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Application of infinite dilution activity coefficients for determining binary equation of state parameters / Christian S. Schacht 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. 7646–7653 Titre : Application of infinite dilution activity coefficients for determining binary equation of state parameters Type de document : texte imprimé Auteurs : Christian S. Schacht, Auteur ; Lawien Zubeir, Auteur ; Theo W. de Loos, Auteur Année de publication : 2010 Article en page(s) : pp. 7646–7653 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Binary  Equation Résumé : Infinite dilution activity coefficients can be determined relatively fast from several experimental techniques. Literature values for the infinite dilution activity coefficients are used to determine a binary interaction parameter of the perturbed-chain polar statistical associating fluid theory (PCP-SAFT) equation of state. The model is, subsequently, applied to the full concentration range of binary mixtures, and the results are compared to experimental data from literature. The applicability of the method is demonstrated for examples involving polar, associating, and polymeric components. It is confirmed that the parametrization allows for extrapolations in temperature. In combination with a group-contribution model for the estimation of infinite dilution activity coefficients (e.g., modified UNIFAC(Do)), the equation of state can be used to predict vapor−liquid equilibria of mixtures. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100259e [article] Application of infinite dilution activity coefficients for determining binary equation of state parameters [texte imprimé] / Christian S. Schacht, Auteur ; Lawien Zubeir, Auteur ; Theo W. de Loos, Auteur . - 2010 . - pp. 7646–7653. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7646–7653 Mots-clés : Binary  Equation Résumé : Infinite dilution activity coefficients can be determined relatively fast from several experimental techniques. Literature values for the infinite dilution activity coefficients are used to determine a binary interaction parameter of the perturbed-chain polar statistical associating fluid theory (PCP-SAFT) equation of state. The model is, subsequently, applied to the full concentration range of binary mixtures, and the results are compared to experimental data from literature. The applicability of the method is demonstrated for examples involving polar, associating, and polymeric components. It is confirmed that the parametrization allows for extrapolations in temperature. In combination with a group-contribution model for the estimation of infinite dilution activity coefficients (e.g., modified UNIFAC(Do)), the equation of state can be used to predict vapor−liquid equilibria of mixtures. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100259e