The Modeling of Solubility

by Campanell, Frank Christopher

Campanell, Frank C. M.S., Department of Chemistry, Wright State University, 2006. The Modeling of Solubility. In this work the solubilities of gases in liquids and liquids in liquids were modeled using both physical properties and topological descriptors of the solutes. Quantitative structure-activity relationship (QSAR) methods were employed to create single-linear regression (SLR) and multiple-linear regression (MLR) models of the solubilities. Factor analysis was employed to determine the number of significant factors present in the solubilities. The solubilities of monoalcohols in water, halogenated alkanes in water, gases in water, gases in alkanes, and gases in alcohols were examined and modeled.