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Dynamic modeling and optimization of a batch reactor for limonene epoxidation / Rolando Barrera Zapata in Industrial & engineering chemistry research, Vol. 49 N° 18 (Septembre 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 18 (Septembre 2010) . - pp. 8369–8378 Titre : Dynamic modeling and optimization of a batch reactor for limonene epoxidation Type de document : texte imprimé Auteurs : Rolando Barrera Zapata, Auteur ; Aida Luz Villa, Auteur ; Consuelo Montes de Correa, Auteur Année de publication : 2010 Article en page(s) : pp. 8369–8378 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Dynamic  Optimization Résumé : A mathematical model for limonene epoxidation over PW-Amberlite in a batch reactor was developed and used for reactor simulation and optimization. The mathematical model was validated by comparison of predicted and experimentally determined limonene conversion under isothermal and nonisothermal conditions (23−50 °C) and for several limonene/oxidant molar ratios. By a sequential simulation and an optimization approach using genetic algorithms (GA), the temperature profiles minimizing the energy consumption and the variability of limonene conversion were obtained. Simulation of limonene epoxidation using the optimal temperature strategies showed that it is possible to achieve a limonene conversion of 80% in a shorter period of batch time when compared to typical isothermal conditions at 33 °C. The proposed model may also be used to scale up the catalytic system. As an illustrative example, an optimization formulation was proposed to estimate the minimum volume (18 L), the aspect ratio (height/diameter, H/D = 1.7), and the temperature profile that maximizes limonene conversion and minimizes energy consumption to obtain at least 1000 g of limonene epoxide. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100737y?journalCode=iecred [article] Dynamic modeling and optimization of a batch reactor for limonene epoxidation [texte imprimé] / Rolando Barrera Zapata, Auteur ; Aida Luz Villa, Auteur ; Consuelo Montes de Correa, Auteur . - 2010 . - pp. 8369–8378. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 18 (Septembre 2010) . - pp. 8369–8378 Mots-clés : Dynamic  Optimization Résumé : A mathematical model for limonene epoxidation over PW-Amberlite in a batch reactor was developed and used for reactor simulation and optimization. The mathematical model was validated by comparison of predicted and experimentally determined limonene conversion under isothermal and nonisothermal conditions (23−50 °C) and for several limonene/oxidant molar ratios. By a sequential simulation and an optimization approach using genetic algorithms (GA), the temperature profiles minimizing the energy consumption and the variability of limonene conversion were obtained. Simulation of limonene epoxidation using the optimal temperature strategies showed that it is possible to achieve a limonene conversion of 80% in a shorter period of batch time when compared to typical isothermal conditions at 33 °C. The proposed model may also be used to scale up the catalytic system. As an illustrative example, an optimization formulation was proposed to estimate the minimum volume (18 L), the aspect ratio (height/diameter, H/D = 1.7), and the temperature profile that maximizes limonene conversion and minimizes energy consumption to obtain at least 1000 g of limonene epoxide. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100737y?journalCode=iecred

Kinetic modeling of limonene epoxidation over pw-amberlite / Barrera Zapata, Rolando in Industrial & engineering chemistry research, Vol. 48 N°2 (Janvier 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N°2 (Janvier 2009) . - p 647–653 Titre : Kinetic modeling of limonene epoxidation over pw-amberlite Type de document : texte imprimé Auteurs : Barrera Zapata, Rolando, Auteur ; Aida Luz Villa, Auteur ; Montes de Correa, Consuelo, Auteur Année de publication : 2009 Article en page(s) : p 647–653 Langues : Anglais (eng) Mots-clés : kinetics--limonene Résumé : The kinetics of limonene epoxidation catalyzed by PW-Amberlite under triphasic conditions is described. A mechanistic pathway was postulated, and a heterogeneous kinetic model was derived following pseudo-stationary-state theory. Using adsorption parameters that were estimated from independent binary adsorption experiments, the resulting kinetic model fitted the experimental data quite well. Note de contenu : chemical engenireeng En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800822n [article] Kinetic modeling of limonene epoxidation over pw-amberlite [texte imprimé] / Barrera Zapata, Rolando, Auteur ; Aida Luz Villa, Auteur ; Montes de Correa, Consuelo, Auteur . - 2009 . - p 647–653. Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N°2 (Janvier 2009) . - p 647–653 Mots-clés : kinetics--limonene Résumé : The kinetics of limonene epoxidation catalyzed by PW-Amberlite under triphasic conditions is described. A mechanistic pathway was postulated, and a heterogeneous kinetic model was derived following pseudo-stationary-state theory. Using adsorption parameters that were estimated from independent binary adsorption experiments, the resulting kinetic model fitted the experimental data quite well. Note de contenu : chemical engenireeng En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800822n