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Minimal experimental data set required for estimating PCP - SAFT parameters / Katja Albers in Industrial & engineering chemistry research, Vol. 50 N° 20 (Octobre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 20 (Octobre 2011) . - pp. 11746–11754 Titre : Minimal experimental data set required for estimating PCP - SAFT parameters Type de document : texte imprimé Auteurs : Katja Albers, Auteur ; Gabriele Sadowski, Auteur Année de publication : 2011 Article en page(s) : pp. 11746–11754 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Equation  Parameter  estimation. Résumé : The pure-component parameters of the Perturbed Chain Polar-Statistical Associating Fluid Theory (PCP-SAFT) equation of state are usually fitted to experimental data over broad temperature ranges. Against a background of limited experimental data, this article examines the amount and type of experimental data that are minimally required for safe parameter estimation. For nonassociating components, a minimal data set containing three data points is sufficient. For associating components, five data points are sufficient. The influence of vapor-pressure data on parameter estimation and the modeling results is larger than that of liquid-volume data. The temperature ranges of the experimental data can be chosen to be as small as 5 K for all of the data, except for the vapor pressures of associating components. These data require a range of at least 20 K. Application of the parameters fitted to the minimal experimental data set led to convincing results for the modeling of pure-component properties and binary mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2010803 [article] Minimal experimental data set required for estimating PCP - SAFT parameters [texte imprimé] / Katja Albers, Auteur ; Gabriele Sadowski, Auteur . - 2011 . - pp. 11746–11754. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 20 (Octobre 2011) . - pp. 11746–11754 Mots-clés : Equation  Parameter  estimation. Résumé : The pure-component parameters of the Perturbed Chain Polar-Statistical Associating Fluid Theory (PCP-SAFT) equation of state are usually fitted to experimental data over broad temperature ranges. Against a background of limited experimental data, this article examines the amount and type of experimental data that are minimally required for safe parameter estimation. For nonassociating components, a minimal data set containing three data points is sufficient. For associating components, five data points are sufficient. The influence of vapor-pressure data on parameter estimation and the modeling results is larger than that of liquid-volume data. The temperature ranges of the experimental data can be chosen to be as small as 5 K for all of the data, except for the vapor pressures of associating components. These data require a range of at least 20 K. Application of the parameters fitted to the minimal experimental data set led to convincing results for the modeling of pure-component properties and binary mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie2010803