Documents disponibles écrits par cet auteur

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

Calculation of solubility parameter using perturbed-chain SAFT and cubic-plus-association equations of state / Zhi-Yong Zeng in Industrial & engineering chemistry research, Vol. 47 N° 23 (Décembre 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 N° 23 (Décembre 2008) . - p. 9663–9669 Titre : Calculation of solubility parameter using perturbed-chain SAFT and cubic-plus-association equations of state Type de document : texte imprimé Auteurs : Zhi-Yong Zeng, Auteur ; Yuan-Yuan Xu, Auteur ; Wang Li-jun, Auteur Année de publication : 2009 Article en page(s) : p. 9663–9669 Note générale : Chemistry engineering Langues : Anglais (eng) Mots-clés : Solubility  Pparameter  Perturbed-Chain  Association  equations  of  state Résumé : Starting from the original definition of the solubility parameter, two models are developed to calculate the solubility parameter utilizing Perturbed-Chain SAFT and Cubic-Plus-Association equations of state, respectively. C3∼C12 n-alkanes and C1∼C5 1-alcohols,which represent the nonassociative and associative compounds, respectively, were investigated mainly over wide ranges of temperature and pressure. Solubility parameters calculated by two models are in good agreement with Hansen solubility parameters (HSP) and the results of Monte Carlo simulation for all of these selected molecules. It is also found that the solubility parameter increases monotonically with increasing pressure, and decreases with increasing temperature for all of these studied molecules. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800811f [article] Calculation of solubility parameter using perturbed-chain SAFT and cubic-plus-association equations of state [texte imprimé] / Zhi-Yong Zeng, Auteur ; Yuan-Yuan Xu, Auteur ; Wang Li-jun, Auteur . - 2009 . - p. 9663–9669. Chemistry engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 N° 23 (Décembre 2008) . - p. 9663–9669 Mots-clés : Solubility  Pparameter  Perturbed-Chain  Association  equations  of  state Résumé : Starting from the original definition of the solubility parameter, two models are developed to calculate the solubility parameter utilizing Perturbed-Chain SAFT and Cubic-Plus-Association equations of state, respectively. C3∼C12 n-alkanes and C1∼C5 1-alcohols,which represent the nonassociative and associative compounds, respectively, were investigated mainly over wide ranges of temperature and pressure. Solubility parameters calculated by two models are in good agreement with Hansen solubility parameters (HSP) and the results of Monte Carlo simulation for all of these selected molecules. It is also found that the solubility parameter increases monotonically with increasing pressure, and decreases with increasing temperature for all of these studied molecules. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800811f

Empirical regularity of the thermal pressure coefficient for dense fluids / Zhi-Yong Zeng in Industrial & engineering chemistry research, Vol. 49 N° 16 (Août 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7654–7659 Titre : Empirical regularity of the thermal pressure coefficient for dense fluids Type de document : texte imprimé Auteurs : Zhi-Yong Zeng, Auteur ; Yuan-Yuan Xu, Auteur ; Xiao-Sen Li, Auteur Année de publication : 2010 Article en page(s) : pp. 7654–7659 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Thermal  Pressure Résumé : In this paper, an empirical regularity has been proposed for dense fluids, namely, that the thermal pressure coefficient is a near-parabola function of pressure. The regularity has been tested with experimental data for both associating and nonassociating compounds. The applicable ranges have also been investigated widely. It is found that the regularity holds well from the freezing temperature to critical temperature, and no obvious limits were found for pressure and compound type. Moreover, parameters of the thermal pressure coefficient expression were regressed from experimental data for n-alkanols, and the statistical results show it is an accurate correlation equation. Further, on the basis of the Lennard-Jones (12−6) potential function, the theoretical analysis was given to confirm the existence and uniqueness of the peak point for Lennard-Jones fluids. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100271c [article] Empirical regularity of the thermal pressure coefficient for dense fluids [texte imprimé] / Zhi-Yong Zeng, Auteur ; Yuan-Yuan Xu, Auteur ; Xiao-Sen Li, Auteur . - 2010 . - pp. 7654–7659. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 16 (Août 2010) . - pp. 7654–7659 Mots-clés : Thermal  Pressure Résumé : In this paper, an empirical regularity has been proposed for dense fluids, namely, that the thermal pressure coefficient is a near-parabola function of pressure. The regularity has been tested with experimental data for both associating and nonassociating compounds. The applicable ranges have also been investigated widely. It is found that the regularity holds well from the freezing temperature to critical temperature, and no obvious limits were found for pressure and compound type. Moreover, parameters of the thermal pressure coefficient expression were regressed from experimental data for n-alkanols, and the statistical results show it is an accurate correlation equation. Further, on the basis of the Lennard-Jones (12−6) potential function, the theoretical analysis was given to confirm the existence and uniqueness of the peak point for Lennard-Jones fluids. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100271c