A semiempirical model for adsorption of binary mixtures

Autores
Matoz Fernandez, Daniel Alejandro; Ramirez Pastor, Antonio Jose; Pasinetti, Pedro Marcelo; Davila, Mara Veronica
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The statistical thermodynamics of polyatomic species mixtures adsorbed on two-dimensional lattices was developed based on generalization of the semiempirical approximation for the adsorption of single components [Romá, F. et al., Langmuir, 2006, 22, 3192–3197]. In this scheme, the partial adsorption isotherms are obtained using a correction function C with combining tilde], which relates to the conditional probability of finding the ith empty site to a lattice with i − 1 already vacant sites. This approximation allows us to write a new theoretical model using a combination of the correction functions corresponding to exact 1-D calculations and the Guggenheim–DiMarzio approach. Finally, comparisons with MC simulations and experimental data of methane–ethane and ethane–propylene mixtures on activated carbon are used to test the accuracy and reliability of the proposed model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat adsorption of interacting binary mixtures of polyatomics.
Fil: Matoz Fernandez, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Davila, Mara Veronica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Materia
Adsorption
Binary Mixtures
Monte Carlo Simulations
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:11336/5685
Acceder
id CONICETDig_5da90fd23bf96bd34834209b9629d2bd
oai_identifier_str oai:ri.conicet.gov.ar:11336/5685
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling A semiempirical model for adsorption of binary mixturesMatoz Fernandez, Daniel AlejandroRamirez Pastor, Antonio JosePasinetti, Pedro MarceloDavila, Mara VeronicaAdsorptionBinary MixturesMonte Carlo Simulationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The statistical thermodynamics of polyatomic species mixtures adsorbed on two-dimensional lattices was developed based on generalization of the semiempirical approximation for the adsorption of single components [Romá, F. et al., Langmuir, 2006, 22, 3192–3197]. In this scheme, the partial adsorption isotherms are obtained using a correction function C with combining tilde], which relates to the conditional probability of finding the ith empty site to a lattice with i − 1 already vacant sites. This approximation allows us to write a new theoretical model using a combination of the correction functions corresponding to exact 1-D calculations and the Guggenheim–DiMarzio approach. Finally, comparisons with MC simulations and experimental data of methane–ethane and ethane–propylene mixtures on activated carbon are used to test the accuracy and reliability of the proposed model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat adsorption of interacting binary mixtures of polyatomics.Fil: Matoz Fernandez, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Davila, Mara Veronica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaRoyal Society of Chemistry2014-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5685Matoz Fernandez, Daniel Alejandro; Ramirez Pastor, Antonio Jose; Pasinetti, Pedro Marcelo; Davila, Mara Veronica; A semiempirical model for adsorption of binary mixtures; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 16; 43; 11-2014; 24063-240681463-9076enginfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/is/content/articlelanding/2014/cp/c4cp03456b#!divAbstractinfo:eu-repo/semantics/altIdentifier/doi/10.1039/C4CP03456Binfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:46:21Zoai:ri.conicet.gov.ar:11336/5685instacron: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 09:46:21.522CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A semiempirical model for adsorption of binary mixtures
title A semiempirical model for adsorption of binary mixtures
spellingShingle A semiempirical model for adsorption of binary mixtures
Matoz Fernandez, Daniel Alejandro
Adsorption
Binary Mixtures
Monte Carlo Simulations
title_short A semiempirical model for adsorption of binary mixtures
title_full A semiempirical model for adsorption of binary mixtures
title_fullStr A semiempirical model for adsorption of binary mixtures
title_full_unstemmed A semiempirical model for adsorption of binary mixtures
title_sort A semiempirical model for adsorption of binary mixtures
dc.creator.none.fl_str_mv Matoz Fernandez, Daniel Alejandro
Ramirez Pastor, Antonio Jose
Pasinetti, Pedro Marcelo
Davila, Mara Veronica
author Matoz Fernandez, Daniel Alejandro
author_facet Matoz Fernandez, Daniel Alejandro
Ramirez Pastor, Antonio Jose
Pasinetti, Pedro Marcelo
Davila, Mara Veronica
author_role author
author2 Ramirez Pastor, Antonio Jose
Pasinetti, Pedro Marcelo
Davila, Mara Veronica
author2_role author
author
author
dc.subject.none.fl_str_mv Adsorption
Binary Mixtures
Monte Carlo Simulations
topic Adsorption
Binary Mixtures
Monte Carlo Simulations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The statistical thermodynamics of polyatomic species mixtures adsorbed on two-dimensional lattices was developed based on generalization of the semiempirical approximation for the adsorption of single components [Romá, F. et al., Langmuir, 2006, 22, 3192–3197]. In this scheme, the partial adsorption isotherms are obtained using a correction function C with combining tilde], which relates to the conditional probability of finding the ith empty site to a lattice with i − 1 already vacant sites. This approximation allows us to write a new theoretical model using a combination of the correction functions corresponding to exact 1-D calculations and the Guggenheim–DiMarzio approach. Finally, comparisons with MC simulations and experimental data of methane–ethane and ethane–propylene mixtures on activated carbon are used to test the accuracy and reliability of the proposed model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat adsorption of interacting binary mixtures of polyatomics.
Fil: Matoz Fernandez, Daniel Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Davila, Mara Veronica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
description The statistical thermodynamics of polyatomic species mixtures adsorbed on two-dimensional lattices was developed based on generalization of the semiempirical approximation for the adsorption of single components [Romá, F. et al., Langmuir, 2006, 22, 3192–3197]. In this scheme, the partial adsorption isotherms are obtained using a correction function C with combining tilde], which relates to the conditional probability of finding the ith empty site to a lattice with i − 1 already vacant sites. This approximation allows us to write a new theoretical model using a combination of the correction functions corresponding to exact 1-D calculations and the Guggenheim–DiMarzio approach. Finally, comparisons with MC simulations and experimental data of methane–ethane and ethane–propylene mixtures on activated carbon are used to test the accuracy and reliability of the proposed model. The obtained results indicate that the new thermodynamic description is significantly better than the existing theoretical models developed to treat adsorption of interacting binary mixtures of polyatomics.
publishDate 2014
dc.date.none.fl_str_mv 2014-11
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/11336/5685
Matoz Fernandez, Daniel Alejandro; Ramirez Pastor, Antonio Jose; Pasinetti, Pedro Marcelo; Davila, Mara Veronica; A semiempirical model for adsorption of binary mixtures; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 16; 43; 11-2014; 24063-24068
1463-9076
url http://hdl.handle.net/11336/5685
identifier_str_mv Matoz Fernandez, Daniel Alejandro; Ramirez Pastor, Antonio Jose; Pasinetti, Pedro Marcelo; Davila, Mara Veronica; A semiempirical model for adsorption of binary mixtures; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 16; 43; 11-2014; 24063-24068
1463-9076
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/is/content/articlelanding/2014/cp/c4cp03456b#!divAbstract
info:eu-repo/semantics/altIdentifier/doi/10.1039/C4CP03456B
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
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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_ 1842268788688420864
score 13.13397

Publicaciones similares