Lattice-gas Monte Carlo study of adsorption in pores

Autores
Trasca, Raluca A.; Calbi, M. Mercedes; Cole, Milton W.; Riccardo, Jose Luis
Año de publicación
2004
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A lattice-gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of sites: (a line of) “axial” sites and surrounding “cylindrical shell” sites, in the ratio 1:7. The adsorption isotherms are calculated in either the grand canonical or canonical ensembles. At low temperature, there occur quasitransitions that would be genuine thermodynamic transitions in mean-field theory. Comparisons between the Monte Carlo and mean-field theory results for the heat capacity and adsorption isotherms are provided.
Fil: Trasca, Raluca A.. State University of Pennsylvania; Estados Unidos
Fil: Calbi, M. Mercedes. State University of Pennsylvania; Estados Unidos
Fil: Cole, Milton W.. State University of Pennsylvania; Estados Unidos
Fil: Riccardo, Jose Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Materia
Lattice-gas
Monte Carlo
adsorption
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:11336/214000
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Lattice-gas Monte Carlo study of adsorption in poresTrasca, Raluca A.Calbi, M. MercedesCole, Milton W.Riccardo, Jose LuisLattice-gasMonte Carloadsorptionhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A lattice-gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of sites: (a line of) “axial” sites and surrounding “cylindrical shell” sites, in the ratio 1:7. The adsorption isotherms are calculated in either the grand canonical or canonical ensembles. At low temperature, there occur quasitransitions that would be genuine thermodynamic transitions in mean-field theory. Comparisons between the Monte Carlo and mean-field theory results for the heat capacity and adsorption isotherms are provided.Fil: Trasca, Raluca A.. State University of Pennsylvania; Estados UnidosFil: Calbi, M. Mercedes. State University of Pennsylvania; Estados UnidosFil: Cole, Milton W.. State University of Pennsylvania; Estados UnidosFil: Riccardo, Jose Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaAmerican Physical Society2004-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/214000Trasca, Raluca A.; Calbi, M. Mercedes; Cole, Milton W.; Riccardo, Jose Luis; Lattice-gas Monte Carlo study of adsorption in pores; American Physical Society; Physical Review E: Statistical Physics, Plasmas, Fluids and Related Interdisciplinary Topics; 69; 1; 12-2004; 116051-1160561063-651XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/pre/abstract/10.1103/PhysRevE.69.011605info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.69.011605info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:47:42Zoai:ri.conicet.gov.ar:11336/214000instacron: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 09:47:42.38CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Lattice-gas Monte Carlo study of adsorption in pores
title Lattice-gas Monte Carlo study of adsorption in pores
spellingShingle Lattice-gas Monte Carlo study of adsorption in pores
Trasca, Raluca A.
Lattice-gas
Monte Carlo
adsorption
title_short Lattice-gas Monte Carlo study of adsorption in pores
title_full Lattice-gas Monte Carlo study of adsorption in pores
title_fullStr Lattice-gas Monte Carlo study of adsorption in pores
title_full_unstemmed Lattice-gas Monte Carlo study of adsorption in pores
title_sort Lattice-gas Monte Carlo study of adsorption in pores
dc.creator.none.fl_str_mv Trasca, Raluca A.
Calbi, M. Mercedes
Cole, Milton W.
Riccardo, Jose Luis
author Trasca, Raluca A.
author_facet Trasca, Raluca A.
Calbi, M. Mercedes
Cole, Milton W.
Riccardo, Jose Luis
author_role author
author2 Calbi, M. Mercedes
Cole, Milton W.
Riccardo, Jose Luis
author2_role author
author
author
dc.subject.none.fl_str_mv Lattice-gas
Monte Carlo
adsorption
topic Lattice-gas
Monte Carlo
adsorption
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A lattice-gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of sites: (a line of) “axial” sites and surrounding “cylindrical shell” sites, in the ratio 1:7. The adsorption isotherms are calculated in either the grand canonical or canonical ensembles. At low temperature, there occur quasitransitions that would be genuine thermodynamic transitions in mean-field theory. Comparisons between the Monte Carlo and mean-field theory results for the heat capacity and adsorption isotherms are provided.
Fil: Trasca, Raluca A.. State University of Pennsylvania; Estados Unidos
Fil: Calbi, M. Mercedes. State University of Pennsylvania; Estados Unidos
Fil: Cole, Milton W.. State University of Pennsylvania; Estados Unidos
Fil: Riccardo, Jose Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
description A lattice-gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of sites: (a line of) “axial” sites and surrounding “cylindrical shell” sites, in the ratio 1:7. The adsorption isotherms are calculated in either the grand canonical or canonical ensembles. At low temperature, there occur quasitransitions that would be genuine thermodynamic transitions in mean-field theory. Comparisons between the Monte Carlo and mean-field theory results for the heat capacity and adsorption isotherms are provided.
publishDate 2004
dc.date.none.fl_str_mv 2004-12
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/11336/214000
Trasca, Raluca A.; Calbi, M. Mercedes; Cole, Milton W.; Riccardo, Jose Luis; Lattice-gas Monte Carlo study of adsorption in pores; American Physical Society; Physical Review E: Statistical Physics, Plasmas, Fluids and Related Interdisciplinary Topics; 69; 1; 12-2004; 116051-116056
1063-651X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/214000
identifier_str_mv Trasca, Raluca A.; Calbi, M. Mercedes; Cole, Milton W.; Riccardo, Jose Luis; Lattice-gas Monte Carlo study of adsorption in pores; American Physical Society; Physical Review E: Statistical Physics, Plasmas, Fluids and Related Interdisciplinary Topics; 69; 1; 12-2004; 116051-116056
1063-651X
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://journals.aps.org/pre/abstract/10.1103/PhysRevE.69.011605
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevE.69.011605
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 American Physical Society
publisher.none.fl_str_mv American Physical Society
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_ 1842268874712547328
score 13.13397

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