Predicting the phase behavior of polymer systems with the GC-SAFT-VR approach / Yun Peng in Industrial & engineering chemistry research, Vol. 49 N° 3 (Fevrier 2010)

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 49 N° 3 (Fevrier 2010) . - pp. 1378–1394 Titre : Predicting the phase behavior of polymer systems with the GC-SAFT-VR approach Type de document : texte imprimé Auteurs : Yun Peng, Auteur ; Kimberly D. Goff, Auteur ; M. Carolina dos Ramos, Auteur Année de publication : 2010 Article en page(s) : pp. 1378–1394 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : 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 [article] Predicting the phase behavior of polymer systems with the GC-SAFT-VR approach [texte imprimé] / Yun Peng, Auteur ; Kimberly D. Goff, Auteur ; M. Carolina dos Ramos, Auteur . - 2010 . - pp. 1378–1394. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 3 (Fevrier 2010) . - pp. 1378–1394 Mots-clés : 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

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