Supramolecule Structure for Amphiphilic Molecules by Dissipative Particle Dynamics Simulation

DOI10.1080/08927020412331298720MaRDI QIDQ4663008zbMATH OpenOpenAlexFDO

Authors Hiroaki Nakamura

Publication date 30 March 2005

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0604300

zbMATH Keywords

Amphiphilic molecule, Nonionic surfactant, Self assembly, Dissipative particle dynamics simulation, Structure formation, Phase diagram

Mathematics Subject Classification ID

Abstract: Meso-scale simulation of structure formation for AB-dimers in solution W monomers was performed by dissipative particle dynamics (DPD) algorithm. As a simulation model, modified Jury Model was adopted Jury, S. et al. "Simulation of amphiphilic mesophases using dissipative particle dynamics," Phys. Chem. Chem. Phys. vol.1(1999) pp. 2051-2056, which represents mechanics of self-assembly for surfactant hexaethylene glycol dodecyl ether (C12E6) and water(H2 O). The same phase diagram as Jury's result was obtained. We also found that it takes a longer time to form the hexagonal phase (H1) than to form the lamellar phase (Lalpha).

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