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)  

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