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Dynamic modeling and experimental validation of essential oils fractionation: application for the production of phenylpropanoids
Computers & Chemical Engineering ( IF 3.9 ) Pub Date : 2020-01-23 , DOI: 10.1016/j.compchemeng.2020.106738
Julián Arias , Daniel Casas-Orozco , Andrés Cáceres-León , Jairo Martínez , Elena Stashenko , Aída-Luz Villa

Batch distillation is useful in the essential oil (EO) industry to standardize and improve EO properties. Using the Lippia origanoides EO as a source of phenylpropanoids, a methodology was developed to solve and experimentally validate a batch distillation model, which described separation of EO major constituents over time. Nine EOs were distilled and their composition and distillation products were determined. Seven major constituents were used to represent the EOs and their distillation products in the mathematical analyses performed, namely, data reconciliation to modify the streams compositions in order to meet material balances, and a rigorous distillation model to describe the system dynamics. Statistical parameters (r2=0.95, MSE=0.002) were calculated to compare predicted and experimental data, showing that the model can accurately predict the composition of distillation cuts. This methodology can be extended to other EOs of industrial interest to support their fractionation processes.



中文翻译:

精油分馏的动态建模和实验验证:在生产苯丙烷类化合物中的应用

分批蒸馏在精油(EO)工业中很有用,以标准化和改善EO性能。使用Ligpia origanoides EO作为苯丙烷的来源,开发了一种方法来解决和实验验证批量蒸馏模型,该模型描述了随着时间的流逝EO主要成分的分离。蒸馏了9个EO,并确定了它们的组成和蒸馏产物。在执行的数学分析中,使用了七个主要成分来表示EO及其蒸馏产物,即数据调节以修改物流组成以满足物料平衡,以及用于描述系统动力学的严格蒸馏模型。统计参数([R2=0.95 中号小号Ë=0.002)进行比较以比较预测数据和实验数据,表明该模型可以准确地预测蒸馏馏分的组成。该方法可以扩展到其他具有工业价值的EO,以支持其分馏过程。

更新日期:2020-01-23
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