화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.99, 153-166, 1994
Phase-Equilibria and Thermodynamic Properties of Molecular Fluids from Perturbation-Theory .2. Binary-Fluid Mixtures
The thermodynamic perturbation theory developed in Part I of this work is applied to describe phase equilibria and thermodynamic excess properties of binary fluid mixtures. The theory is based on the spherically symmetric reference system represented by the Lennard-Jones pair interactions, whereas the isotropic and anisotropic interactions arising from two-body electrostatic, induction, dispersion and repulsion forces, and from three-body induction and dispersion forces, are treated as perturbations. These calculations differ from the previous perturbation theories based on the equation of state for argon as the reference system in two major respects. First, the reference mixture properties are computed more accurately using a reliable form of the perturbation theory of simple fluid mixtures. Second, unlike potential parameters are estimated adequately using a recently proposed set of combination rules. Comparisons of theoretical results with experimental data for phase equilibria and thermodynamic excess properties are presented for some selected fluid mixtures, namely argon + krypton, xenon + ethylene, carbon dioxide + ethane, and xenon + hydrogen bromide. These comparisons show a very good performance of the perturbation theory, which offers a significant improvement over a similar form of the perturbation theory based on the equation of state for argon as the reference mixture.