Configurational entropy of adsorbed linear species (k- mers)

The configurational entropy of interacting linear molecules (k-mers) absorbed on a regular lattice is addressed through analytical as well as numerical methods. The general definitions for computational exact calculations of k-mers lattice-gas entropy are presented. In addition, theoretical basis fo...

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Detalles Bibliográficos
Autores: Romá, Federico José, Ramirez Pastor, Antonio Jose, Riccardo, Jose Luis
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2001
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/156278
Acceso en línea:http://hdl.handle.net/11336/156278
Access Level:acceso abierto
Palabra clave:Configurational entropy
Adsorbed linear species
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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spelling Configurational entropy of adsorbed linear species (k- mers)Romá, Federico JoséRamirez Pastor, Antonio JoseRiccardo, Jose LuisConfigurational entropyAdsorbed linear specieshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The configurational entropy of interacting linear molecules (k-mers) absorbed on a regular lattice is addressed through analytical as well as numerical methods. The general definitions for computational exact calculations of k-mers lattice-gas entropy are presented. In addition, theoretical basis for accurate analytical estimations of the entropy of reference states are given. The coverage and temperature dependence of the configurational entropy of interacting adsorbed dimers on one and two-dimensional lattices are obtained. A novel phase behavior of k-mers lattice-gas is shown and discussed.Fil: Romá, Federico José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; ArgentinaFil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; ArgentinaFil: Riccardo, Jose Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; ArgentinaAmerican Institute of Physics2001-06-11info: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/11336/156278Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; Configurational entropy of adsorbed linear species (k- mers); American Institute of Physics; Journal of Chemical Physics; 114; 24; 11-6-2001; 10932-109370021-96061089-7690CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.1372187info:eu-repo/semantics/altIdentifier/doi/10.1063/1.1372187info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T13:52:43Zoai:ri.conicet.gov.ar:11336/156278instacron: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:34982024-05-08 13:52:43.608CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Configurational entropy of adsorbed linear species (k- mers)
title Configurational entropy of adsorbed linear species (k- mers)
spellingShingle Configurational entropy of adsorbed linear species (k- mers)
Romá, Federico José
Configurational entropy
Adsorbed linear species
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
title_short Configurational entropy of adsorbed linear species (k- mers)
title_full Configurational entropy of adsorbed linear species (k- mers)
title_fullStr Configurational entropy of adsorbed linear species (k- mers)
title_full_unstemmed Configurational entropy of adsorbed linear species (k- mers)
title_sort Configurational entropy of adsorbed linear species (k- mers)
dc.creator.none.fl_str_mv Romá, Federico José
Ramirez Pastor, Antonio Jose
Riccardo, Jose Luis
author Romá, Federico José
author_facet Romá, Federico José
Ramirez Pastor, Antonio Jose
Riccardo, Jose Luis
author_role author
author2 Ramirez Pastor, Antonio Jose
Riccardo, Jose Luis
author2_role author
author
dc.subject.none.fl_str_mv Configurational entropy
Adsorbed linear species
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic Configurational entropy
Adsorbed linear species
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
description The configurational entropy of interacting linear molecules (k-mers) absorbed on a regular lattice is addressed through analytical as well as numerical methods. The general definitions for computational exact calculations of k-mers lattice-gas entropy are presented. In addition, theoretical basis for accurate analytical estimations of the entropy of reference states are given. The coverage and temperature dependence of the configurational entropy of interacting adsorbed dimers on one and two-dimensional lattices are obtained. A novel phase behavior of k-mers lattice-gas is shown and discussed.
publishDate 2001
dc.date.none.fl_str_mv 2001-06-11
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/11336/156278
Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; Configurational entropy of adsorbed linear species (k- mers); American Institute of Physics; Journal of Chemical Physics; 114; 24; 11-6-2001; 10932-10937
0021-9606
1089-7690
CONICET Digital
CONICET
url http://hdl.handle.net/11336/156278
identifier_str_mv Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; Configurational entropy of adsorbed linear species (k- mers); American Institute of Physics; Journal of Chemical Physics; 114; 24; 11-6-2001; 10932-10937
0021-9606
1089-7690
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://aip.scitation.org/doi/10.1063/1.1372187
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.1372187
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/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
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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 15.81155

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