(512a) Monte Carlo Simulations Probing Interfacial Adsorption and Uptake in Surfactant Bilayers

Configurational-bias Monte Carlo simulations in variants of the Gibbs ensemble are used to investigate (a) the adsorption of gas molecules at the gas-liquid surface of aqueous solutions, (b) the spatial and orientational distributions near the liquid-liquid interface of water/oil mixtures, and (c) the uptake of additives in surfactant bilayers. The talk will emphasize the computational methodologies employed for the study of these complex interfacial systems.