Critical - point temperature of ionic liquids from surface tension at liquid — vapor equilibrium and the correlation with the interaction energy / Mohammad Hadi Ghatee in Industrial & engineering chemistry research, Vol. 49 N° 24 (Décembre 2010)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 49 N° 24 (Décembre 2010) . - pp. 12696-12701 Titre : Critical - point temperature of ionic liquids from surface tension at liquid — vapor equilibrium and the correlation with the interaction energy Type de document : texte imprimé Auteurs : Mohammad Hadi Ghatee, Auteur ; Fatemeh Moosavi, Auteur ; Amin Reza Zolghadr, Auteur Année de publication : 2011 Article en page(s) : pp. 12696-12701 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Correlation analysis Phase equilibrium Liquid vapor Surface tension Ionic liquid Critical point Résumé : The critical temperature of ionic liquids is predicted by scaling-law, Guggenheim, and Eötvös approaches using surface tension data measured in the temperature range of 293-393 K. The available surface tensior data for imidazolium-, phosphonium-, and ammonium-based ionic liquids, with different anions content, show that the predicted critical temperature is a function of cation type and its alkyl chain length as well as the anion type. According to this dependence on the nature of the ionic liquid, the anion-cation interactior energy (Einter) was calculated by quantum mechanical density functional theory and the correlation with the predicted critical temperature was studied. The predicted critical temperature has a direct correlation to the absolute value of Einter. The ionic liquids with the BF4- anion, which consistently have the highest critica point temperature, also have the largest absolute value of Einter. As the alkyl chain length increases, the critica temperature decreases. When the surface tension is measured under a liquid-vapor equilibrium, the prediction has the meaningful feature of producing the critical-point temperature. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23692026 [article] Critical - point temperature of ionic liquids from surface tension at liquid — vapor equilibrium and the correlation with the interaction energy [texte imprimé] / Mohammad Hadi Ghatee, Auteur ; Fatemeh Moosavi, Auteur ; Amin Reza Zolghadr, Auteur . - 2011 . - pp. 12696-12701. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 24 (Décembre 2010) . - pp. 12696-12701 Mots-clés : Correlation analysis Phase equilibrium Liquid vapor Surface tension Ionic liquid Critical point Résumé : The critical temperature of ionic liquids is predicted by scaling-law, Guggenheim, and Eötvös approaches using surface tension data measured in the temperature range of 293-393 K. The available surface tensior data for imidazolium-, phosphonium-, and ammonium-based ionic liquids, with different anions content, show that the predicted critical temperature is a function of cation type and its alkyl chain length as well as the anion type. According to this dependence on the nature of the ionic liquid, the anion-cation interactior energy (Einter) was calculated by quantum mechanical density functional theory and the correlation with the predicted critical temperature was studied. The predicted critical temperature has a direct correlation to the absolute value of Einter. The ionic liquids with the BF4- anion, which consistently have the highest critica point temperature, also have the largest absolute value of Einter. As the alkyl chain length increases, the critica temperature decreases. When the surface tension is measured under a liquid-vapor equilibrium, the prediction has the meaningful feature of producing the critical-point temperature. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23692026

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