An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement

Autores
Urrutia, Ignacio; Castelletti, Gabriela Marta
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This paper presents a modified grand canonical ensemble which provides a new simple and efficientscheme to study few-body fluid-like inhomogeneous systems under confinement. The new formalismis implemented to investigate the exact thermodynamic properties of a hard sphere (HS) fluid-likesystem with up to three particles confined in a spherical cavity. In addition, the partition function ofthis system was used to analyze the surface thermodynamic properties of the many-HS system andto derive the exact curvature dependence of both the surface tension and adsorption in powers of thedensity. The expressions for the surface tension and the adsorption were also obtained for the many-HS system outside of a fixed hard spherical object.We used these results to derive the dependence ofthe fluid-substrate Tolman length up to first order in density.
Fil: Urrutia, Ignacio. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Castelletti, Gabriela Marta. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; Argentina
Materia
Fluidos inhomogeneos
confinamiento
mecanica estadistica
tensor de presion
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:11336/243223
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/243223
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinementUrrutia, IgnacioCastelletti, Gabriela MartaFluidos inhomogeneosconfinamientomecanica estadisticatensor de presionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1This paper presents a modified grand canonical ensemble which provides a new simple and efficientscheme to study few-body fluid-like inhomogeneous systems under confinement. The new formalismis implemented to investigate the exact thermodynamic properties of a hard sphere (HS) fluid-likesystem with up to three particles confined in a spherical cavity. In addition, the partition function ofthis system was used to analyze the surface thermodynamic properties of the many-HS system andto derive the exact curvature dependence of both the surface tension and adsorption in powers of thedensity. The expressions for the surface tension and the adsorption were also obtained for the many-HS system outside of a fixed hard spherical object.We used these results to derive the dependence ofthe fluid-substrate Tolman length up to first order in density.Fil: Urrutia, Ignacio. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Castelletti, Gabriela Marta. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; ArgentinaAmerican Institute of Physics2012-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/243223Urrutia, Ignacio; Castelletti, Gabriela Marta; An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement; American Institute of Physics; Journal of Chemical Physics; 136; 22; 5-2012; 224509-2245150021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.4729249info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:30:47Zoai:ri.conicet.gov.ar:11336/243223instacron: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 10:30:48.184CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
title An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
spellingShingle An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
Urrutia, Ignacio
Fluidos inhomogeneos
confinamiento
mecanica estadistica
tensor de presion
title_short An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
title_full An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
title_fullStr An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
title_full_unstemmed An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
title_sort An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
dc.creator.none.fl_str_mv Urrutia, Ignacio
Castelletti, Gabriela Marta
author Urrutia, Ignacio
author_facet Urrutia, Ignacio
Castelletti, Gabriela Marta
author_role author
author2 Castelletti, Gabriela Marta
author2_role author
dc.subject.none.fl_str_mv Fluidos inhomogeneos
confinamiento
mecanica estadistica
tensor de presion
topic Fluidos inhomogeneos
confinamiento
mecanica estadistica
tensor de presion
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv This paper presents a modified grand canonical ensemble which provides a new simple and efficientscheme to study few-body fluid-like inhomogeneous systems under confinement. The new formalismis implemented to investigate the exact thermodynamic properties of a hard sphere (HS) fluid-likesystem with up to three particles confined in a spherical cavity. In addition, the partition function ofthis system was used to analyze the surface thermodynamic properties of the many-HS system andto derive the exact curvature dependence of both the surface tension and adsorption in powers of thedensity. The expressions for the surface tension and the adsorption were also obtained for the many-HS system outside of a fixed hard spherical object.We used these results to derive the dependence ofthe fluid-substrate Tolman length up to first order in density.
Fil: Urrutia, Ignacio. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Castelletti, Gabriela Marta. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Astronomía y Física del Espacio. - Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Astronomía y Física del Espacio; Argentina
description This paper presents a modified grand canonical ensemble which provides a new simple and efficientscheme to study few-body fluid-like inhomogeneous systems under confinement. The new formalismis implemented to investigate the exact thermodynamic properties of a hard sphere (HS) fluid-likesystem with up to three particles confined in a spherical cavity. In addition, the partition function ofthis system was used to analyze the surface thermodynamic properties of the many-HS system andto derive the exact curvature dependence of both the surface tension and adsorption in powers of thedensity. The expressions for the surface tension and the adsorption were also obtained for the many-HS system outside of a fixed hard spherical object.We used these results to derive the dependence ofthe fluid-substrate Tolman length up to first order in density.
publishDate 2012
dc.date.none.fl_str_mv 2012-05
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/11336/243223
Urrutia, Ignacio; Castelletti, Gabriela Marta; An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement; American Institute of Physics; Journal of Chemical Physics; 136; 22; 5-2012; 224509-224515
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/243223
identifier_str_mv Urrutia, Ignacio; Castelletti, Gabriela Marta; An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement; American Institute of Physics; Journal of Chemical Physics; 136; 22; 5-2012; 224509-224515
0021-9606
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4729249
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
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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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