[article] inIndustrial & 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 |
|
Ajouter le résultat dans votre panier Faire une suggestion Affiner la rechercheEvaluation of the nonrandom hydrogen bonding (NRHB) theory and the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 1. vapor-liquid equilibria in Industrial & engineering chemistry research, Vol. 47 n°15 (Août 2008)
