| Titre : | Using an adaptive parameter method for process simulation of nonideal systems (2010) |
| Auteurs : | Laura A. Pellegrini, Auteur ; Simone Gamba, Auteur ; Stefania Moioli, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 49 N° 10, Mai 2010) |
| Article en page(s) : | pp. 4923–4932 |
| Note générale : | Industrial chemistry |
| Langues : | Anglais |
| Tags : | 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 |
