Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers

Autores
Davila, Mara Veronica; Riccardo, Jose Luis; Ramirez Pastor, Antonio Jose
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In a recent paper [J.L. Riccardo, A. J. Ramirez-Pastor, F. Romá, Phys. Rev. Lett. 94 (2004) 186101], a new fractional statistical theory of adsorption (FSTA) based on Haldane's statistics was presented. Later [M. Dávila, F. Romá, J.L. Riccardo, A.J. Ramirez-Pastor, Surf. Sci. 600 (2006) 2011], a generalization of the classical quasi-chemical approximation (QCA) was developed in which the adsorbate can occupy more than one adsorption site. In this paper, we describe the statistical thermodynamics of interacting polyatomic adsorbates (k-mers) on homogeneous surfaces, by combining FSTA and QCA. The main thermodynamic functions are obtained in terms of two parameters, g and a, which are related directly to the spatial configuration of a polyatomic molecule in the adsorbed state. Analysis of simulated and experimental results have been carried out in order to (i) explore the reach and limitations of the theoretical model and (ii) evince the physical significance of g and a.
Fil: Davila, Mara Veronica. 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
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
Fil: Ramirez Pastor, Antonio Jose. 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
ADSORPTION ISOTHERMS
LATTICE-GAS MODELS
MULTISITE OCCUPANCY
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:11336/136711
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/136711
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mersDavila, Mara VeronicaRiccardo, Jose LuisRamirez Pastor, Antonio JoseADSORPTION ISOTHERMSLATTICE-GAS MODELSMULTISITE OCCUPANCYhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In a recent paper [J.L. Riccardo, A. J. Ramirez-Pastor, F. Romá, Phys. Rev. Lett. 94 (2004) 186101], a new fractional statistical theory of adsorption (FSTA) based on Haldane's statistics was presented. Later [M. Dávila, F. Romá, J.L. Riccardo, A.J. Ramirez-Pastor, Surf. Sci. 600 (2006) 2011], a generalization of the classical quasi-chemical approximation (QCA) was developed in which the adsorbate can occupy more than one adsorption site. In this paper, we describe the statistical thermodynamics of interacting polyatomic adsorbates (k-mers) on homogeneous surfaces, by combining FSTA and QCA. The main thermodynamic functions are obtained in terms of two parameters, g and a, which are related directly to the spatial configuration of a polyatomic molecule in the adsorbed state. Analysis of simulated and experimental results have been carried out in order to (i) explore the reach and limitations of the theoretical model and (ii) evince the physical significance of g and a.Fil: Davila, Mara Veronica. 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"; ArgentinaFil: 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"; ArgentinaFil: Ramirez Pastor, Antonio Jose. 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"; ArgentinaElsevier Science2009-02-15info: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/11336/136711Davila, Mara Veronica; Riccardo, Jose Luis; Ramirez Pastor, Antonio Jose; Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers; Elsevier Science; Surface Science; 603; 4; 15-2-2009; 683-6890039-6028CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0039602809000363info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2008.12.032info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:22:56Zoai:ri.conicet.gov.ar:11336/136711instacron: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:34982025-09-10 13:22:56.491CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
title Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
spellingShingle Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
Davila, Mara Veronica
ADSORPTION ISOTHERMS
LATTICE-GAS MODELS
MULTISITE OCCUPANCY
title_short Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
title_full Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
title_fullStr Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
title_full_unstemmed Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
title_sort Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers
dc.creator.none.fl_str_mv Davila, Mara Veronica
Riccardo, Jose Luis
Ramirez Pastor, Antonio Jose
author Davila, Mara Veronica
author_facet Davila, Mara Veronica
Riccardo, Jose Luis
Ramirez Pastor, Antonio Jose
author_role author
author2 Riccardo, Jose Luis
Ramirez Pastor, Antonio Jose
author2_role author
author
dc.subject.none.fl_str_mv ADSORPTION ISOTHERMS
LATTICE-GAS MODELS
MULTISITE OCCUPANCY
topic ADSORPTION ISOTHERMS
LATTICE-GAS MODELS
MULTISITE OCCUPANCY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In a recent paper [J.L. Riccardo, A. J. Ramirez-Pastor, F. Romá, Phys. Rev. Lett. 94 (2004) 186101], a new fractional statistical theory of adsorption (FSTA) based on Haldane's statistics was presented. Later [M. Dávila, F. Romá, J.L. Riccardo, A.J. Ramirez-Pastor, Surf. Sci. 600 (2006) 2011], a generalization of the classical quasi-chemical approximation (QCA) was developed in which the adsorbate can occupy more than one adsorption site. In this paper, we describe the statistical thermodynamics of interacting polyatomic adsorbates (k-mers) on homogeneous surfaces, by combining FSTA and QCA. The main thermodynamic functions are obtained in terms of two parameters, g and a, which are related directly to the spatial configuration of a polyatomic molecule in the adsorbed state. Analysis of simulated and experimental results have been carried out in order to (i) explore the reach and limitations of the theoretical model and (ii) evince the physical significance of g and a.
Fil: Davila, Mara Veronica. 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
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
Fil: Ramirez Pastor, Antonio Jose. 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 In a recent paper [J.L. Riccardo, A. J. Ramirez-Pastor, F. Romá, Phys. Rev. Lett. 94 (2004) 186101], a new fractional statistical theory of adsorption (FSTA) based on Haldane's statistics was presented. Later [M. Dávila, F. Romá, J.L. Riccardo, A.J. Ramirez-Pastor, Surf. Sci. 600 (2006) 2011], a generalization of the classical quasi-chemical approximation (QCA) was developed in which the adsorbate can occupy more than one adsorption site. In this paper, we describe the statistical thermodynamics of interacting polyatomic adsorbates (k-mers) on homogeneous surfaces, by combining FSTA and QCA. The main thermodynamic functions are obtained in terms of two parameters, g and a, which are related directly to the spatial configuration of a polyatomic molecule in the adsorbed state. Analysis of simulated and experimental results have been carried out in order to (i) explore the reach and limitations of the theoretical model and (ii) evince the physical significance of g and a.
publishDate 2009
dc.date.none.fl_str_mv 2009-02-15
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/11336/136711
Davila, Mara Veronica; Riccardo, Jose Luis; Ramirez Pastor, Antonio Jose; Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers; Elsevier Science; Surface Science; 603; 4; 15-2-2009; 683-689
0039-6028
CONICET Digital
CONICET
url http://hdl.handle.net/11336/136711
identifier_str_mv Davila, Mara Veronica; Riccardo, Jose Luis; Ramirez Pastor, Antonio Jose; Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers; Elsevier Science; Surface Science; 603; 4; 15-2-2009; 683-689
0039-6028
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/S0039602809000363
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2008.12.032
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
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score 12.48226

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