SIMULATION OF SURFACTANT SOLUTIONS .1. MICELLE FORMATION IN THE BULK PHASE

In this article we present the results of computer simulations of a solvent-surfactant system. Using a simple surfactant model consisting of Lennard-Jones sites connected by non-harmonic springs, we can produce many features of real surfactant solutions, including the critical micelle concentration. Using NpT molecular dynamics and the Widom test particle method, solvent and surfactant chemical potentials and cluster size distributions are determined as a function of surfactant concentration. Results for both two- and three-dimensional systems are presented.