Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface

Autores
Alas, S. J.; Rojas, F.; Kornhauser, I.; Zgrablich, Jorge Andres
Año de publicación
2006
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Theoretical simulations by a dynamic Monte Carlo method were carried out with respect to the catalytic reduction of NO by CO on the Pt(100) surface. This reaction, when occurring at low pressures and under certain reaction conditions, exhibits different temporal and spatiotemporal behaviors, caused by an adsorbate-induced surface restructuring. The studies herein developed take into account recent experimental evidences concerning the NO+CO reaction on the Rh(111) surface; such experiments have shown that the production of molecular nitrogen occurs preferentially via the formation of an (N–NO)* intermediary species rather than through the conventional N+N recombination step. Sustained, irregular or damped oscillations as well as the formation of cellular structures and turbulent patterns are observed during our Monte Carlo surface reaction analysis.
Fil: Alas, S. J.. Universidad Autónoma Metropolitana; México
Fil: Rojas, F.. Universidad Autónoma Metropolitana; México
Fil: Kornhauser, I.. Universidad Autónoma Metropolitana; México
Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina
Materia
NO REDUCTION
KINETIC OSCILLATIONS
REACTION PATTERN FORMATION
SURFACE RECONSTRUCTION
DYNAMIC MONTE CARLO SIMULATION
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:11336/158336
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/158336
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surfaceAlas, S. J.Rojas, F.Kornhauser, I.Zgrablich, Jorge AndresNO REDUCTIONKINETIC OSCILLATIONSREACTION PATTERN FORMATIONSURFACE RECONSTRUCTIONDYNAMIC MONTE CARLO SIMULATIONhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Theoretical simulations by a dynamic Monte Carlo method were carried out with respect to the catalytic reduction of NO by CO on the Pt(100) surface. This reaction, when occurring at low pressures and under certain reaction conditions, exhibits different temporal and spatiotemporal behaviors, caused by an adsorbate-induced surface restructuring. The studies herein developed take into account recent experimental evidences concerning the NO+CO reaction on the Rh(111) surface; such experiments have shown that the production of molecular nitrogen occurs preferentially via the formation of an (N–NO)* intermediary species rather than through the conventional N+N recombination step. Sustained, irregular or damped oscillations as well as the formation of cellular structures and turbulent patterns are observed during our Monte Carlo surface reaction analysis.Fil: Alas, S. J.. Universidad Autónoma Metropolitana; MéxicoFil: Rojas, F.. Universidad Autónoma Metropolitana; MéxicoFil: Kornhauser, I.. Universidad Autónoma Metropolitana; MéxicoFil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; ArgentinaElsevier Science2006-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/158336Alas, S. J.; Rojas, F.; Kornhauser, I.; Zgrablich, Jorge Andres; Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 244; 1-2; 2-2006; 183-1921381-1169CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S1381116905006801info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcata.2005.09.029info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:35:30Zoai:ri.conicet.gov.ar:11336/158336instacron: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 09:35:31.0CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
title Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
spellingShingle Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
Alas, S. J.
NO REDUCTION
KINETIC OSCILLATIONS
REACTION PATTERN FORMATION
SURFACE RECONSTRUCTION
DYNAMIC MONTE CARLO SIMULATION
title_short Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
title_full Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
title_fullStr Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
title_full_unstemmed Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
title_sort Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface
dc.creator.none.fl_str_mv Alas, S. J.
Rojas, F.
Kornhauser, I.
Zgrablich, Jorge Andres
author Alas, S. J.
author_facet Alas, S. J.
Rojas, F.
Kornhauser, I.
Zgrablich, Jorge Andres
author_role author
author2 Rojas, F.
Kornhauser, I.
Zgrablich, Jorge Andres
author2_role author
author
author
dc.subject.none.fl_str_mv NO REDUCTION
KINETIC OSCILLATIONS
REACTION PATTERN FORMATION
SURFACE RECONSTRUCTION
DYNAMIC MONTE CARLO SIMULATION
topic NO REDUCTION
KINETIC OSCILLATIONS
REACTION PATTERN FORMATION
SURFACE RECONSTRUCTION
DYNAMIC MONTE CARLO SIMULATION
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Theoretical simulations by a dynamic Monte Carlo method were carried out with respect to the catalytic reduction of NO by CO on the Pt(100) surface. This reaction, when occurring at low pressures and under certain reaction conditions, exhibits different temporal and spatiotemporal behaviors, caused by an adsorbate-induced surface restructuring. The studies herein developed take into account recent experimental evidences concerning the NO+CO reaction on the Rh(111) surface; such experiments have shown that the production of molecular nitrogen occurs preferentially via the formation of an (N–NO)* intermediary species rather than through the conventional N+N recombination step. Sustained, irregular or damped oscillations as well as the formation of cellular structures and turbulent patterns are observed during our Monte Carlo surface reaction analysis.
Fil: Alas, S. J.. Universidad Autónoma Metropolitana; México
Fil: Rojas, F.. Universidad Autónoma Metropolitana; México
Fil: Kornhauser, I.. Universidad Autónoma Metropolitana; México
Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina
description Theoretical simulations by a dynamic Monte Carlo method were carried out with respect to the catalytic reduction of NO by CO on the Pt(100) surface. This reaction, when occurring at low pressures and under certain reaction conditions, exhibits different temporal and spatiotemporal behaviors, caused by an adsorbate-induced surface restructuring. The studies herein developed take into account recent experimental evidences concerning the NO+CO reaction on the Rh(111) surface; such experiments have shown that the production of molecular nitrogen occurs preferentially via the formation of an (N–NO)* intermediary species rather than through the conventional N+N recombination step. Sustained, irregular or damped oscillations as well as the formation of cellular structures and turbulent patterns are observed during our Monte Carlo surface reaction analysis.
publishDate 2006
dc.date.none.fl_str_mv 2006-02
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/11336/158336
Alas, S. J.; Rojas, F.; Kornhauser, I.; Zgrablich, Jorge Andres; Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 244; 1-2; 2-2006; 183-192
1381-1169
CONICET Digital
CONICET
url http://hdl.handle.net/11336/158336
identifier_str_mv Alas, S. J.; Rojas, F.; Kornhauser, I.; Zgrablich, Jorge Andres; Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO+CO reaction on the Pt (100) surface; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 244; 1-2; 2-2006; 183-192
1381-1169
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/abs/pii/S1381116905006801
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcata.2005.09.029
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
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
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score 13.070432

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