Vapor–Liquid Equilibrium for Binary Systems of α-Pinene + Myrcene, α-Pinene + β-Caryophyllene, Myrcene + β-Caryophyllene: HS-GC Measurements and Model Correlation

Isothermal vapor–liquid equilibrium data were measured for the binary systems related to α-pinene + myrcene, α-pinene + β-caryophyllene, and myrcene + β-caryophyllene using static headspace gas chromatography at 313.2, 323.2, and 333.2 K. The experimental data were correlated with the nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) models to obtain the binary interaction parameters. The small deviations demonstrated great agreement between the models and the experimental data. Moreover, the NRTL model showed marginally superior predictive accuracy in data association compared with the UNIQUAC model. The three binary systems exhibited simple phase behaviors with no azeotrope formation. In addition, the molecular surface charge profile and the binary energies of these systems were used to validate the strength of the σ-profile and to elucidate the role of intermolecular interactions in vapor–liquid equilibrium.