Coarse-Grained Molecular Dynamics Simulation of Ammonium Surfactant Self-Assemblies: Micelles and Vesicles
文献类型：期刊论文
| 作者 | Wu, Rongliang1; Deng, Manli2; Kong, Bin1; Yang, Xiaozhen1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2009-11-12 |
| 卷号 | 113期号:45页码:15010-15016 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/jp906055d |
| 英文摘要 | Large-scale coarse-grained molecular dynamics simulations have been performed to investigate the self-assemblies of dodecyltrimethylammonium bromide (DTAB) and gemini surfactants 12-S-12 (S = 6, 14, and 20). At the concentrations investigated, the surfactants experience fast aggregation of monomers into oligomers until the cluster numbers reach maxima. For DTAB, larger aggregates grow at the expense of monomers, but for gemini surfactants, the growth of clusters is accomplished via the merging of oligomers. In the final stage, spherical and worm-like micelles coexist in the systems of DTAB and 12-6-12, and in gemini systems with longer spacers, namely, 12-14-12 and 12-20-12, well-defined vesicles are formed through expansion and curving of bilayer-like structures. Through detailed analysis of the vesicle structures, many of the 12-20-12 surfactants are found to have their headgroups at different surfaces, with the spacers bridging the inner and outer surface of the vesicle. |
| 语种 | 英语 |
| WOS记录号 | WOS:000271428200023 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/67121]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yang, Xiaozhen |
| 作者单位 | 1.Chinese Acad Sci, BNLMS, Joint Lab Polymer Sci & Mat, Inst Chem, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Key Lab Colloid & Interface Sci, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Rongliang,Deng, Manli,Kong, Bin,et al. Coarse-Grained Molecular Dynamics Simulation of Ammonium Surfactant Self-Assemblies: Micelles and Vesicles[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2009,113(45):15010-15016. |
| APA | Wu, Rongliang,Deng, Manli,Kong, Bin,&Yang, Xiaozhen.(2009).Coarse-Grained Molecular Dynamics Simulation of Ammonium Surfactant Self-Assemblies: Micelles and Vesicles.JOURNAL OF PHYSICAL CHEMISTRY B,113(45),15010-15016. |
| MLA | Wu, Rongliang,et al."Coarse-Grained Molecular Dynamics Simulation of Ammonium Surfactant Self-Assemblies: Micelles and Vesicles".JOURNAL OF PHYSICAL CHEMISTRY B 113.45(2009):15010-15016. |
入库方式： OAI收割
来源：化学研究所
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