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Thermodynamic characterization of undefined petroleum fractions using group contribution methods / Bernardo Carreon-Calderon in Industrial & engineering chemistry research, Vol. 51 N° 43 (Octobre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 43 (Octobre 2012) . - pp. 14188–14198 Titre : Thermodynamic characterization of undefined petroleum fractions using group contribution methods Type de document : texte imprimé Auteurs : Bernardo Carreon-Calderon, Auteur ; Veronica Uribe-Vargas, Auteur ; Edgar Ramirez-Jaramillo, Auteur Année de publication : 2013 Article en page(s) : pp. 14188–14198 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Thermodynamic Résumé : Properties of petroleum fractions of unknown composition, the so-called undefined petroleum fractions, are estimated using an approach based on group contribution methods. Using liquid density and molecular weight as experimental data and classical thermodynamics as framework, functional groups were assigned to each undefined fraction by minimizing its free energy. Thus, methods requiring molecular structures were used directly in phase equilibrium simulations of petroleum fluids. The proposed procedure also allows the critical properties of such undefined fractions to be calculated employing no specific correlations. The obtained results show reasonable accuracy concerning phase equilibrium experiments. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3016076 [article] Thermodynamic characterization of undefined petroleum fractions using group contribution methods [texte imprimé] / Bernardo Carreon-Calderon, Auteur ; Veronica Uribe-Vargas, Auteur ; Edgar Ramirez-Jaramillo, Auteur . - 2013 . - pp. 14188–14198. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 43 (Octobre 2012) . - pp. 14188–14198 Mots-clés : Thermodynamic Résumé : Properties of petroleum fractions of unknown composition, the so-called undefined petroleum fractions, are estimated using an approach based on group contribution methods. Using liquid density and molecular weight as experimental data and classical thermodynamics as framework, functional groups were assigned to each undefined fraction by minimizing its free energy. Thus, methods requiring molecular structures were used directly in phase equilibrium simulations of petroleum fluids. The proposed procedure also allows the critical properties of such undefined fractions to be calculated employing no specific correlations. The obtained results show reasonable accuracy concerning phase equilibrium experiments. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie3016076