[article] 
inIndustrial & engineering chemistry research > Vol. 48 N° 11 (Juin 2009) . - pp. 5522–5529

Titre :	Symmetric nonrandom two-liquid segment activity coefficient model for electrolytes
Type de document :	texte imprimé
Auteurs :	Yuhua Song, Auteur ; Chau-Chyun Chen, Auteur
Année de publication :	2009
Article en page(s) :	pp. 5522–5529
Note générale :	Chemical engineering
Langues :	Anglais (eng)
Mots-clés :	NRTL-SAC Correlation Predicting phase Electrolyte model
Résumé :	The nonrandom two-liquid segment activity coefficient model (NRTL-SAC) [Chen, C.-C.; Song, Y. Solubility Modeling with a Nonrandom Two-Liquid Segment Activity Coefficient Model. Ind. Eng. Chem. Res. 2004, 43, 8354−8362] has been shown to be a simple and practical thermodynamic model for correlating and predicting phase behavior for complex pharmaceutical molecules. The model was later extended for electrolytes [Chen, C.-C.; Song, Y. Extension of Non-Random Two-Liquid Segment Activity Coefficient Model for Electrolytes. Ind. Eng. Chem. Res. 2005, 44, 8909−8921]. However, the electrolyte model was presented as an unsymmetric activity coefficient model with aqueous phase infinite dilution reference state. Such an unsymmetric model becomes rather cumbersome to use when dealing with nonaqueous solvents. In this work, we present a symmetric electrolyte NRTL-SAC model which simplifies the long-range interaction term. We further examine the utility of the model in predicting salt solubilities in nonaqueous solvents and mixed solvents.
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie900006g

[article] Symmetric nonrandom two-liquid segment activity coefficient model for electrolytes [texte imprimé] / Yuhua Song, Auteur ; Chau-Chyun Chen, Auteur . - 2009 . - pp. 5522–5529.
Chemical engineering
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 48 N° 11 (Juin 2009) . - pp. 5522–5529

Mots-clés :	NRTL-SAC Correlation Predicting phase Electrolyte model
Résumé :	The nonrandom two-liquid segment activity coefficient model (NRTL-SAC) [Chen, C.-C.; Song, Y. Solubility Modeling with a Nonrandom Two-Liquid Segment Activity Coefficient Model. Ind. Eng. Chem. Res. 2004, 43, 8354−8362] has been shown to be a simple and practical thermodynamic model for correlating and predicting phase behavior for complex pharmaceutical molecules. The model was later extended for electrolytes [Chen, C.-C.; Song, Y. Extension of Non-Random Two-Liquid Segment Activity Coefficient Model for Electrolytes. Ind. Eng. Chem. Res. 2005, 44, 8909−8921]. However, the electrolyte model was presented as an unsymmetric activity coefficient model with aqueous phase infinite dilution reference state. Such an unsymmetric model becomes rather cumbersome to use when dealing with nonaqueous solvents. In this work, we present a symmetric electrolyte NRTL-SAC model which simplifies the long-range interaction term. We further examine the utility of the model in predicting salt solubilities in nonaqueous solvents and mixed solvents.
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie900006g