The Group Contribution Concept:  A Useful Tool To Correlate Binary Systems and To Predict the Phase Behavior of Multicomponent Systems Involving Supercritical CO2 and Fatty Acids

• Published in: Industrial & engineering chemistry research 1999-12, Vol.38 (12), p.5011-5018
• Main Authors: Jaubert, Jean-Noël, Coniglio, Lucie
• Format: Article
• Language: English
• Subjects: Chemistry; Exact sciences and technology; General and physical chemistry; Liquid-vapor equilibria; Phase equilibria
• ISSN: 0888-5885; 1520-5045
• DOI: 10.1021/ie990544d

In this paper, a purely predictive model for the phase equilibria computation of mixtures involving fatty acids (FA) and supercritical carbon dioxide (SC-CO2) is proposed. In a first step, the phase equilibria modeling of FA/CO2 binary systems were performed using the Peng−Robinson equation of state. To obtain a purely predictive model, the group contribution method developed by Abdoul et al. which allows the prediction of the binary interaction parameters (k ij ) was extended to FA compounds. In a second step, the proposed model was used to predict the phase equilibria data of ternary and quaternary systems found in the literature. In a last step, bubble-point and dew-point pressures of systems involving CO2 and multicomponent mixtures of FA were measured in our laboratory, and the previous model was used in order to check its capability in predicting these data.