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Renormalization - group corrections to the perturbed - chain statistical associating fluid theory for binary mixtures / Xiaohua Tang in Industrial & engineering chemistry research, Vol. 49 N° 19 (Octobre 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 19 (Octobre 2010) . - pp. 9436–9444 Titre : Renormalization - group corrections to the perturbed - chain statistical associating fluid theory for binary mixtures Type de document : texte imprimé Auteurs : Xiaohua Tang, Auteur ; Joachim Gross, Auteur Année de publication : 2010 Article en page(s) : pp. 9436–9444 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Statistical  associating  fluid  theory Résumé : Classical fluid theories do not describe the long-range fluctuations that occur in the vicinity of a pure component or mixture’s critical point. The perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state is extended with a renormalization group theory for mixtures. The theory accounts for the long-range density fluctuations and the results reduce to the results of the classical PC-SAFT equation of state away from the critical point. Two approximation methods, the isomorphic approximation and phase-space cell approximation, are used for the renormalization group corrections of mixtures. The two variants are evaluated by comparison to experimental vapor−liquid data for systems of alkanes, carbon dioxide and hydrogen sulfide. Overall, the considered implementation of the phase-space cell approximation is slightly superior to the isomorphic approximation for the mixtures investigated here. The phase-space cell approximation tends to overestimate the renormalization corrections for some cases but generally leads to good agreement with experimental data for binary mixtures. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100890d [article] Renormalization - group corrections to the perturbed - chain statistical associating fluid theory for binary mixtures [texte imprimé] / Xiaohua Tang, Auteur ; Joachim Gross, Auteur . - 2010 . - pp. 9436–9444. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 19 (Octobre 2010) . - pp. 9436–9444 Mots-clés : Statistical  associating  fluid  theory Résumé : Classical fluid theories do not describe the long-range fluctuations that occur in the vicinity of a pure component or mixture’s critical point. The perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state is extended with a renormalization group theory for mixtures. The theory accounts for the long-range density fluctuations and the results reduce to the results of the classical PC-SAFT equation of state away from the critical point. Two approximation methods, the isomorphic approximation and phase-space cell approximation, are used for the renormalization group corrections of mixtures. The two variants are evaluated by comparison to experimental vapor−liquid data for systems of alkanes, carbon dioxide and hydrogen sulfide. Overall, the considered implementation of the phase-space cell approximation is slightly superior to the isomorphic approximation for the mixtures investigated here. The phase-space cell approximation tends to overestimate the renormalization corrections for some cases but generally leads to good agreement with experimental data for binary mixtures. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100890d