Percorrer por autor "Fornari, Tiziana"
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- Modeling of association effects in mixtures of carboxylic acids with associating and non-associating componentsPublication . Ferreira, Olga; Fornari, Tiziana; Brignole, Esteban A.; Bottini, Susana B.The group contribution with association equation of state GCA-EOS has been applied to calculate thermodynamic properties of pure compounds and mixtures of carboxylic acids with paraffins, alcohols, water and gases, at low and high pressures. Two associating groups, OH and COOH, were defined. Self- and cross-association in these mixtures were quantified through two parallel COOH/COOH and OH/OH associations. The validity of this approach is supported by an excellent representation of pure compound properties (vapor pressures and compressibility factors) and phase equilibria in mixtures of (associating + inert) and (associating + associating) components at low and high pressures.
- The extended gca-eos model for mixtures of fatty oils and derivativesPublication . Ferreira, Olga; Fornari, Tiziana; Brignole, Esteban A.; Bottini, Susana B.The Group Contribution Equation of State GC-EOS has been satisfactory applied to the modeling of high-pressure phase equilibria of supercritical gases (CO2, propane, ethane, dimethylether) with pure triglycerides and natural vegetable oils. The GC-EOS model size-related parameter, i.e. the critical hard sphere diameter, of the high molecular weight compounds were determined by fitting infinite dilution activity coefficients of n-alkanes in these heavy compounds. In this way the GC-EOS model was able to correlate and predict vapor-liquid (VLE) and liquid-liquid (LLE) equilibria of these mixtures, using a unique set of parameters, in good agreement with experimental data. In this work the application of the model is extended to mixtures containing fatty oil derivatives, such as fatty acids, fatty acids esters, mono - and diglycerides. The associating effects between molecules are described using an upgraded version of the model, the Group Contribution Associating - EOS. Satisfactory correlation and prediction of experimental VLE, LLE and ginfinite data in binary and ternary mixtures of these products with supercritical gases are obtained.