Langmuir, Vol.12, No.24, 5763-5767, 1996
Computer-Simulations of Spontaneous Vesicle Formation
An improved version of an earlier Larson-type model of solution of amphiphiles is used to simulate the spontaneous formation of vesicles. Starting with a. solution of amphiphiles either uniformly distributed or aggregated in an ordered way, self-organization into vesicles was observed by carrying out extensive Monte Carlo simulations. The aggregation of single-tailed amphiphiles and the role of the bending rigidity in the chains are also discussed.
Keywords:MONTE-CARLO-SIMULATION;PHASE-BEHAVIOR;MICELLE FORMATION;LATTICE MODEL;MEMBRANES;MIXTURES;SURFACTANTS;AMPHIPHILE;SYSTEMS