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Vapor–Liquid Equilibrium of Monoterpene-Sesquiterpene System Containing Resin Acid
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2024-03-04 , DOI: 10.1021/acs.iecr.3c04175 Shufen Wang 1 , Jinrou Wei 1 , Hongzhao Xie 2 , Xiaopeng Chen 1 , Jie zhen Liang 1 , Xiaojie Wei 1 , Jie Huang 1 , Linlin Wang 1
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2024-03-04 , DOI: 10.1021/acs.iecr.3c04175 Shufen Wang 1 , Jinrou Wei 1 , Hongzhao Xie 2 , Xiaopeng Chen 1 , Jie zhen Liang 1 , Xiaojie Wei 1 , Jie Huang 1 , Linlin Wang 1
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The phase equilibrium relationships of resin systems are indispensable for resin tapping, distillation, and investigating the release of terpenes in biogenic volatile organic compounds (BVOCs). Herein, we obtained the vapor–liquid equilibrium (VLE) data of monoterpene-sesquiterpene systems that contain resin acid by a headspace gas chromatography (HS-GC). There is no azeotropic behavior between terpenes, and abietic acid was found to inhibit the volatilization and separation of terpenes. Furthermore, the saturated vapor pressure of the systems almost triples when the experimental temperature increases from 313.15 to 333.15 K, which may exacerbate terpene emissions in ecosystems. Additionally, the thermodynamic consistency of the VLE values was confirmed by van Ness test, and the experimental data were correlated using NRTL, UNIQUAC, and Wilson activity coefficient models, while the Conductor-like Screening Model for Real Solvents (COSMO-RS) model was utilized for predictions. All of the data satisfy thermodynamic consistency, and the correlation results and prediction results demonstrate good adherence of the activity coefficient models to experimental values and the positive capacity of COSMO-RS in predicting the VLE relationship for the pine resin systems, respectively.
中文翻译：
含树脂酸的单萜-倍半萜体系的气液平衡
树脂系统的相平衡关系对于树脂的出料、蒸馏和研究生物挥发性有机化合物 (BVOC) 中萜烯的释放是必不可少的。在此，我们通过顶空气相色谱 (HS-GC) 获得了含有树脂酸的单萜-倍半萜体系的气液平衡 (VLE) 数据。萜烯之间不存在共沸行为，松香酸可抑制萜烯的挥发和分离。此外，当实验温度从313.15 K升高到333.15 K时，系统的饱和蒸气压几乎增加了两倍，这可能会加剧生态系统中萜烯的排放。此外，VLE值的热力学一致性通过van Ness检验得到证实，实验数据使用NRTL、UNIQUAC和Wilson活度系数模型进行关联，而真实溶剂的类导体筛选模型（COSMO-RS）模型则采用用于预测。所有数据均满足热力学一致性，相关结果和预测结果分别证明了活性系数模型与实验值的良好一致性以及COSMO-RS在预测松脂体系VLE关系方面的积极能力。
更新日期：2024-03-04
中文翻译：
含树脂酸的单萜-倍半萜体系的气液平衡
树脂系统的相平衡关系对于树脂的出料、蒸馏和研究生物挥发性有机化合物 (BVOC) 中萜烯的释放是必不可少的。在此，我们通过顶空气相色谱 (HS-GC) 获得了含有树脂酸的单萜-倍半萜体系的气液平衡 (VLE) 数据。萜烯之间不存在共沸行为，松香酸可抑制萜烯的挥发和分离。此外，当实验温度从313.15 K升高到333.15 K时，系统的饱和蒸气压几乎增加了两倍，这可能会加剧生态系统中萜烯的排放。此外，VLE值的热力学一致性通过van Ness检验得到证实，实验数据使用NRTL、UNIQUAC和Wilson活度系数模型进行关联，而真实溶剂的类导体筛选模型（COSMO-RS）模型则采用用于预测。所有数据均满足热力学一致性，相关结果和预测结果分别证明了活性系数模型与实验值的良好一致性以及COSMO-RS在预测松脂体系VLE关系方面的积极能力。
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