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Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 1. vapor-liquid equilibria / Andreas Grenner in Industrial & engineering chemistry research, Vol. 47 n°15 (Août 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 n°15 (Août 2008) . - p. 5636–5650 Titre : Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 1. vapor-liquid equilibria Type de document : texte imprimé Auteurs : Andreas Grenner, Auteur ; Ioannis Tsivintzelis, Auteur ; Ioannis G. Economou, Auteur Année de publication : 2008 Article en page(s) : p. 5636–5650 Note générale : Bibliogr. p. 5649-5650 Langues : Anglais (eng) Mots-clés : Nonrandom  hydrogen  bonding  --  vapor−liquid  equilibrium  models;  Perturbed-chain-statistical  associating  fluid  theory Résumé : A standard database for the validation of vapor-liquid equilibrium (VLE) models was used to evaluate prediction and correlation accuracy of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (PC-SAFT). Pure-component parameters for the models were taken from literature or estimated in this work. Generalized pure-component parameters were fitted to pure-component vapor-pressure and liquid-density data. For the majority of the mixtures examined, satisfactory results were obtained. For a number of mixtures, different modeling approaches were applied to improve the results, such as incorporation of cross-association between nonself-associating fluids or induced association for mixtures of polar nonassociating and self-associating fluids. For both models, the overall deviations from experimental data are similar, and none of the models is found to be overall superior over the other. However, for specific mixtures, one model often performs better than the other. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071381t [article] Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 1. vapor-liquid equilibria [texte imprimé] / Andreas Grenner, Auteur ; Ioannis Tsivintzelis, Auteur ; Ioannis G. Economou, Auteur . - 2008 . - p. 5636–5650. Bibliogr. p. 5649-5650 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°15 (Août 2008) . - p. 5636–5650 Mots-clés : Nonrandom  hydrogen  bonding  --  vapor−liquid  equilibrium  models;  Perturbed-chain-statistical  associating  fluid  theory Résumé : A standard database for the validation of vapor-liquid equilibrium (VLE) models was used to evaluate prediction and correlation accuracy of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (PC-SAFT). Pure-component parameters for the models were taken from literature or estimated in this work. Generalized pure-component parameters were fitted to pure-component vapor-pressure and liquid-density data. For the majority of the mixtures examined, satisfactory results were obtained. For a number of mixtures, different modeling approaches were applied to improve the results, such as incorporation of cross-association between nonself-associating fluids or induced association for mixtures of polar nonassociating and self-associating fluids. For both models, the overall deviations from experimental data are similar, and none of the models is found to be overall superior over the other. However, for specific mixtures, one model often performs better than the other. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071381t

Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. liquid-liquid equilibria and prediction of monomer fraction in hydrogen bonding systems / Ioannis Tsivintzelis in Industrial & engineering chemistry research, Vol. 48 N° 16 (Août 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 16 (Août 2009) . - pp. 7860–7860 Titre : Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. liquid-liquid equilibria and prediction of monomer fraction in hydrogen bonding systems Type de document : texte imprimé Auteurs : Ioannis Tsivintzelis, Auteur ; Andreas Grenner, Auteur ; Ioannis G. Economou, Auteur Année de publication : 2009 Article en page(s) : pp. 7860–7860 Note générale : Chemical engineering Langues : Anglais (eng) Note de contenu : Assition and corrections of article Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. liquid-liquid equilibria and prediction of monomer fraction in hydrogen bonding systems Vol. 47 N° 15/ 2008 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901084h [article] Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. liquid-liquid equilibria and prediction of monomer fraction in hydrogen bonding systems [texte imprimé] / Ioannis Tsivintzelis, Auteur ; Andreas Grenner, Auteur ; Ioannis G. Economou, Auteur . - 2009 . - pp. 7860–7860. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 16 (Août 2009) . - pp. 7860–7860 Note de contenu : Assition and corrections of article Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. liquid-liquid equilibria and prediction of monomer fraction in hydrogen bonding systems Vol. 47 N° 15/ 2008 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901084h