This study describes the procedure to calculate the equilibrium data of supercritical CO extraction of lavender essential oil (LEO) by using the commercial Aspen Plus® simulator and RK-Aspen thermodynamic package. From the experimental and bibliographic data, properties of pure compounds and the binary interaction parameters could be determined. A plant was also designed to calculate the solubility of LEO from the model obtained and the effectiveness of this tool to predict solubility data was verified, with model values very close to those determined experimentally; the maximum value was 22.6 kg LEO/m CO at 40 ºC and 180 bar. These results allowed us to study the influence of the number of stages in the extractor as well as the ratio between solvent and raw material (S/F). The proposed model can be useful to make a preliminary study of the supercritical extraction of other oils avoiding the determination of specific equilibrium data.

中文翻译：

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使用 Aspen Plus® 模拟超临界 CO2 + 薰衣草精油的平衡

本研究描述了使用商业 Aspen Plus® 模拟器和 RK-Aspen 热力学软件包计算薰衣草精油 (LEO) 超临界 CO 萃取平衡数据的程序。根据实验和文献数据，可以确定纯化合物的性质和二元相互作用参数。还设计了一种装置，根据获得的模型计算LEO的溶解度，并验证了该工具预测溶解度数据的有效性，模型值非常接近实验确定的值；在 40 ℃ 和 180 bar 时，最大值为 22.6 kg LEO/m CO。这些结果使我们能够研究萃取器级数以及溶剂与原料之间的比例 (S/F) 的影响。该模型可用于对其他油类的超临界萃取进行初步研究，避免确定特定的平衡数据。