Isothermal Vapor–Liquid Equilibrium for Linalool + Linalyl Acetate, Linalool + α-Terpineol, and α-Terpineol + Linalyl Acetate Systems Using Headspace Gas Chromatography

Isothermal vapor–liquid equilibrium (VLE) data for valuable and thermally sensitive lavender essential oil systems, linalool + linalyl acetate, linalool + α-terpineol, and α-terpineol + linalyl acetate, were determined at 363.15, 378.15, and 393.15 K, respectively, by utilizing headspace gas chromatography (HSGC). The Wilson, NRTL, and UNIQUAC models were used to regressively fit experimental VLE data, demonstrating satisfactory agreement between the models and data. The vapor compositions were analyzed at different temperatures using the Wilson, NRTL, and UNIQUAC models, and the maximum absolute average deviation (AAD) values were 0.72, 0.78, and 0.80%, respectively, and the highest mean relative deviation (MRD) among these three models was 1.62, 1.57, and 1.65%, respectively. Furthermore, AMS software acquired the optimum intermolecular spatial arrangement and binding energy.