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Using an adaptive parameter method for process simulation of nonideal systems / Laura A. Pellegrini in Industrial & engineering chemistry research, Vol. 49 N° 10 (Mai 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 10 (Mai 2010) . - pp. 4923–4932 Titre : Using an adaptive parameter method for process simulation of nonideal systems Type de document : texte imprimé Auteurs : Laura A. Pellegrini, Auteur ; Simone Gamba, Auteur ; Stefania Moioli, Auteur Année de publication : 2010 Article en page(s) : pp. 4923–4932 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Process  Simulation  Nonideal  Systems Résumé : A thermodynamic model of the / class of methods that can be easily used with commercial process simulators is proposed. The vapor−liquid equilibrium (VLE) is calculated by means of a Redlich−Kwong-type equation of state (EoS) that uses modified Huron−Vidal mixing rules with activity coefficients: the activity coefficients are derived from the NRTL model whose parameters are evaluated by fitting VLE data of binary mixtures. By means of the Aspen PLUS process simulator, a comparison is made between the performances of both the proposed method with user-created adaptive parameters that can be forced into the simulator database and the Predictive−Soave−Redlich−Kwong (PSRK) method that uses UNIFAC to compute the excess free energy. The ethanol−water separation by extractive distillation is analyzed to point out how an incorrect prediction of the azeotrope can lead to underestimation of the overall process energy requirement. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901773q [article] Using an adaptive parameter method for process simulation of nonideal systems [texte imprimé] / Laura A. Pellegrini, Auteur ; Simone Gamba, Auteur ; Stefania Moioli, Auteur . - 2010 . - pp. 4923–4932. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 10 (Mai 2010) . - pp. 4923–4932 Mots-clés : Process  Simulation  Nonideal  Systems Résumé : A thermodynamic model of the / class of methods that can be easily used with commercial process simulators is proposed. The vapor−liquid equilibrium (VLE) is calculated by means of a Redlich−Kwong-type equation of state (EoS) that uses modified Huron−Vidal mixing rules with activity coefficients: the activity coefficients are derived from the NRTL model whose parameters are evaluated by fitting VLE data of binary mixtures. By means of the Aspen PLUS process simulator, a comparison is made between the performances of both the proposed method with user-created adaptive parameters that can be forced into the simulator database and the Predictive−Soave−Redlich−Kwong (PSRK) method that uses UNIFAC to compute the excess free energy. The ethanol−water separation by extractive distillation is analyzed to point out how an incorrect prediction of the azeotrope can lead to underestimation of the overall process energy requirement. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901773q