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

Siepmann, J. I., University of Minnesota
Minkara, M., University of Minnesota
Chen, J., University of Minnesota
Peters, C. J., Petroleum Institute
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.