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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