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Modeling the volumetric properties of ionic liquids using modified perturbed hard - sphere equation of state / Hosseini, S. M. in Industrial & engineering chemistry research, Vol. 51 N° 2 (Janvier 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 2 (Janvier 2012) . - pp. 758-766 Titre : Modeling the volumetric properties of ionic liquids using modified perturbed hard - sphere equation of state : Application to pure and binary mixtures Type de document : texte imprimé Auteurs : Hosseini, S. M., Auteur ; J. Moghadasi, Auteur ; M. M. Papari, Auteur Année de publication : 2012 Article en page(s) : pp. 758-766 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Thermodynamic  properties  Binary  mixture  Equations  of  state  Ionic  liquid  Modeling Résumé : In this paper, an alternative corresponding states correlation was applied to the perturbed hard-sphere equation of state (PHS EOS) to improve the predictive power of this EOS for modeling the volumetric properties of ionic liquids (ILs) and their mixtures. Two temperature-dependent parameters appearing in the EOS have been determined using two reliable scaling constants, the surface tension and the liquid density, both at room temperature. The predictive power of the proposed model has been assessed by comparing the results with 2366 experimental data points over a broad range of pressores and temperatures. The overall average absolute deviation (AAD) of the calculated densities from literature data was found to be 0.77%. Generally, this work shows that the PHS EOS based on the surface tension property of ILs outperforms the PHS EOS based on critical properties. Moreover, the improved PHS EOS has been applied to predict the volumetric properties of 16 binary mixtures involving ILs. The second partners of binary mixtures studied in this work are water, ethanol, methanol, acetone, acetonitrile, propylene carbonate, and I-propanol. Furthermore, the binary mixtures of ILs have also been studied. From 1685 data points examined for the aforementioned binary mixtures, the AAD of the calculated densities and the excess volumes from those reported in the literature were found to be 0.38 and 0.56%, respectively. Finally, the nonadditivity behavior of the studied mixtures is also investigated. The sign of the nonadditivity parameter indicates a tendency toward attraction between the unlike molecules in the mixture. However, the value of this parameter is not large, which implies that the hard-sphere model is able to model the excess properties of the present mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25476409 [article] Modeling the volumetric properties of ionic liquids using modified perturbed hard - sphere equation of state : Application to pure and binary mixtures [texte imprimé] / Hosseini, S. M., Auteur ; J. Moghadasi, Auteur ; M. M. Papari, Auteur . - 2012 . - pp. 758-766. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 2 (Janvier 2012) . - pp. 758-766 Mots-clés : Thermodynamic  properties  Binary  mixture  Equations  of  state  Ionic  liquid  Modeling Résumé : In this paper, an alternative corresponding states correlation was applied to the perturbed hard-sphere equation of state (PHS EOS) to improve the predictive power of this EOS for modeling the volumetric properties of ionic liquids (ILs) and their mixtures. Two temperature-dependent parameters appearing in the EOS have been determined using two reliable scaling constants, the surface tension and the liquid density, both at room temperature. The predictive power of the proposed model has been assessed by comparing the results with 2366 experimental data points over a broad range of pressores and temperatures. The overall average absolute deviation (AAD) of the calculated densities from literature data was found to be 0.77%. Generally, this work shows that the PHS EOS based on the surface tension property of ILs outperforms the PHS EOS based on critical properties. Moreover, the improved PHS EOS has been applied to predict the volumetric properties of 16 binary mixtures involving ILs. The second partners of binary mixtures studied in this work are water, ethanol, methanol, acetone, acetonitrile, propylene carbonate, and I-propanol. Furthermore, the binary mixtures of ILs have also been studied. From 1685 data points examined for the aforementioned binary mixtures, the AAD of the calculated densities and the excess volumes from those reported in the literature were found to be 0.38 and 0.56%, respectively. Finally, the nonadditivity behavior of the studied mixtures is also investigated. The sign of the nonadditivity parameter indicates a tendency toward attraction between the unlike molecules in the mixture. However, the value of this parameter is not large, which implies that the hard-sphere model is able to model the excess properties of the present mixtures. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25476409