The extended gca-eos model for mixtures of fatty oils and derivatives

• Autor(es): Ferreira, Olga ; Fornari, Tiziana ; Brignole, Esteban A. ; Bottini, Susana B.
• Data: 2000
• Identificador Persistente: http://hdl.handle.net/10198/2177
• Origem: Biblioteca Digital do IPB
• Assunto(s): Fatty acid; Group contribution; Triglycerides; Equations of state
• Tipo de Documento: Documento de conferência
• Idioma: Inglês

Descrição

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.