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Equation of State for the Phase Behavior of Carbon Dioxide−Polymer Systems / Hun Yong Shin in Industrial & engineering chemistry research, Vol. 49 N° 16 (Août 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7678–7684 Titre : Equation of State for the Phase Behavior of Carbon Dioxide−Polymer Systems Type de document : texte imprimé Auteurs : Hun Yong Shin, Auteur ; Jianzhong Wu, Auteur Année de publication : 2010 Article en page(s) : pp. 7678–7684 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Thermodynamic  Multicomponent  Solutions Résumé : We proposed a hybrid equation of state for CO2−polymer systems that utilizes the Peng−Robinson (PR) equation of state for the molecular excluded-volume effects and the van der Waals attractions, and equations from the statistical associating fluid theory (SAFT) for the polymer intrachain correlations and for the short-ranged forces due to weakly polar or association interactions. The numerical performance of the new equation of state was tested by its application to correlating the PVT behavior of pure CO2, including both the vapor−liquid coexistence densities, the vapor pressure, and the specific density of condensed CO2 at near-critical and supercritical conditions, and to the volumetric properties of high molecular weight alkanes and a few representative polymers. With the parameters from the original PR equation of state for nonpolar monomeric fluids and additional ones to account for the solvent polarity and the solute degree of polymerization, the new equation of state was successfully used to calculate the phase behavior of CO2−polymer systems, including the vapor−liquid equilibria of ternary systems. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100903f [article] Equation of State for the Phase Behavior of Carbon Dioxide−Polymer Systems [texte imprimé] / Hun Yong Shin, Auteur ; Jianzhong Wu, Auteur . - 2010 . - pp. 7678–7684. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7678–7684 Mots-clés : Thermodynamic  Multicomponent  Solutions Résumé : We proposed a hybrid equation of state for CO2−polymer systems that utilizes the Peng−Robinson (PR) equation of state for the molecular excluded-volume effects and the van der Waals attractions, and equations from the statistical associating fluid theory (SAFT) for the polymer intrachain correlations and for the short-ranged forces due to weakly polar or association interactions. The numerical performance of the new equation of state was tested by its application to correlating the PVT behavior of pure CO2, including both the vapor−liquid coexistence densities, the vapor pressure, and the specific density of condensed CO2 at near-critical and supercritical conditions, and to the volumetric properties of high molecular weight alkanes and a few representative polymers. With the parameters from the original PR equation of state for nonpolar monomeric fluids and additional ones to account for the solvent polarity and the solute degree of polymerization, the new equation of state was successfully used to calculate the phase behavior of CO2−polymer systems, including the vapor−liquid equilibria of ternary systems. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100903f