ICCAS OpenIR
Coarse-Grained Molecular Dynamics Simulation of Ammonium Surfactant Self-Assemblies: Micelles and Vesicles
Wu, Rongliang1; Deng, Manli2; Kong, Bin1; Yang, Xiaozhen1
2009-11-12
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
ISSN1520-6106
Volume113Issue:45Pages:15010-15016
AbstractLarge-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.
DOI10.1021/jp906055d
Indexed BySCI
Language英语
WOS IDWOS:000271428200023
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:37[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/67122
Collection中国科学院化学研究所
Corresponding AuthorYang, Xiaozhen
Affiliation1.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
Recommended Citation
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.
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