Plasma and Fusion Research
Volume 5, S2114 (2010)
Regular Articles
- Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
- 1)
- National Institute for Fusion Science, 322-6 Oroshi-cho, Toki 509-5292, Japan
- 2)
- Konan University, 8-9-1 Okamoto, Higashinada-ku, Kobe 658-8501, Japan
Abstract
Micelle formation in an amphiphilic solution is investigated by a molecular dynamics simulation of coarse-grained semiflexible amphiphilic molecules with explicit solvent molecules. Our simulations show that the micellar shape changes from a cylinder to a disc as the intensity of the molecular rigidity increases. We find that the radius of gyration of the cylindrical micelle is larger than that of the disc-shaped micelle for small molecular rigidity, although the radius of gyration is almost steady even during the transition between a cylinder and a disc for large molecular rigidity. This indicates that a cylindrical micelle formed at small molecular rigidity is more anisotropic than the one obtained at large molecular rigidity. We also ascertained that a cylindrical micelle and a disc-shaped micelle coexist dynamically over a certain molecular rigidity range.
Keywords
molecular dynamics simulation, molecular rigidity, micelle formation, micellar shape, amphiphilic solution
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This paper may be cited as follows:
Susumu FUJIWARA, Takashi ITOH, Masato HASHIMOTO, Hiroaki NAKAMURA and Yuichi TAMURA, Plasma Fusion Res. 5, S2114 (2010).