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Journal of Dispersion Science and Technology Volume 38, 2017 - Issue 5
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Original Articles

Model of cylindrical micelles with different endcaps

X. JiaSchool of Municipal and Environmental Engineering, Shandong Jianzhu University, Jinan, China;Co-Innovation Center of Green Building, Shandong, Jinan, ChinaCorrespondence[email protected]
,
S. YuInstitute of Marine Materials Science and Engineering, Shanghai Maritime University, Shanghai, China
,
Y. MaSchool of Municipal and Environmental Engineering, Shandong Jianzhu University, Jinan, China
,
X. LiSchool of Municipal and Environmental Engineering, Shandong Jianzhu University, Jinan, China
,
W. XuSchool of Municipal and Environmental Engineering, Shandong Jianzhu University, Jinan, China
&
J. LiuSchool of Municipal and Environmental Engineering, Shandong Jianzhu University, Jinan, China
Pages 621-625 | Received 12 Apr 2016, Accepted 28 Apr 2016, Published online: 11 May 2016
 
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ABSTRACT

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.

GRAPHICAL ABSTRACT

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