Thermodynamic modeling of aqueous ionic liquid solutions using PC - SAFT equation of state / Reza Shahriari in Industrial & engineering chemistry research, Vol. 51 N° 30 (Août 2012)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 51 N° 30 (Août 2012) . - pp. 10274-10282 Titre : Thermodynamic modeling of aqueous ionic liquid solutions using PC - SAFT equation of state Type de document : texte imprimé Auteurs : Reza Shahriari, Auteur ; Mohammad Reza Dehghani, Auteur ; Bahman Behzadi, Auteur Année de publication : 2012 Article en page(s) : pp. 10274-10282 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Thermodynamic properties Equations of state Ionic liquid Modeling Résumé : In this work, an equation of state has been utilized for thermodynamic modeling of aqueous ionic liquid (IL) solutions. The proposed equation of state is a combination of perturbed chain statistical associating fluid theory (PC-SAFT) equation of state and mean spherical approximation (MSA) term. In this model, the ion-based approach has been used to adjust the model parameters. The ion parameters have been estimated through simultaneous fitting to experimental mean ionic activity coefficient and liquid density data of strong electrolytes. Using adjusted ion parameters, osmotic coefficients, mean ionic activity coefficients, liquid densities, apparent molar volume, and water activity of several ILs, assumed as chainlike electrolytes, have been calculated. Results show that PC-SAFT, in combination with the MSA term has acceptable accuracy for prediction of density, apparent molar volume, and activity coefficient of ILs. The average deviations of predicted mean ionic activity coefficients, liquid densities, water activity, and apparent molar volume are 6.43, 0.86, 0.033, and 8.20%, respectively. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26201445 [article] Thermodynamic modeling of aqueous ionic liquid solutions using PC - SAFT equation of state [texte imprimé] / Reza Shahriari, Auteur ; Mohammad Reza Dehghani, Auteur ; Bahman Behzadi, Auteur . - 2012 . - pp. 10274-10282. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 30 (Août 2012) . - pp. 10274-10282 Mots-clés : Thermodynamic properties Equations of state Ionic liquid Modeling Résumé : In this work, an equation of state has been utilized for thermodynamic modeling of aqueous ionic liquid (IL) solutions. The proposed equation of state is a combination of perturbed chain statistical associating fluid theory (PC-SAFT) equation of state and mean spherical approximation (MSA) term. In this model, the ion-based approach has been used to adjust the model parameters. The ion parameters have been estimated through simultaneous fitting to experimental mean ionic activity coefficient and liquid density data of strong electrolytes. Using adjusted ion parameters, osmotic coefficients, mean ionic activity coefficients, liquid densities, apparent molar volume, and water activity of several ILs, assumed as chainlike electrolytes, have been calculated. Results show that PC-SAFT, in combination with the MSA term has acceptable accuracy for prediction of density, apparent molar volume, and activity coefficient of ILs. The average deviations of predicted mean ionic activity coefficients, liquid densities, water activity, and apparent molar volume are 6.43, 0.86, 0.033, and 8.20%, respectively. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26201445

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