| Titre : | Predicting the phase behavior of polymer systems with the GC-SAFT-VR approach (2010) |
| Auteurs : | Yun Peng, Auteur ; Kimberly D. Goff, Auteur ; M. Carolina dos Ramos, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 49 N° 3, Fevrier 2010) |
| Article en page(s) : | pp. 1378–1394 |
| Note générale : | Industrial chemistry |
| Langues : | Anglais |
| Tags : | Predicting--Phase Behavior--Polymer--with--GC-SAFT-VR--Approach |
| Résumé : | The recently developed heteronuclear group contribution SAFT-VR equation (GC-SAFT-VR) [Peng et al. Fluid Phase Equilib. 2009, 227 (2), 131−144] enables the predictive study of the thermodynamic properties of fluids and their mixtures by using a molecular-based model in which the molecules are described by heterosegmented chains in which each type of segment represents a functional group present in the molecule. Given the success of the GC-SAFT-VR approach in predicting the fluid phase equilibria of mixtures without fitting to any mixture data, and the known difficulties in determining equation-of-state parameters for polymers because of the lack of coexistance data, in this work, we extend the GC-SAFT-VR equation to study the phase equilibria of small molecules in polymer systems. The results demonstrate the ability of the GC-SAFT-VR equation of state to predict the vapor−liquid and liquid−liquid equilibria of polymer solutions and accurately capture the effects of polymer molecular weight and molecular topology on phase behavior. |
| ISSN : | 0888-5885 |
