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

In this article we present the results of computer simulations of a so lvent-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 mi celle concentration. Using NpT molecular dynamics and the Widom test p article method, solvent and surfactant chemical potentials and cluster size distributions are determined as a function of surfactant concent ration. Results for both two- and three-dimensional systems are presen ted.