Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor

An air purification reactor working under the standard ISO 22197-1 is studied and used for the determination of the intrinsic kinetic parameters of the NOx photocatalytic removal. A new mechanistic kinetic model considering explicitly the radiation step is proposed. The derived reaction rate express...

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Autores: Muñoz, Vanesa, Casado, Cintia, Suárez, Silvia, Sánchez, Benigno, Marugán Aguado, Angel Javier
Tipo de recurso: artículo
Fecha de publicación:2019
País:España
Institución:Universidad Rey Juan Carlos
Repositorio:BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos
OAI Identifier:oai:burjcdigital.urjc.es:10115/29857
Acceso en línea:https://hdl.handle.net/10115/29857
Access Level:acceso abierto
Palabra clave:Photocatalysis
NOx
Mechanistic kinetics
Intrinsic parameters
CFD
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spelling Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactorMuñoz, VanesaCasado, CintiaSuárez, SilviaSánchez, BenignoMarugán Aguado, Angel JavierPhotocatalysisNOxMechanistic kineticsIntrinsic parametersCFDAn air purification reactor working under the standard ISO 22197-1 is studied and used for the determination of the intrinsic kinetic parameters of the NOx photocatalytic removal. A new mechanistic kinetic model considering explicitly the radiation step is proposed. The derived reaction rate expressions for NO and NO2 include the dependence on the concentration of NO, NO2 and the local superficial rate of photon absorption. The air purification reactor was modelled using a numerical simulation methodology to validate homogeneity of the light distribution reaching the catalyst surface and go deep in the knowledge of fluid dynamic behaviour. Based on these results, general guidelines of the reactor behaviour working under the ISO 22197-1 standard can be stablished, being the first time that this reactor is modelled with a global predictive approach. Radiation intensity over the catalyst surface was confirmed to reach the specified value of 10 ± 0.5 W m−2. Plug flow can be applied in the studied reactor with an axial dispersion module lower than 0.001. However, the diffusion of chemical species in the reactor was also studied, as well as the impact of mass transfer phenomena on the accuracy of the calculated kinetic parameters. A comprehensive simulation model of the ISO reactor, including fluid dynamics, radiation, photochemical reaction and mass transfer was developed. The simulation results confirm that the kinetic parameters obtained without considering mass transfer limitation fail to reproduce the experimental data, whereas a global error lower than a 17% was achieved including the diffusion of the species in the reactor. The proposed methodology, experimentally validated, could be successfully applied to the pre-diction of the performance of different type of photocatalytic reactors or even open systems for NOx pollutants.Catalysis Today202420242019info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/10115/29857reponame:BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlosinstname:Universidad Rey Juan CarlosInglésAttribution-NonCommercial-NoDerivatives 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:burjcdigital.urjc.es:10115/298572026-06-24T12:48:17Z
dc.title.none.fl_str_mv Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
title Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
spellingShingle Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
Muñoz, Vanesa
Photocatalysis
NOx
Mechanistic kinetics
Intrinsic parameters
CFD
title_short Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
title_full Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
title_fullStr Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
title_full_unstemmed Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
title_sort Photocatalytic NOx removal: Rigorous kinetic modelling and ISO standard reactor
dc.creator.none.fl_str_mv Muñoz, Vanesa
Casado, Cintia
Suárez, Silvia
Sánchez, Benigno
Marugán Aguado, Angel Javier
author Muñoz, Vanesa
author_facet Muñoz, Vanesa
Casado, Cintia
Suárez, Silvia
Sánchez, Benigno
Marugán Aguado, Angel Javier
author_role author
author2 Casado, Cintia
Suárez, Silvia
Sánchez, Benigno
Marugán Aguado, Angel Javier
author2_role author
author
author
author
dc.subject.none.fl_str_mv Photocatalysis
NOx
Mechanistic kinetics
Intrinsic parameters
CFD
topic Photocatalysis
NOx
Mechanistic kinetics
Intrinsic parameters
CFD
description An air purification reactor working under the standard ISO 22197-1 is studied and used for the determination of the intrinsic kinetic parameters of the NOx photocatalytic removal. A new mechanistic kinetic model considering explicitly the radiation step is proposed. The derived reaction rate expressions for NO and NO2 include the dependence on the concentration of NO, NO2 and the local superficial rate of photon absorption. The air purification reactor was modelled using a numerical simulation methodology to validate homogeneity of the light distribution reaching the catalyst surface and go deep in the knowledge of fluid dynamic behaviour. Based on these results, general guidelines of the reactor behaviour working under the ISO 22197-1 standard can be stablished, being the first time that this reactor is modelled with a global predictive approach. Radiation intensity over the catalyst surface was confirmed to reach the specified value of 10 ± 0.5 W m−2. Plug flow can be applied in the studied reactor with an axial dispersion module lower than 0.001. However, the diffusion of chemical species in the reactor was also studied, as well as the impact of mass transfer phenomena on the accuracy of the calculated kinetic parameters. A comprehensive simulation model of the ISO reactor, including fluid dynamics, radiation, photochemical reaction and mass transfer was developed. The simulation results confirm that the kinetic parameters obtained without considering mass transfer limitation fail to reproduce the experimental data, whereas a global error lower than a 17% was achieved including the diffusion of the species in the reactor. The proposed methodology, experimentally validated, could be successfully applied to the pre-diction of the performance of different type of photocatalytic reactors or even open systems for NOx pollutants.
publishDate 2019
dc.date.none.fl_str_mv 2019
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/10115/29857
url https://hdl.handle.net/10115/29857
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.rights.none.fl_str_mv Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Catalysis Today
publisher.none.fl_str_mv Catalysis Today
dc.source.none.fl_str_mv reponame:BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos
instname:Universidad Rey Juan Carlos
instname_str Universidad Rey Juan Carlos
reponame_str BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos
collection BURJC-Digital. Repositorio Institucional de la Universidad Rey Juan Carlos
repository.name.fl_str_mv
repository.mail.fl_str_mv
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