1 Department of Chemical and Biochemical Engineering, Technical University of Denmark2 Computer Aided Process Engineering Center, Department of Chemical and Biochemical Engineering, Technical University of Denmark3 University of Virginia4 University of Virginia
Fluctuation Solution Theory 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 coefficients. For dense fluids, the integrals follow a relatively simple corresponding-states behavior even for complex systems, show welldefined relationships for infinite dilution properties in complex and near-critical systems, allow estimation of mixed-solvent solubilities of gases and pharmaceuticals, and can be expressed by simple perturbation models for densities and gas solubilities, including ionic liquids and complex mixtures such as coal liquids. The approach is especially useful in systems with strong nonidealities. This chapter describes successful application of such modeling to a wide variety of systems treated over several decades and suggests how to test Equation of State mixing rules.
Fluctuation Theory of Solutions: Applications in Chemistry, Chemical Engineering and Biophysics, 2013