In silico prediction of molecular volumes, heat capacities, and temperature-dependent densities of ionic liquids / Ulrich P. R. M. Preiss in Industrial & engineering chemistry research, Vol. 48 N°4 (Février 2009)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 48 N°4 (Février 2009) . - p. 2290–2296 Titre : In silico prediction of molecular volumes, heat capacities, and temperature-dependent densities of ionic liquids Type de document : texte imprimé Auteurs : Ulrich P. R. M. Preiss, Auteur ; John M. Slattery, Auteur ; Ingo Krossing, Auteur Année de publication : 2009 Article en page(s) : p. 2290–2296 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Heat capacities Temperature-dependent density Ionic liquids Résumé : We present a fast and reliable general estimation of the heat capacity, Cp, and temperature-dependent density, ρ, of ionic liquids, based on a new in silico method to calculate the molecular volume, Vm. The knowledge of Vm allows the prediction of many physical properties of hitherto unknown ionic liquids as well as the prediction of lattice energies and entropies of salts. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie801268a [article] In silico prediction of molecular volumes, heat capacities, and temperature-dependent densities of ionic liquids [texte imprimé] / Ulrich P. R. M. Preiss, Auteur ; John M. Slattery, Auteur ; Ingo Krossing, Auteur . - 2009 . - p. 2290–2296. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N°4 (Février 2009) . - p. 2290–2296 Mots-clés : Heat capacities Temperature-dependent density Ionic liquids Résumé : We present a fast and reliable general estimation of the heat capacity, Cp, and temperature-dependent density, ρ, of ionic liquids, based on a new in silico method to calculate the molecular volume, Vm. The knowledge of Vm allows the prediction of many physical properties of hitherto unknown ionic liquids as well as the prediction of lattice energies and entropies of salts. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie801268a

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