Simulation of Self-Reproducing Micelles Using a Lattice-Gas Automaton

We simulate self-reproducing micellar systems using a recently introduced lattice-gas automaton (Boghosian, B. M.; et al. A Lattice Gas Model of Microemulsions. Proc. R. Soc. London, A 1996, 452, 1221−1250). This dynamical model correctly describes the equilibrium and nonequilibrium properties of mixtures of oil, water, and surfactant. The simulations reported here mimic the experiments of Bachmann et al. (Nature 1992, 357, 57−59) in which caprylate micelles are formed by alkaline hydrolysis of immiscible ethyl caprylate ester. As in the laboratory experiments, we find an extended induction period during which the concentration of micelles remains small; thereafter, the ester is consumed very rapidly with concomitant production of micelles.