Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures

Silicone microreactors containing microchannels of 500 µm width in a single or triple stack configuration have been manufactured, coated with an Au/TiO2 photocatalyst and tested for the photocatalytic production of hydrogen from water-ethanol gaseous mixtures under UV irradiation. Computational flui...

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Autores: Castedo Rodríguez, Alejandra|||0000-0003-1541-4073, Uriz, I., Soler Turu, Lluís|||0000-0003-1591-3366, Gandía, L. M., Llorca Piqué, Jordi|||0000-0002-7447-9582
Formato: artículo
Fecha de publicación:2016
País:España
Recursos:Universitat Politècnica de Catalunya (UPC)
Repositorio:UPCommons. Portal del coneixement obert de la UPC
Idioma:inglés
OAI Identifier:oai:upcommons.upc.edu:2117/98607
Acesso em linha:https://hdl.handle.net/2117/98607
https://dx.doi.org/10.1016/j.apcatb.2016.10.022
Access Level:acceso abierto
Palavra-chave:Fluid mechanics
Chemical reactors
Hydrogen
Hydrogen photoproduction
Gas-phase photocatalysis
Microreactor
Kinetic modeling
Computational fluid dynamics (CFD)
Mecànica de fluids
Reactors químics
Hidrogen
Àrees temàtiques de la UPC::Energies::Recursos energètics renovables
Àrees temàtiques de la UPC::Enginyeria química
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network_acronym_str ES
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repository_id_str
spelling Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixturesCastedo Rodríguez, Alejandra|||0000-0003-1541-4073Uriz, I.Soler Turu, Lluís|||0000-0003-1591-3366Gandía, L. M.Llorca Piqué, Jordi|||0000-0002-7447-9582Fluid mechanicsChemical reactorsHydrogenHydrogen photoproductionGas-phase photocatalysisMicroreactorKinetic modelingComputational fluid dynamics (CFD)Mecànica de fluidsReactors químicsHidrogenÀrees temàtiques de la UPC::Energies::Recursos energètics renovablesÀrees temàtiques de la UPC::Enginyeria químicaSilicone microreactors containing microchannels of 500 µm width in a single or triple stack configuration have been manufactured, coated with an Au/TiO2 photocatalyst and tested for the photocatalytic production of hydrogen from water-ethanol gaseous mixtures under UV irradiation. Computational fluid dynamics (CFD) simulations have revealed that the design of the distributing headers allowed for a homogeneous distribution of the gaseous stream within the channels of the microreactors. A rate equation for the photocatalytic reaction has been developed from the experimental results obtained with the single stack operated under different ethanol partial pressures, light irradiation intensities and contact times. The hydrogen photoproduction rate has been expressed in terms of a Langmuir-Hinshelwood-type equation that accurately describes the process considering that hydrogen is produced through the dehydrogenation of ethanol to acetaldehyde. This equation incorporates an apparent rate constant (kapp) that has been found to be proportional to the intrinsic kinetic rate constant (k), and that depends on the light intensity (I) as follows: kapp = k·I0.65. A three-dimensional isothermal CFD model has been developed in which the previously obtained kinetic equation has been implemented. The model adequately describes the production of hydrogen of both the single and triple stacks. Moreover, the specific hydrogen productions (i.e. per gram of catalyst) are very close for both stacks thus suggesting that the scaling-up of the process could be accomplished by simply numbering-up. However, small deviations between the experimental and predicted hydrogen production suggest that a fraction of the radiation is absorbed by the microreactor components which should be taken into account for scaling-up purposes.20172017-04-0120162016-12-20journal articlehttp://purl.org/coar/resource_type/c_6501AMhttp://purl.org/coar/version/c_ab4af688f83e57aainfo:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/2117/98607https://dx.doi.org/10.1016/j.apcatb.2016.10.022reponame:UPCommons. Portal del coneixement obert de la UPCinstname:Universitat Politècnica de Catalunya (UPC)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2http://creativecommons.org/licenses/by-nc-nd/3.0/es/info:eu-repo/semantics/openAccessoai:upcommons.upc.edu:2117/986072026-05-27T15:37:01Z
dc.title.none.fl_str_mv Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
title Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
spellingShingle Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
Castedo Rodríguez, Alejandra|||0000-0003-1541-4073
Fluid mechanics
Chemical reactors
Hydrogen
Hydrogen photoproduction
Gas-phase photocatalysis
Microreactor
Kinetic modeling
Computational fluid dynamics (CFD)
Mecànica de fluids
Reactors químics
Hidrogen
Àrees temàtiques de la UPC::Energies::Recursos energètics renovables
Àrees temàtiques de la UPC::Enginyeria química
title_short Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
title_full Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
title_fullStr Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
title_full_unstemmed Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
title_sort Kinetic analysis and CFD simulations of the photocatalytic production of hydrogen in silicone microreactors from water-ethanol mixtures
dc.creator.none.fl_str_mv Castedo Rodríguez, Alejandra|||0000-0003-1541-4073
Uriz, I.
Soler Turu, Lluís|||0000-0003-1591-3366
Gandía, L. M.
Llorca Piqué, Jordi|||0000-0002-7447-9582
author Castedo Rodríguez, Alejandra|||0000-0003-1541-4073
author_facet Castedo Rodríguez, Alejandra|||0000-0003-1541-4073
Uriz, I.
Soler Turu, Lluís|||0000-0003-1591-3366
Gandía, L. M.
Llorca Piqué, Jordi|||0000-0002-7447-9582
author_role author
author2 Uriz, I.
Soler Turu, Lluís|||0000-0003-1591-3366
Gandía, L. M.
Llorca Piqué, Jordi|||0000-0002-7447-9582
author2_role author
author
author
author
dc.subject.none.fl_str_mv Fluid mechanics
Chemical reactors
Hydrogen
Hydrogen photoproduction
Gas-phase photocatalysis
Microreactor
Kinetic modeling
Computational fluid dynamics (CFD)
Mecànica de fluids
Reactors químics
Hidrogen
Àrees temàtiques de la UPC::Energies::Recursos energètics renovables
Àrees temàtiques de la UPC::Enginyeria química
topic Fluid mechanics
Chemical reactors
Hydrogen
Hydrogen photoproduction
Gas-phase photocatalysis
Microreactor
Kinetic modeling
Computational fluid dynamics (CFD)
Mecànica de fluids
Reactors químics
Hidrogen
Àrees temàtiques de la UPC::Energies::Recursos energètics renovables
Àrees temàtiques de la UPC::Enginyeria química
description Silicone microreactors containing microchannels of 500 µm width in a single or triple stack configuration have been manufactured, coated with an Au/TiO2 photocatalyst and tested for the photocatalytic production of hydrogen from water-ethanol gaseous mixtures under UV irradiation. Computational fluid dynamics (CFD) simulations have revealed that the design of the distributing headers allowed for a homogeneous distribution of the gaseous stream within the channels of the microreactors. A rate equation for the photocatalytic reaction has been developed from the experimental results obtained with the single stack operated under different ethanol partial pressures, light irradiation intensities and contact times. The hydrogen photoproduction rate has been expressed in terms of a Langmuir-Hinshelwood-type equation that accurately describes the process considering that hydrogen is produced through the dehydrogenation of ethanol to acetaldehyde. This equation incorporates an apparent rate constant (kapp) that has been found to be proportional to the intrinsic kinetic rate constant (k), and that depends on the light intensity (I) as follows: kapp = k·I0.65. A three-dimensional isothermal CFD model has been developed in which the previously obtained kinetic equation has been implemented. The model adequately describes the production of hydrogen of both the single and triple stacks. Moreover, the specific hydrogen productions (i.e. per gram of catalyst) are very close for both stacks thus suggesting that the scaling-up of the process could be accomplished by simply numbering-up. However, small deviations between the experimental and predicted hydrogen production suggest that a fraction of the radiation is absorbed by the microreactor components which should be taken into account for scaling-up purposes.
publishDate 2016
dc.date.none.fl_str_mv 2016
2016-12-20
2017
2017-04-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
AM
http://purl.org/coar/version/c_ab4af688f83e57aa
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/2117/98607
https://dx.doi.org/10.1016/j.apcatb.2016.10.022
url https://hdl.handle.net/2117/98607
https://dx.doi.org/10.1016/j.apcatb.2016.10.022
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2

http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2

http://creativecommons.org/licenses/by-nc-nd/3.0/es/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:UPCommons. Portal del coneixement obert de la UPC
instname:Universitat Politècnica de Catalunya (UPC)
instname_str Universitat Politècnica de Catalunya (UPC)
reponame_str UPCommons. Portal del coneixement obert de la UPC
collection UPCommons. Portal del coneixement obert de la UPC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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