| Titre : | Minimal experimental data set required for estimating PCP - SAFT parameters (2011) |
| Auteurs : | Katja Albers, Auteur ; Gabriele Sadowski, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 50 N° 20, Octobre 2011) |
| Article en page(s) : | pp. 11746–11754 |
| Note générale : | Chimie industrielle |
| Langues : | Anglais |
| Tags : | 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 |
