios of the principle moments of inertia (g(1)/g(3), g(2)/g(3)) indicated the transition of micelle shapes at different concentrations. The aggregation number of micelle is found to have a power-law dependence on surfactant concentration. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | SODIUM DODECYL-SULFATE ; COMPUTER-SIMULATIONS ; WATER ; GROWTH |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000233366500012 |
| 公开日期 | 2013-10-25 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/4151]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, Multiphase React Lab, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100085, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gao, J,Ge, W,Li, JH. Effect of concentration on surfactant micelle shapes - A molecular dynamics study[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2005,48(5):470-475. |
| APA | Gao, J,Ge, W,&Li, JH.(2005).Effect of concentration on surfactant micelle shapes - A molecular dynamics study.SCIENCE IN CHINA SERIES B-CHEMISTRY,48(5),470-475. |
| MLA | Gao, J,et al."Effect of concentration on surfactant micelle shapes - A molecular dynamics study".SCIENCE IN CHINA SERIES B-CHEMISTRY 48.5(2005):470-475. |
入库方式： OAI收割
来源：过程工程研究所
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