Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide

Autores
Marugan, Javier; Van Grieken, Rafael; Cassano, Alberto Enrique; Alfano, Orlando Mario
Año de publicación
2007
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
An intrinsic kinetic model based on the reaction mechanism of the photocatalytic oxidation of cyanide with TiO2 has been developed and applied to the results of experiments carried out using different catalyst concentrations, initial concentrations of cyanide and incident radiation fluxes. The results of the kinetic modeling have been compared with the use of an empirical model equation generated following the response surface methodology; a statistical procedure to correlate the influence of several factors on a response variable. The kinetic model reproduces the experimental data with a relative error below 13%, slightly lower than that obtained with the empirical model equation. In contrast with the latter, the kinetic model is based on the intrinsic photocatalytic reaction mechanism and takes into account the radiation profiles inside the photoreactor. Consequently, after validating the model in a broad range of experimental conditions, it could be applied to any other reactor configuration, allowing the simulation and optimization of the radiation and reaction rate fields with scalingup and photoreactor design purposes.
Fil: Marugan, Javier. Universidad Rey Juan Carlos; España
Fil: Van Grieken, Rafael. Universidad Rey Juan Carlos; España
Fil: Cassano, Alberto Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Alfano, Orlando Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Materia
Kinetic Model
Cyanide Oxidation
Emipirical Model
Comparison
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/26040
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of CyanideMarugan, JavierVan Grieken, RafaelCassano, Alberto EnriqueAlfano, Orlando MarioKinetic ModelCyanide OxidationEmipirical ModelComparisonhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2An intrinsic kinetic model based on the reaction mechanism of the photocatalytic oxidation of cyanide with TiO2 has been developed and applied to the results of experiments carried out using different catalyst concentrations, initial concentrations of cyanide and incident radiation fluxes. The results of the kinetic modeling have been compared with the use of an empirical model equation generated following the response surface methodology; a statistical procedure to correlate the influence of several factors on a response variable. The kinetic model reproduces the experimental data with a relative error below 13%, slightly lower than that obtained with the empirical model equation. In contrast with the latter, the kinetic model is based on the intrinsic photocatalytic reaction mechanism and takes into account the radiation profiles inside the photoreactor. Consequently, after validating the model in a broad range of experimental conditions, it could be applied to any other reactor configuration, allowing the simulation and optimization of the radiation and reaction rate fields with scalingup and photoreactor design purposes.Fil: Marugan, Javier. Universidad Rey Juan Carlos; EspañaFil: Van Grieken, Rafael. Universidad Rey Juan Carlos; EspañaFil: Cassano, Alberto Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Alfano, Orlando Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaDe Gruyter2007-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/26040Marugan, Javier; Van Grieken, Rafael; Cassano, Alberto Enrique; Alfano, Orlando Mario; Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide; De Gruyter; International Journal of Chemical Reactor Engineering; 5; 1; 12-2007; 1-101542-6580CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.2202/1542-6580.1529info:eu-repo/semantics/altIdentifier/url/https://www.degruyter.com/view/j/ijcre.2007.5.1/ijcre.2007.5.1.1529/ijcre.2007.5.1.1529.xmlinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:06:33Zoai:ri.conicet.gov.ar:11336/26040instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:06:34.224CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
title Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
spellingShingle Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
Marugan, Javier
Kinetic Model
Cyanide Oxidation
Emipirical Model
Comparison
title_short Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
title_full Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
title_fullStr Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
title_full_unstemmed Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
title_sort Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide
dc.creator.none.fl_str_mv Marugan, Javier
Van Grieken, Rafael
Cassano, Alberto Enrique
Alfano, Orlando Mario
author Marugan, Javier
author_facet Marugan, Javier
Van Grieken, Rafael
Cassano, Alberto Enrique
Alfano, Orlando Mario
author_role author
author2 Van Grieken, Rafael
Cassano, Alberto Enrique
Alfano, Orlando Mario
author2_role author
author
author
dc.subject.none.fl_str_mv Kinetic Model
Cyanide Oxidation
Emipirical Model
Comparison
topic Kinetic Model
Cyanide Oxidation
Emipirical Model
Comparison
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv An intrinsic kinetic model based on the reaction mechanism of the photocatalytic oxidation of cyanide with TiO2 has been developed and applied to the results of experiments carried out using different catalyst concentrations, initial concentrations of cyanide and incident radiation fluxes. The results of the kinetic modeling have been compared with the use of an empirical model equation generated following the response surface methodology; a statistical procedure to correlate the influence of several factors on a response variable. The kinetic model reproduces the experimental data with a relative error below 13%, slightly lower than that obtained with the empirical model equation. In contrast with the latter, the kinetic model is based on the intrinsic photocatalytic reaction mechanism and takes into account the radiation profiles inside the photoreactor. Consequently, after validating the model in a broad range of experimental conditions, it could be applied to any other reactor configuration, allowing the simulation and optimization of the radiation and reaction rate fields with scalingup and photoreactor design purposes.
Fil: Marugan, Javier. Universidad Rey Juan Carlos; España
Fil: Van Grieken, Rafael. Universidad Rey Juan Carlos; España
Fil: Cassano, Alberto Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Alfano, Orlando Mario. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
description An intrinsic kinetic model based on the reaction mechanism of the photocatalytic oxidation of cyanide with TiO2 has been developed and applied to the results of experiments carried out using different catalyst concentrations, initial concentrations of cyanide and incident radiation fluxes. The results of the kinetic modeling have been compared with the use of an empirical model equation generated following the response surface methodology; a statistical procedure to correlate the influence of several factors on a response variable. The kinetic model reproduces the experimental data with a relative error below 13%, slightly lower than that obtained with the empirical model equation. In contrast with the latter, the kinetic model is based on the intrinsic photocatalytic reaction mechanism and takes into account the radiation profiles inside the photoreactor. Consequently, after validating the model in a broad range of experimental conditions, it could be applied to any other reactor configuration, allowing the simulation and optimization of the radiation and reaction rate fields with scalingup and photoreactor design purposes.
publishDate 2007
dc.date.none.fl_str_mv 2007-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/26040
Marugan, Javier; Van Grieken, Rafael; Cassano, Alberto Enrique; Alfano, Orlando Mario; Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide; De Gruyter; International Journal of Chemical Reactor Engineering; 5; 1; 12-2007; 1-10
1542-6580
CONICET Digital
CONICET
url http://hdl.handle.net/11336/26040
identifier_str_mv Marugan, Javier; Van Grieken, Rafael; Cassano, Alberto Enrique; Alfano, Orlando Mario; Comparison of Empirical and Kinetic Modeling of the Photocatalytic Oxidation of Cyanide; De Gruyter; International Journal of Chemical Reactor Engineering; 5; 1; 12-2007; 1-10
1542-6580
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.2202/1542-6580.1529
info:eu-repo/semantics/altIdentifier/url/https://www.degruyter.com/view/j/ijcre.2007.5.1/ijcre.2007.5.1.1529/ijcre.2007.5.1.1529.xml
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv De Gruyter
publisher.none.fl_str_mv De Gruyter
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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