Phase equilibria of simple real fluid mixtures from perturbation theory

Abstract

Shukla K.P., 1991. Phase equilibria of simple real fluid mixtures from perturbation theory. Fluid Phase Equilibria, 67: 273-282. The previously developed first-order hard-sphere perturbation theory (Shukia, Fluid Phase Equilibria, 1991) along with the suitable combination rules have been applied to predict phase equilibria of simple binary fluid mixtures. Fluids are modeled using the Lennard-Jones (12-6) potential function. Primary results reported are for vapor-liquid phase equilibria of mixtures argon + krypton, krypton + xenon, neon + argon and neon + xenon. Comparisons of theoretical results with experimental data show that the theory, when used with the Kohler- Smith-Kong combination rules, is highly accurate. Theoretical predictions for total and excess thermodynamic properties of the highly non-ideal fluid mixture neon + argon are also found to be in very good agreement with our accurate molecular dynamics simulation results.