Mathematical modeling and numerical simulation of the extraction of bioactive compounds from Artocarpus heterophyllus with supercritical CO2

Mathematical modeling is a distinctive tool for improving yield and selection when extracting bioactive compounds from plant matrices. The objective of this study is to model the extraction of the main bioactive compounds from jackfruit seeds using supercritical CO2 to reveal aspects of mass transfer associated to this process. Two extraction conditions (12 MPa/40 °C/3 mL min−1 and 20 MPa/50 °C/4 mL min−1), particles with two different radius (0.170 mm and 0.370 mm) and three compounds determined by GC/MS were evaluated (13,27-cycloursan-3-one, 9,19-cycloergost-24(28)-en-3-ol,4,14-dimethyl-,acetate,(3β,4α, 5α) and lanosterol). The model used employed differential mass balances to evaluate the flow of mass through the fluid-particle interface applying film resistance to the interface of the bulk with the fluid. The results indicate that higher solvent specific mass optimizes the extraction of the compounds of interest and that smaller particles facilitate the convection of extraction, accelerating the obtention of compounds at the beginning of the experiment. [Display omitted] •Use of a phenomenological model to predict SFE of jackfruit seeds.•FEM model relates the concentration in the particle and fluid through a molar flow.•FEM model presented R2 greater than 0.944, considering the conditions evaluated.•Specific mass of 784 kg m−3 and rpe of 0.170 mm results in the best compounds yield.•Particle with rpe > 0. 170 mm make diffusion the limiting mechanism of extraction.