Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces

Autores
Avalos, L.A.; Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zaera, F.; Zgrablich, Jorge Andres
Año de publicación
2005
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A model for the kinetics of NO reduction by CO on Rh(1 1 1) surfaces is proposed that takes into account recent experimental observations on the formation of an N–NO intermediate as an alternative pathway to produce N2, the formation of N-islands in the adsorbed phase, an increase of the NO dissociation probability with the number of neighboring vacant sites, and the blocking of NO dissociation due to the presence of neighboring co-adsorbed NO and CO species. When all these characteristics are taken into account, the overall behavior of the system in steady-state conditions, calculated through Monte Carlo simulations, is consistent with experimental observations. The effect and importance of each elementary process in the reaction kinetics is discussed.
Fil: Avalos, L.A.. Universidad Autónoma Metropolitana; México
Fil: Bustos Giunta, Victor Angel. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina
Fil: Uñac, Rodolfo Omar. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina
Fil: Zaera, F.. University of California; Estados Unidos
Fil: Zgrablich, Jorge Andres. Universidad Autónoma Metropolitana; México. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina
Materia
CATALYST
MONTE CARLO SIMULATIONS
NO
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:11336/147810
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfacesAvalos, L.A.Bustos Giunta, Victor AngelUñac, Rodolfo OmarZaera, F.Zgrablich, Jorge AndresCATALYSTMONTE CARLO SIMULATIONSNOhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1A model for the kinetics of NO reduction by CO on Rh(1 1 1) surfaces is proposed that takes into account recent experimental observations on the formation of an N–NO intermediate as an alternative pathway to produce N2, the formation of N-islands in the adsorbed phase, an increase of the NO dissociation probability with the number of neighboring vacant sites, and the blocking of NO dissociation due to the presence of neighboring co-adsorbed NO and CO species. When all these characteristics are taken into account, the overall behavior of the system in steady-state conditions, calculated through Monte Carlo simulations, is consistent with experimental observations. The effect and importance of each elementary process in the reaction kinetics is discussed.Fil: Avalos, L.A.. Universidad Autónoma Metropolitana; MéxicoFil: Bustos Giunta, Victor Angel. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; ArgentinaFil: Uñac, Rodolfo Omar. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; ArgentinaFil: Zaera, F.. University of California; Estados UnidosFil: Zgrablich, Jorge Andres. Universidad Autónoma Metropolitana; México. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; ArgentinaElsevier Science2005-03-16info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/147810Avalos, L.A.; Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zaera, F.; Zgrablich, Jorge Andres; Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 228; 1-2 SPEC. ISS.; 16-3-2005; 89-951381-11691873-314XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1381116904007228?via%3Dihubinfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcata.2004.09.061info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:44:08Zoai:ri.conicet.gov.ar:11336/147810instacron: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:34982025-09-29 10:44:08.869CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
title Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
spellingShingle Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
Avalos, L.A.
CATALYST
MONTE CARLO SIMULATIONS
NO
title_short Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
title_full Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
title_fullStr Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
title_full_unstemmed Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
title_sort Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces
dc.creator.none.fl_str_mv Avalos, L.A.
Bustos Giunta, Victor Angel
Uñac, Rodolfo Omar
Zaera, F.
Zgrablich, Jorge Andres
author Avalos, L.A.
author_facet Avalos, L.A.
Bustos Giunta, Victor Angel
Uñac, Rodolfo Omar
Zaera, F.
Zgrablich, Jorge Andres
author_role author
author2 Bustos Giunta, Victor Angel
Uñac, Rodolfo Omar
Zaera, F.
Zgrablich, Jorge Andres
author2_role author
author
author
author
dc.subject.none.fl_str_mv CATALYST
MONTE CARLO SIMULATIONS
NO
topic CATALYST
MONTE CARLO SIMULATIONS
NO
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A model for the kinetics of NO reduction by CO on Rh(1 1 1) surfaces is proposed that takes into account recent experimental observations on the formation of an N–NO intermediate as an alternative pathway to produce N2, the formation of N-islands in the adsorbed phase, an increase of the NO dissociation probability with the number of neighboring vacant sites, and the blocking of NO dissociation due to the presence of neighboring co-adsorbed NO and CO species. When all these characteristics are taken into account, the overall behavior of the system in steady-state conditions, calculated through Monte Carlo simulations, is consistent with experimental observations. The effect and importance of each elementary process in the reaction kinetics is discussed.
Fil: Avalos, L.A.. Universidad Autónoma Metropolitana; México
Fil: Bustos Giunta, Victor Angel. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina
Fil: Uñac, Rodolfo Omar. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina
Fil: Zaera, F.. University of California; Estados Unidos
Fil: Zgrablich, Jorge Andres. Universidad Autónoma Metropolitana; México. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina
description A model for the kinetics of NO reduction by CO on Rh(1 1 1) surfaces is proposed that takes into account recent experimental observations on the formation of an N–NO intermediate as an alternative pathway to produce N2, the formation of N-islands in the adsorbed phase, an increase of the NO dissociation probability with the number of neighboring vacant sites, and the blocking of NO dissociation due to the presence of neighboring co-adsorbed NO and CO species. When all these characteristics are taken into account, the overall behavior of the system in steady-state conditions, calculated through Monte Carlo simulations, is consistent with experimental observations. The effect and importance of each elementary process in the reaction kinetics is discussed.
publishDate 2005
dc.date.none.fl_str_mv 2005-03-16
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/11336/147810
Avalos, L.A.; Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zaera, F.; Zgrablich, Jorge Andres; Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 228; 1-2 SPEC. ISS.; 16-3-2005; 89-95
1381-1169
1873-314X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/147810
identifier_str_mv Avalos, L.A.; Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zaera, F.; Zgrablich, Jorge Andres; Toward a realistic model for the kinetics of the NO + CO reaction on rhodium surfaces; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 228; 1-2 SPEC. ISS.; 16-3-2005; 89-95
1381-1169
1873-314X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1381116904007228?via%3Dihub
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcata.2004.09.061
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
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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
_version_ 1844614478389313536
score 13.070432

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