COMPUTER SIMULATIONS OF SURFACTANT SELF ASSEMBLY

Abstract

A simple oil/water/surfactant model is used to study the self-assembly of surfactants. The model contains only the most obvious elements: oil and water do not mix, and a surfactant is an amphiphilic molecule, i.e. one side of the molecule likes oil but dislikes water, the other side likes water but dislikes oil. Computer simulations on large oil/water/surfactant systems were performed on a network of 400 transputers using a parallel molecular dynamics algorithm. The simulations yield a complete micellar size distribution function. Furthermore, we observe (equilibrium) dynamical processes such as the entering of single surfactants into micelles, single surfactants leaving micelles, the fusion of two micelles, and the slow breakdown of a micelle.