Sifting ionic liquids as additives for separation of acetonitrile and water azeotropic mixture using the COSMO - RS method / Jinlong Li in Industrial & engineering chemistry research, Vol. 51 N° 27 (Juillet 2012)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 51 N° 27 (Juillet 2012) . - pp. 9376-9385 Titre : Sifting ionic liquids as additives for separation of acetonitrile and water azeotropic mixture using the COSMO - RS method Type de document : texte imprimé Auteurs : Jinlong Li, Auteur ; Xiaoqian Yang, Auteur ; Kexia Chen, Auteur Année de publication : 2012 Article en page(s) : pp. 9376-9385 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Azeotropic mixture Additive Ionic liquid Résumé : The phase behavior of the ternary acetonitrile + water + ionic liquid system was predicted using the COSMO-RS method. The effects of different ionic liquids on the separation of acetonitrile + water were discussed. It was found that the influence of anions [OAc]― and [Cl]― on the acetonitrile + water mixture is strong, while the cations have fewer effects on the mixture. The interaction energies and mixing enthalpies of binary acetonitrile + ionic liquid and water + ionic liquid systems were predicted indicating that the interaction energy between molecules is stronger in the water + ionic liquid mixture than in the acetonitrile + ionic liquid system. The excess enthalpies of binary mixtures mainly depend on the hydrogen bonds formed between water (or acetonitrile) and ionic liquids. Ionic liquids [EMIM][OAc] and [EMIM]Cl are expected to be favorable solvents and supposed to have practical applications in the separation of acetonitrile from aqueous solution. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26132274 [article] Sifting ionic liquids as additives for separation of acetonitrile and water azeotropic mixture using the COSMO - RS method [texte imprimé] / Jinlong Li, Auteur ; Xiaoqian Yang, Auteur ; Kexia Chen, Auteur . - 2012 . - pp. 9376-9385. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 27 (Juillet 2012) . - pp. 9376-9385 Mots-clés : Azeotropic mixture Additive Ionic liquid Résumé : The phase behavior of the ternary acetonitrile + water + ionic liquid system was predicted using the COSMO-RS method. The effects of different ionic liquids on the separation of acetonitrile + water were discussed. It was found that the influence of anions [OAc]― and [Cl]― on the acetonitrile + water mixture is strong, while the cations have fewer effects on the mixture. The interaction energies and mixing enthalpies of binary acetonitrile + ionic liquid and water + ionic liquid systems were predicted indicating that the interaction energy between molecules is stronger in the water + ionic liquid mixture than in the acetonitrile + ionic liquid system. The excess enthalpies of binary mixtures mainly depend on the hydrogen bonds formed between water (or acetonitrile) and ionic liquids. Ionic liquids [EMIM][OAc] and [EMIM]Cl are expected to be favorable solvents and supposed to have practical applications in the separation of acetonitrile from aqueous solution. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26132274

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