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Application of the simplified perturbed-chain SAFT to hydrocarbon systems with new group-contribution parameters / Zhi-Yong Zeng in Industrial & engineering chemistry research, Vol. 48 N° 12 (Juin 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 12 (Juin 2009) . - pp. 5867–5873 Titre : Application of the simplified perturbed-chain SAFT to hydrocarbon systems with new group-contribution parameters Type de document : texte imprimé Auteurs : Zhi-Yong Zeng, Auteur ; Yuan-Yuan Xu, Auteur ; Xu Hao, Auteur Année de publication : 2009 Article en page(s) : pp. 5867–5873 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Group  contribution  method  Simplified  perturbed-chain  Statistical  associating  fluid  theory  Hydrocarbon  Genetic  algorithm Résumé : A new group contribution (GC) method has been developed to estimate parameters of the simplified perturbed-chain statistical associating fluid theory (sPC-SAFT) for hydrocarbon. A key advantage of this method is that the binary interaction parameter between groups has been adopted in estimating the molecular parameter of pure component. Besides, parameters of all single groups are set to be the same for simplifying the model. Using genetic algorithm, twelve group interaction parameters are estimated on the basis of 71 sets of pure components of sPC-SAFT parameters. Tests and comparisons with other methods were performed in calculating the PVT and phase equilibrium data of heavy and branched hydrocarbon systems. The results show that the present GC method is better than the other predictive approaches in calculating parameters of sPC-SAFT. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie8019246 [article] Application of the simplified perturbed-chain SAFT to hydrocarbon systems with new group-contribution parameters [texte imprimé] / Zhi-Yong Zeng, Auteur ; Yuan-Yuan Xu, Auteur ; Xu Hao, Auteur . - 2009 . - pp. 5867–5873. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 12 (Juin 2009) . - pp. 5867–5873 Mots-clés : Group  contribution  method  Simplified  perturbed-chain  Statistical  associating  fluid  theory  Hydrocarbon  Genetic  algorithm Résumé : A new group contribution (GC) method has been developed to estimate parameters of the simplified perturbed-chain statistical associating fluid theory (sPC-SAFT) for hydrocarbon. A key advantage of this method is that the binary interaction parameter between groups has been adopted in estimating the molecular parameter of pure component. Besides, parameters of all single groups are set to be the same for simplifying the model. Using genetic algorithm, twelve group interaction parameters are estimated on the basis of 71 sets of pure components of sPC-SAFT parameters. Tests and comparisons with other methods were performed in calculating the PVT and phase equilibrium data of heavy and branched hydrocarbon systems. The results show that the present GC method is better than the other predictive approaches in calculating parameters of sPC-SAFT. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie8019246