Self-assembly of amphiphiles into vesicles: A Brownian dynamics simulation- art. no. 041913

We studied the vesicles of amphiphilic molecules using a Brownian dynamics simulation. An amphiphilic molecule is modeled as the rigid rod, and the hy drophobic interaction is mimicked by the local density potential of the hyd rophobic particles. The amphiphilic molecules self-assemble into vesicles w ith bilayer structure. The vesicles are in fluid phase, and we calculated t he lateral diffusion constant and the rate of the flip-flop motion of molec ules in vesicles. The self-assembly kinetics into vesicles was also investi gated.