Dissipative Particle Dynamics Simulation of Self-Assembly in a Bolaamphiphilic Solution

Abstract

The self-assembly of flexible bolaamphiphilic molecules in a solution is studied by dissipative particle dynamics simulations. In particular, we investigate the effect of the interaction difference, Δa, between the two different hydrophilic end groups on the self-assembly in a bolaamphiphilic solution. Our simulations show that two types of self-assembled structures, spherical vesicles and worm-like micelles, are obtained from a random configuration of bolaamphiphilic molecules in a solution. We find that the worm-like micelles are formed when Δa > 0, whereas spherical vesicles are obtained when Δa ≤ 0. It is also ascertained that the size of the spherical vesicles decreases as Δa decreases.