Supramolecule Structure for Amphiphilic Molecule by Dissipative Particle Dynamics Simulatio.pdfVIP

Supramolecule Structure for Amphiphilic Molecule by Dissipative Particle Dynamics Simulation Hiroaki NAKAMURA∗ 6 Theory and Computer Simulation Center / The Graduate University for Advanced Studies, National Institute 0 for Fusion Science, 322-6 Oroshi-cho, Toki, Gifu 509-5292, JAPAN (Received February 6, 2008) 0 2 r p Meso-scale simulation of structure forma- action parameters. In 1999, Jury et al. suc- A tion for AB-dimers in solution W monomers ceeded, by an empirical method, the DPD simu- was performed by dissipative particle dy- lation of the smectic mesophase for a simple am- 2 namics (DPD) algorithm. As a simu- phiphilic molecule system with water solvent [5]. 1 lation model, modified Jury Model was They showed that their minimal model (we call it ] adopted [Jury, S. et al. “Simulation of am- Jury model), which is composed of rigid AB dimers t f phiphilic mesophases using dissipative par- in solution W monomers, is very proper to present o ticle dynamics,” Phys. Chem. Chem. Phys. phase diagram of surfactant hexaethylene glycol s . 1 (1999) 2051–2056], which represents me- dodecyl ether (C E ) and water (H O) [5, 6]. In 12 6 2 t a chanics of self-assembly for surfactant hex- this paper, we reveal processes of self-organization aethylene glycol dodecyl ether (C E ) and of one smectic mesophase by modified Jury model m 12 6 water(H O). The same phase diagram as which has such a difference from the o