| Titre : | Sifting ionic liquids as additives for separation of acetonitrile and water azeotropic mixture using the COSMO - RS method (2012) |
| Auteurs : | Jinlong Li, Auteur ; Xiaoqian Yang, Auteur ; Kexia Chen, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 51 N° 27, Juillet 2012) |
| Article en page(s) : | pp. 9376-9385 |
| Note générale : | Industrial chemistry |
| Langues : | Anglais |
| Tags : | 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 |
