Guest Editorial

Abstract

This special issue is a selection of papers from the sessions on Molecular Simulation that were presented at the annual American Institute of Chemical Engineering meeting in Miami Beach, Florida, in November 1992. It reflects the great diversity of research that is now underway using atomic-level computer simulation methods and the progression to simulations of more complex systems. In this issue, for instance, the materials studied range from electrolytes (Chialvo and Cummings) to polymers (Broadbelt, LaMarca, Klein, Andrews and Colter) to precursors to exotic natural gas hydrates (Long and Sloan). The study of solid/fluid interfaces is an emerging theme. Wang and Fichthorn have studied the adsorption of EAM modeled Pt on Pt substrates. Ravi and Murad have produced an interesting new method of studying the adsorption of fluids, here nitrogen in pores. Uttorrnark et al. have studied the kinetics of growth and dissolution processes in solidAiquid systems.