Hybridizing SAFT and cubic EOS / Ilya Polishuk in Industrial & engineering chemistry research, Vol. 50 N° 7 (Avril 2011)  

Hybridizing SAFT and cubic EOS : what can be achieved? [texte imprimé] / Ilya Polishuk, Auteur . - 2011 . - pp. 4183–4198.
Chimie industrielle
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 50 N° 7 (Avril 2011) . - pp. 4183–4198

Mots-clés :	Hybridizing
Résumé :	This study deals with creating a concept of the hybrid model gathering the advantages of both cubic EOS and SAFT approaches. The proposed idea is a revision of the Chapman’s et al. SAFT by addressing the problem of its numerical pitfalls and the issue of the space available for dispersive interactions with further attaching the SAFT part by the cubic EOS’s cohesive term. It is demonstrated that the resulting model on one hand preserves the characteristic for SAFT accuracy in estimating the liquid compressibility, and on the other one − the characteristic for cubic equations capability of simultaneous modeling of critical and subcritical data. Moreover, on the basis of the comprehensive set of thermodynamic properties of 8 challenging for modeling compounds (including n-hexatriacontane, water, and methanol) it has been demonstrated that the proposed EOS has a superiority comparing even to one of the most successful versions of SAFT such as the SAFT-VR-Mie.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie102420n