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Dissipative Particle Dynamics Simulation of Phase Behavior in Bolaamphiphilic Solution

Ryōen SHIRASAKI, Yuta YOSHIKAI, Hu-jun QIAN¹⁾, Susumu FUJIWARA²⁾, Yuichi TAMURA³⁾ and Hiroaki NAKAMURA⁴⁾

Department of Physics, Faculty of Engineering, Yokohama National University, 79-1 Tokiwadai, Hodogaya-ku, Yokohama 240-8501, Japan

1)

Institute for Advanced Research and Department of Chemistry, Nagoya University, Nagoya 464-8602, Japan

2)

Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan

3)

Konan University, 8-9-1 Okamoto, Higashinada-ku, Kobe 658-8501, Japan

4)

National Institute for Fusion Science, 322-6 Oroshi-cho, Toki 509-5292, Japan

(Received 7 December 2010 / Accepted 12 April 2011 / Published 11 August 2011)

Abstract

We study the phase behavior of bolaamphiphilic solution performing the dissipative particle dynamics simulations of coarse-grained bolaamphiphilic molecules with explicit solvent molecules. Our simulations show that there are six kinds of phases: isotropic micellar, micellar, rod-shaped micellar, hexagonal, network-structure and lamellar. The network-structure and the lamellar phases disappear when the restoring potential against the bending of bolaamphiphilic molecules in our simulation model is excluded; and the isotropic micellar and the hexagonal phases disappear when the restoring potential is included. This suggests that the bending potential is important in the formation of the higher-ordered structures by the bolaamphiphilic molecules.

Copyright (c) 2011 The Japan Society of Plasma Science and Nuclear Fusion Research

Keywords

bolaamphiphilic solution, dissipative particle dynamics simulation, phase diagram, micellar phase, hexagonal phase, lamellar phase

DOI: 10.1585/pfr.6.2401116

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This paper may be cited as follows:

Ryōen SHIRASAKI, Yuta YOSHIKAI, Hu-jun QIAN, Susumu FUJIWARA, Yuichi TAMURA and Hiroaki NAKAMURA, Plasma Fusion Res. 6, 2401116 (2011).