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.

中文翻译：

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使用顶空气相色谱法实现芳樟醇 + 乙酸芳樟酯、芳樟醇 + α-萜品醇和 α-萜品醇 + 乙酸芳樟酯系统的等温气液平衡

有价值且热敏感的薰衣草精油体系、芳樟醇 + 乙酸芳樟酯、芳樟醇 + α-萜品醇和 α-萜品醇 + 乙酸芳樟酯的等温汽液平衡 (VLE) 数据分别在 363.15、378.15 和 393.15 K 下测定，通过利用顶空气相色谱法 (HSGC)。 Wilson、NRTL 和 UNIQUAC 模型用于回归拟合实验 VLE 数据，证明模型和数据之间令人满意的一致性。使用Wilson、NRTL和UNIQUAC模型对不同温度下的蒸气成分进行分析，最大绝对平均偏差（AAD）值分别为0.72、0.78和0.80%，其中平均相对偏差（MRD）最高三个模型分别为 1.62、1.57 和 1.65%。此外，AMS软件获得了最佳的分子间空间排列和结合能。