Coarse-Grained Molecular Dynamics Simulation of Ammonium Surfactant Self-Assemblies: Micelles and Vesicles

doi:10.1021/jp906055d

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	Coarse-Grained Molecular Dynamics Simulation of Ammonium Surfactant Self-Assemblies: Micelles and Vesicles
	Wu, Rongliang 1; Deng, Manli 2; Kong, Bin 1; Yang, Xiaozhen 1
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	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
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000271428200023
内容类型	期刊论文
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.