Browsing by Author "Sánchez, Francisco A."
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Item GCA-EOS modeling of mono- and di-carboxylic acids for phase equilibria prediction by group contribution(Universidad de Tarragona, 2023-06-21) Sánchez, Francisco A.; Andreatta, Alfonsina E.; Pereda, SelvaCarboxylic acids are present in a wide range of industrial processes, including the production of nylon, biodegradable plastics, soaps and detergents, and pharmaceuticals. Low molecular weight carboxylic acids appear frequently in a number of industrially important waste streams, from which they must be recovered, preventing pollution and generating a profit. On the other hand, high molecular weight carboxylic acids (i.e. fatty acids) derived from fats and oils, are used in the production of coverings, surfactants, plastics, and cleaning products. Dicarboxylic acids are also industrially important compounds.Item Modeling phase equilibria in mixtures of mono- and dicarboxylic acids with hydrocarbons.(2023-06-30) Pereda, Selva; Sánchez, Francisco A.; Andreatta, Alfonsina E.In this work, a group contribution equation of state that specifically takes into account association effects (GCA-EOS) is extended to model mono- and di-carboxylic acids and their mixtures with alkanes, alkenes, and cycloalkanes. Given the predominant effect of association on the behavior of these mixtures, the acid monomer fractions in the liquid and vapor phases are set as a restriction in the parameterization of the model. The parameters are correlated with a databank comprising 1800 experimental data on phase equilibria and infinite dilution activity coefficients data, which encompass a temperature and pressure range of 236-524 K and 0.001-60 bar, respectively. The new set of GCA-EOS parameters allows a good prediction of vapor-liquid, liquid-liquid, and solid-liquid equilibrium conditions, as well as infinite dilution activity coefficients of binary and ternary mixtures containing monocarboxylic acids and hydrocarbons. We also show that this parameterization allows a qualitative and, in some cases, quantitative prediction of pure dicarboxylic acids and its mixtures with other acids and hydrocarbons.Item Recovery and purification of intermediate products of dicarboxylic acid esterification.(Universidad de Valladolid, 2023-03-21) Sánchez, Francisco A.; Andreatta, Alfonsina E.; Pereda, SelvaRecovery and purification of intermediate products of dicarboxylic acid esterification.