Model of cylindrical micelles with different endcaps. Issue 5 (4th May 2017)

• Record Type: Journal Article
• Authors: Jia, X.; Yu, S.; Ma, Y.; Li, X.; Xu, W.; Liu, J.
• Is Part Of: Journal of dispersion science and technology. Volume 38:Issue 5(2017)
• Page Start: 621
• Page End: 625
• Publication Date: 2017-05-04
• Subjects: Critical packing parameter -- cylindrical (rod-like) micelle -- molecular dynamics -- simulation; Emulsions -- Periodicals; Suspensions (Chemistry) -- Periodicals; Emulsions; Suspensions; 541.34
• DOI: 10.1080/01932691.2016.1185016
• Languages: English
• ISSNs: 0193-2691

Abstract

ABSTRACT: The system of alcohol (C8 OH) 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: