ABSTRACT

Abstract: Fluctuation Solution Theory (FST) provides relationships between integrals of the molecular pair total and direct correlation functions and the pressure derivative of solution density, partial molar volumes, and composition derivatives of activity coefcients. For dense uids, the integrals follow a relatively simple corresponding-states behavior even for complex systems,

9.1 Introduction ..................................................................................................226 9.2 Fluctuation Solution Theory Modeling of Pure Component and Mixture

Density Dependences on Pressure and Composition ................................... 227 9.2.1 Compressibilities .............................................................................. 227 9.2.2 Pure Component and Solution Densities .......................................... 229 9.2.3 Partial Molar Volumes ...................................................................... 233

9.2.3.1 Partial Molar Volumes at Innite Dilution ........................ 233 9.2.4 Partial Molar Volumes at Finite Concentrations .............................. 235

9.3 Fluctuation Solution Theory Modeling of Phase Equilibria Involving Dilute Solutions ............................................................................................ 235 9.3.1 Models Based on Activity Coefcients ............................................ 236 9.3.2 Models Based on Equations of State ................................................ 239 9.3.3 Solubilities in Mixed Liquid Solvents ..............................................244