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Ethylbenzene dehydrogenation into styrene / Jae Won Lee 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. 9183–9194 Titre : Ethylbenzene dehydrogenation into styrene : kinetic modeling and reactor simulation Type de document : texte imprimé Auteurs : Jae Won Lee, Auteur ; Gilbert F. Froment, Auteur Année de publication : 2009 Article en page(s) : p. 9183–9194 Note générale : Chemistry engineering Langues : Anglais (eng) Mots-clés : Ethylbenzene  Dehydrogenation  into  Styrene  Kinetic  Modeling  and  Reactor  Simulation Résumé : A set of intrinsic rate equations based on the Hougen—Watson formalism was derived for the dehydrogenation of ethylbenzene into styrene on a commercial potassium-promoted iron catalyst. The model discrimination and parameter estimation was based on an extensive set of experiments that were conducted in a tubular reactor. Experimental data were obtained for a range of temperatures, space times, and feed molar ratios of steam to ethylbenzene, styrene to ethylbenzene, and hydrogen to ethylbenzene. All the estimated parameters satisfied the statistical tests and physicochemical criteria, and the kinetic model yielded an excellent fit of the experimental data. The model was applied in the simulation of the dehydrogenation in industrial multibed adiabatic reactors with either axial or radial flow and accounting also for thermal radical-type reactions, internal diffusion limitations, coke formation, and gasification. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071098u [article] Ethylbenzene dehydrogenation into styrene : kinetic modeling and reactor simulation [texte imprimé] / Jae Won Lee, Auteur ; Gilbert F. Froment, Auteur . - 2009 . - p. 9183–9194. Chemistry engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 N° 23 (Décembre 2008) . - p. 9183–9194 Mots-clés : Ethylbenzene  Dehydrogenation  into  Styrene  Kinetic  Modeling  and  Reactor  Simulation Résumé : A set of intrinsic rate equations based on the Hougen—Watson formalism was derived for the dehydrogenation of ethylbenzene into styrene on a commercial potassium-promoted iron catalyst. The model discrimination and parameter estimation was based on an extensive set of experiments that were conducted in a tubular reactor. Experimental data were obtained for a range of temperatures, space times, and feed molar ratios of steam to ethylbenzene, styrene to ethylbenzene, and hydrogen to ethylbenzene. All the estimated parameters satisfied the statistical tests and physicochemical criteria, and the kinetic model yielded an excellent fit of the experimental data. The model was applied in the simulation of the dehydrogenation in industrial multibed adiabatic reactors with either axial or radial flow and accounting also for thermal radical-type reactions, internal diffusion limitations, coke formation, and gasification. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071098u

Fundamental kinetic modeling of catalytic reforming / Rogelio Sotelo-Boyás in Industrial & engineering chemistry research, Vol. 48 N°3 (Février 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N°3 (Février 2009) . - p. 1107–1119 Titre : Fundamental kinetic modeling of catalytic reforming Type de document : texte imprimé Auteurs : Rogelio Sotelo-Boyás, Auteur ; Gilbert F. Froment, Auteur Année de publication : 2009 Article en page(s) : p. 1107–1119 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Catalytic  kinetic Résumé : A fundamental kinetic model for the catalytic reforming process has been developed. The complex network of elementary steps and molecular reactions occurring in catalytic reforming was generated through a computer algorithm characterizing the various species by means of vectors and Boolean relation matrices. The algorithm is based on the fundamental chemistry occurring on both acid and metal sites of a Pt−Sn/Al2O3 catalyst. The number of rate coefficients for the transformations occurring on the metal sites was reduced by relating them to the nature of the involved carbon atoms. The single event concept was applied in the development of rate expressions for the elementary steps on the acid sites. This approach allows obtaining rate coefficients that are independent of the feedstock, owing to their fundamental chemical nature. The Levenberg−Marquardt algorithm was used to estimate the rate coefficients. The estimation was based on data reported from a previous naphtha reforming study in a fixed bed reactor with Pt−Sn/Al2O3 as a catalyst. The agreement between the experimental and estimated yields is excellent. The statistical tests were also satisfied. The kinetic model was used in pseudo-homogeneous and heterogeneous reactor models simulating an industrial three-bed adiabatic catalytic reformer with centripetal radial flow. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800607e [article] Fundamental kinetic modeling of catalytic reforming [texte imprimé] / Rogelio Sotelo-Boyás, Auteur ; Gilbert F. Froment, Auteur . - 2009 . - p. 1107–1119. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N°3 (Février 2009) . - p. 1107–1119 Mots-clés : Catalytic  kinetic Résumé : A fundamental kinetic model for the catalytic reforming process has been developed. The complex network of elementary steps and molecular reactions occurring in catalytic reforming was generated through a computer algorithm characterizing the various species by means of vectors and Boolean relation matrices. The algorithm is based on the fundamental chemistry occurring on both acid and metal sites of a Pt−Sn/Al2O3 catalyst. The number of rate coefficients for the transformations occurring on the metal sites was reduced by relating them to the nature of the involved carbon atoms. The single event concept was applied in the development of rate expressions for the elementary steps on the acid sites. This approach allows obtaining rate coefficients that are independent of the feedstock, owing to their fundamental chemical nature. The Levenberg−Marquardt algorithm was used to estimate the rate coefficients. The estimation was based on data reported from a previous naphtha reforming study in a fixed bed reactor with Pt−Sn/Al2O3 as a catalyst. The agreement between the experimental and estimated yields is excellent. The statistical tests were also satisfied. The kinetic model was used in pseudo-homogeneous and heterogeneous reactor models simulating an industrial three-bed adiabatic catalytic reformer with centripetal radial flow. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800607e