Computer Simulation of Solvation in Supercritical Fluids

Abstract

Supercritical fluids have become one the fastest growing areas of interest in both research and process development. Possible applications range from extraction processes to mediums for polymer synthesis.1,2 The interest in supercritical fluids is due to their relatively inert nature at normal conditions—thus handling and disposal is safe and inexpensive. However, working with supercritical fluids can be expensive due to the high pressures necessary for proper operating conditions and the possible corrosive effects of the supercritical fluid on equipment. Due to these concerns, experimental studies must be especially well planned to obtain the maximum amount of information from a minimum number of experiments.