A novel model for multicomponent supercritical fluid extraction and its application to Ruta graveolens

In this work, a multicomponent model for understanding the relationship between the chemical compositions of an extract and extracted plant is developed and presented for the first time. Its robustness and efficiency were validated on the example of furanocoumarins and waxes extracted from aerial parts of common rue with supercritical CO2 at pressures and temperatures (12-30) MPa and (313-333) K. For the purpose of modeling, the waxes are represented by n-tritriacontane and furanocoumarins - by xanthotoxin, the solubility of which in CO2 was measured using the dynamic method. A rigorous thermodynamic modeling framework was applied to calculate the composition-dependent solubilities of extracted compounds, which were incorporated in the kinetics model in order to calculate the extraction curves. For individual extraction curves, the average absolute deviation between the calculated and experimental extraction yields, expressed as percentage of the asymptotic extraction yield, was in the range (0.2-5.8) %. (C) 2016 Elsevier B.V. All rights reserved.