The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice

Autores
Bergero, Paula Elena; Pastor, Verónica Estela; Irurzun, Isabel María; Mola, Eduardo Elías
Año de publicación
2007
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We studied a kinetic model of a generic heterogeneous catalytic reaction 2A* þ B* 2 → 2ABg. This reaction includes the steps of adsorption and desorption of reactants A and B2, where B2 requires two neighboring adsorption sites to be adsorbed. We solved the model exactly and without any restriction on a 2 x 2 lattice. Despite the reduced number of sites employed, the solution shows the main general features observed by simulating the mechanism on a large N x N lattice. This result should encourage the search for an analytical solution as a reliable form to unravel details of a chemical reaction prior to performing numerical simulations.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
Materia
Química
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/106380
Acceder
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network_name_str SEDICI (UNLP)
spelling The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small latticeBergero, Paula ElenaPastor, Verónica EstelaIrurzun, Isabel MaríaMola, Eduardo ElíasQuímicaWe studied a kinetic model of a generic heterogeneous catalytic reaction 2A* þ B* 2 → 2ABg. This reaction includes the steps of adsorption and desorption of reactants A and B2, where B2 requires two neighboring adsorption sites to be adsorbed. We solved the model exactly and without any restriction on a 2 x 2 lattice. Despite the reduced number of sites employed, the solution shows the main general features observed by simulating the mechanism on a large N x N lattice. This result should encourage the search for an analytical solution as a reliable form to unravel details of a chemical reaction prior to performing numerical simulations.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas2007info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf115-119http://sedici.unlp.edu.ar/handle/10915/106380enginfo:eu-repo/semantics/altIdentifier/issn/0009-2614info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2007.10.049info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-22T17:04:43Zoai:sedici.unlp.edu.ar:10915/106380Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-22 17:04:43.265SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
title The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
spellingShingle The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
Bergero, Paula Elena
Química
title_short The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
title_full The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
title_fullStr The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
title_full_unstemmed The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
title_sort The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice
dc.creator.none.fl_str_mv Bergero, Paula Elena
Pastor, Verónica Estela
Irurzun, Isabel María
Mola, Eduardo Elías
author Bergero, Paula Elena
author_facet Bergero, Paula Elena
Pastor, Verónica Estela
Irurzun, Isabel María
Mola, Eduardo Elías
author_role author
author2 Pastor, Verónica Estela
Irurzun, Isabel María
Mola, Eduardo Elías
author2_role author
author
author
dc.subject.none.fl_str_mv Química
topic Química
dc.description.none.fl_txt_mv We studied a kinetic model of a generic heterogeneous catalytic reaction 2A* þ B* 2 → 2ABg. This reaction includes the steps of adsorption and desorption of reactants A and B2, where B2 requires two neighboring adsorption sites to be adsorbed. We solved the model exactly and without any restriction on a 2 x 2 lattice. Despite the reduced number of sites employed, the solution shows the main general features observed by simulating the mechanism on a large N x N lattice. This result should encourage the search for an analytical solution as a reliable form to unravel details of a chemical reaction prior to performing numerical simulations.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
description We studied a kinetic model of a generic heterogeneous catalytic reaction 2A* þ B* 2 → 2ABg. This reaction includes the steps of adsorption and desorption of reactants A and B2, where B2 requires two neighboring adsorption sites to be adsorbed. We solved the model exactly and without any restriction on a 2 x 2 lattice. Despite the reduced number of sites employed, the solution shows the main general features observed by simulating the mechanism on a large N x N lattice. This result should encourage the search for an analytical solution as a reliable form to unravel details of a chemical reaction prior to performing numerical simulations.
publishDate 2007
dc.date.none.fl_str_mv 2007
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/106380
url http://sedici.unlp.edu.ar/handle/10915/106380
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0009-2614
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2007.10.049
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
115-119
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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