Model of cylindrical micelles with different endcaps

被引：2
|
作者：
Jia, X. [1 ,2 ]
Yu, S. [3 ]
Ma, Y. [1 ]
Li, X. [1 ]
Xu, W. [1 ]
Liu, J. [1 ]
机构：
[1] Shandong Jianzhu Univ, Sch Municipal & Environm Engn, Jinan, Peoples R China
[2] Coinnovat Ctr Green Bldg, Jinan, Shandong, Peoples R China
[3] Shanghai Maritime Univ, Inst Marine Mat Sci & Engn, Shanghai, Peoples R China
来源：
JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY | 2017年 / 38卷 / 05期
基金：
中国国家自然科学基金;
关键词：
Critical packing parameter; cylindrical (rod-like) micelle; molecular dynamics; simulation; MOLECULAR-DYNAMICS SIMULATIONS; INITIAL CONFIGURATIONS; FORCE-FIELD; SYSTEMS; SPHERE; TRANSITIONS; VESICLES; BILAYERS; SHAPE;
D O I：
10.1080/01932691.2016.1185016
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The system of alcohol (C8OH) and hexadecyl trimethyl ammonium bromide (CTAB) was studied by molecular dynamics simulation, and the cylindrical (or rod-like) micelles with different endcaps were obtained. The simulation results presented the different terminal structures of the cylindrical (rod-like) micelles. According to the critical packing parameters of the micellar stability theory, the microscopic structures of cylindrical (or rod-like) micelles with different endcaps were analyzed. The shorter rod-like micelle was constituted by the cylindrical body and two swelling spherical endcaps, while the longer cylindrical (or rod-like) micelle had two spherical crown endcaps less than the hemisphere. The models of the cylindrical (rod-like) micelles were presented in detail based on the simulation results and the micellar stability theory. [GRAPHICS]
引用
收藏
页码：621 / 625
页数：5
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