Configurational Entropy in k -mer Adsorption
- Autores
- Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis
- Año de publicación
- 2000
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The general basis for accurate calculations of k-mer lattice gases' configurational entropy is presented. The method relies on the definition of an artificial Hamiltonian from the system of interest. By Monte Carlo calculation of mean total energy followed by thermodynamic integration from a reference state of the artificial Hamiltonian, the entropy of a state of interest can be obtained for the physical system under consideration. Entropy of interacting dimers (k = 2) and linear trimers (k = 3) on one- and two-dimensional regular lattices are shown. The entropy of bended (L-shaped) trimers is investigated as well. Interesting characteristics of the coverage and temperature dependence of entropy in these systems are displayed 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; Argentina
Fil: 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; Argentina
Fil: 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; Argentina - Materia
-
k-mer Adsorption
Configurational Entropy - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/156279
Ver los metadatos del registro completo
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Configurational Entropy in k -mer AdsorptionRomá, Federico JoséRamirez Pastor, Antonio JoseRiccardo, Jose Luisk-mer AdsorptionConfigurational Entropyhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The general basis for accurate calculations of k-mer lattice gases' configurational entropy is presented. The method relies on the definition of an artificial Hamiltonian from the system of interest. By Monte Carlo calculation of mean total energy followed by thermodynamic integration from a reference state of the artificial Hamiltonian, the entropy of a state of interest can be obtained for the physical system under consideration. Entropy of interacting dimers (k = 2) and linear trimers (k = 3) on one- and two-dimensional regular lattices are shown. The entropy of bended (L-shaped) trimers is investigated as well. Interesting characteristics of the coverage and temperature dependence of entropy in these systems are displayed 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 Chemical Society2000-10-31info: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/11336/156279Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; Configurational Entropy in k -mer Adsorption; American Chemical Society; Langmuir; 16; 24; 31-10-2000; 9406-94090743-74631520-5827CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/la000229sinfo:eu-repo/semantics/altIdentifier/doi/10.1021/la000229sinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:59:00Zoai:ri.conicet.gov.ar:11336/156279instacron: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 09:59:00.603CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Configurational Entropy in k -mer Adsorption |
title |
Configurational Entropy in k -mer Adsorption |
spellingShingle |
Configurational Entropy in k -mer Adsorption Romá, Federico José k-mer Adsorption Configurational Entropy |
title_short |
Configurational Entropy in k -mer Adsorption |
title_full |
Configurational Entropy in k -mer Adsorption |
title_fullStr |
Configurational Entropy in k -mer Adsorption |
title_full_unstemmed |
Configurational Entropy in k -mer Adsorption |
title_sort |
Configurational Entropy in k -mer Adsorption |
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 |
k-mer Adsorption Configurational Entropy |
topic |
k-mer Adsorption Configurational Entropy |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
The general basis for accurate calculations of k-mer lattice gases' configurational entropy is presented. The method relies on the definition of an artificial Hamiltonian from the system of interest. By Monte Carlo calculation of mean total energy followed by thermodynamic integration from a reference state of the artificial Hamiltonian, the entropy of a state of interest can be obtained for the physical system under consideration. Entropy of interacting dimers (k = 2) and linear trimers (k = 3) on one- and two-dimensional regular lattices are shown. The entropy of bended (L-shaped) trimers is investigated as well. Interesting characteristics of the coverage and temperature dependence of entropy in these systems are displayed 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; Argentina Fil: 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; Argentina Fil: 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; Argentina |
description |
The general basis for accurate calculations of k-mer lattice gases' configurational entropy is presented. The method relies on the definition of an artificial Hamiltonian from the system of interest. By Monte Carlo calculation of mean total energy followed by thermodynamic integration from a reference state of the artificial Hamiltonian, the entropy of a state of interest can be obtained for the physical system under consideration. Entropy of interacting dimers (k = 2) and linear trimers (k = 3) on one- and two-dimensional regular lattices are shown. The entropy of bended (L-shaped) trimers is investigated as well. Interesting characteristics of the coverage and temperature dependence of entropy in these systems are displayed and discussed. |
publishDate |
2000 |
dc.date.none.fl_str_mv |
2000-10-31 |
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/11336/156279 Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; Configurational Entropy in k -mer Adsorption; American Chemical Society; Langmuir; 16; 24; 31-10-2000; 9406-9409 0743-7463 1520-5827 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/156279 |
identifier_str_mv |
Romá, Federico José; Ramirez Pastor, Antonio Jose; Riccardo, Jose Luis; Configurational Entropy in k -mer Adsorption; American Chemical Society; Langmuir; 16; 24; 31-10-2000; 9406-9409 0743-7463 1520-5827 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://pubs.acs.org/doi/10.1021/la000229s info:eu-repo/semantics/altIdentifier/doi/10.1021/la000229s |
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 Chemical Society |
publisher.none.fl_str_mv |
American Chemical Society |
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reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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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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13.13397 |