The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study

Autores
Pinto, Oscar Alejandro; Pasinetti, Pedro Marcelo; Ramirez Pastor, Antonio Jose; Nieto Quintas, Felix Daniel
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model. The traditional assumption of additive lateral interactions is replaced with a more general one including non-pairwise interactions. It is assumed that the energy linking a certain atom with any of its nearest neighbors strongly depends on the state of occupancy in the first coordination sphere of such an adatom. The process has been monitored through the adsorption isotherms and the differential heats of adsorption. Different combinations of both inter- and intra-species interactions have been considered in the analysis. Interesting behaviors were observed and discussed in terms of the low temperature phases formed in the system.
Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Nieto Quintas, Felix Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Materia
Adsorption
Binary Mixtures
Non Additive Interactions
Monte Carlo Simulations
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:11336/7371
Acceder
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spelling The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo studyPinto, Oscar AlejandroPasinetti, Pedro MarceloRamirez Pastor, Antonio JoseNieto Quintas, Felix DanielAdsorptionBinary MixturesNon Additive InteractionsMonte Carlo Simulationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model. The traditional assumption of additive lateral interactions is replaced with a more general one including non-pairwise interactions. It is assumed that the energy linking a certain atom with any of its nearest neighbors strongly depends on the state of occupancy in the first coordination sphere of such an adatom. The process has been monitored through the adsorption isotherms and the differential heats of adsorption. Different combinations of both inter- and intra-species interactions have been considered in the analysis. Interesting behaviors were observed and discussed in terms of the low temperature phases formed in the system.Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero; ArgentinaFil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Nieto Quintas, Felix Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaRoyal Society Of Chemistry2014-12info: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/11336/7371Pinto, Oscar Alejandro; Pasinetti, Pedro Marcelo; Ramirez Pastor, Antonio Jose; Nieto Quintas, Felix Daniel; The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study; Royal Society Of Chemistry; Physical Chemistry Chemical Physics; 17; 5; 12-2014; 3050-30581463-9076enginfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp04428b#!divAbstractinfo:eu-repo/semantics/altIdentifier/url/http://dx.doi.org/10.1039/C4CP04428Binfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:10:23Zoai:ri.conicet.gov.ar:11336/7371instacron: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:34982025-09-03 10:10:23.425CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
title The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
spellingShingle The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
Pinto, Oscar Alejandro
Adsorption
Binary Mixtures
Non Additive Interactions
Monte Carlo Simulations
title_short The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
title_full The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
title_fullStr The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
title_full_unstemmed The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
title_sort The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study
dc.creator.none.fl_str_mv Pinto, Oscar Alejandro
Pasinetti, Pedro Marcelo
Ramirez Pastor, Antonio Jose
Nieto Quintas, Felix Daniel
author Pinto, Oscar Alejandro
author_facet Pinto, Oscar Alejandro
Pasinetti, Pedro Marcelo
Ramirez Pastor, Antonio Jose
Nieto Quintas, Felix Daniel
author_role author
author2 Pasinetti, Pedro Marcelo
Ramirez Pastor, Antonio Jose
Nieto Quintas, Felix Daniel
author2_role author
author
author
dc.subject.none.fl_str_mv Adsorption
Binary Mixtures
Non Additive Interactions
Monte Carlo Simulations
topic Adsorption
Binary Mixtures
Non Additive Interactions
Monte Carlo Simulations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model. The traditional assumption of additive lateral interactions is replaced with a more general one including non-pairwise interactions. It is assumed that the energy linking a certain atom with any of its nearest neighbors strongly depends on the state of occupancy in the first coordination sphere of such an adatom. The process has been monitored through the adsorption isotherms and the differential heats of adsorption. Different combinations of both inter- and intra-species interactions have been considered in the analysis. Interesting behaviors were observed and discussed in terms of the low temperature phases formed in the system.
Fil: Pinto, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia de Santiago del Estero; Argentina
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Nieto Quintas, Felix Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
description The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model. The traditional assumption of additive lateral interactions is replaced with a more general one including non-pairwise interactions. It is assumed that the energy linking a certain atom with any of its nearest neighbors strongly depends on the state of occupancy in the first coordination sphere of such an adatom. The process has been monitored through the adsorption isotherms and the differential heats of adsorption. Different combinations of both inter- and intra-species interactions have been considered in the analysis. Interesting behaviors were observed and discussed in terms of the low temperature phases formed in the system.
publishDate 2014
dc.date.none.fl_str_mv 2014-12
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/11336/7371
Pinto, Oscar Alejandro; Pasinetti, Pedro Marcelo; Ramirez Pastor, Antonio Jose; Nieto Quintas, Felix Daniel; The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study; Royal Society Of Chemistry; Physical Chemistry Chemical Physics; 17; 5; 12-2014; 3050-3058
1463-9076
url http://hdl.handle.net/11336/7371
identifier_str_mv Pinto, Oscar Alejandro; Pasinetti, Pedro Marcelo; Ramirez Pastor, Antonio Jose; Nieto Quintas, Felix Daniel; The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study; Royal Society Of Chemistry; Physical Chemistry Chemical Physics; 17; 5; 12-2014; 3050-3058
1463-9076
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp04428b#!divAbstract
info:eu-repo/semantics/altIdentifier/url/http://dx.doi.org/10.1039/C4CP04428B
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 Royal Society Of Chemistry
publisher.none.fl_str_mv Royal Society Of Chemistry
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 13.13397

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