Dissipative Particle Dynamics Simulation of Phase Behavior in Bolaamphiphilic Solution

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.