Formulation of a new generic density-based model for modeling solubility of polyphenols in supercritical carbon dioxide and ethanol

• A generic model is proposed to fit solubilities in sc-CO2 and ethanol.
• Seven models are obtained from the generic model with different assumptions.
• Solubility data of six polyphenols are fitted to the proposed models.
• The models fitted the data with AARD values between 8.56% and 41.26%.
• A proposed modification makes solubility maxima calculation possible.

The aim of this work is to present a first approach in formulating a generic model for polyphenols solubility in ternary mixtures (polyphenol + ethanol + sc-CO2). Solubility data of six polyphenols were collected from the literature, and six different groups of parameters were proposed for the new generic model in order to evaluate their effects and find the best set for each polyphenol. Likewise, four dimensional groups of factors were proposed to evaluate the effect of dimensions on solubility data calculation. The results show that the originally formulated model and its modifications are particularly useful in calculating polyphenols solubility data; for instance, when resveratrol solubility data was fitted, the AARD decreased from a value of 38.52 to 14.03, upon changing from a simple to a complex model. Additionally, this generic model with a specific modification can estimate solubility maxima occurring in the ternary resveratrol + ethanol + sc-CO2 system.

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