Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations

Autores
Lago, Diana Carolina; Nuñez, Matias; Prado, Miguel Oscar
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The disposal of nuclear wastes is an issue of global concern due to the physicochemical and radiologic properties of some isotopes. Cesium radionuclides exhibit high solubility and some of them pose a long half-life. This work focuses on the study of Cs+ adsorption on the surface of a porous silica glass. Adsorption experiments were done at room temperature using aqueous solutions with concentrations of 0.1 and 0.5 M of CsCl at pH = 5 and surface area to volume of 0.1 cm- 1. In these conditions, 14 and 18 mgCs/gSiO2 were adsorbed, respectively. The adsorbed quantity of Cs+ was determined by atomic absorption spectroscopy (AAS) analyzing the quantity of Cs+ contained in the solution before and after adsorption experiments. The Cs+/Cl- ratio at a glass cross section surface, determined by energy dispersive spectroscopy analysis, is near 6. In addition, first principle calculations were performed, in order to determine charge transfer and location of the active sites for Cs+ and Cl-. Adhesion energy values are presented, which explain the experimental values found for the Cs+/Cl- concentration ratio at the silica glass surface. The parameters calculated from experimental and ab-initio calculations results were used to explain the adsorption mechanism.
Fil: Lago, Diana Carolina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Nuñez, Matias. Universidad Nacional de Cuyo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Prado, Miguel Oscar. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Materia
Adsorption
Density Functional
Glass
Porous Silica
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/39676
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculationsLago, Diana CarolinaNuñez, MatiasPrado, Miguel OscarAdsorptionDensity FunctionalGlassPorous Silicahttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2The disposal of nuclear wastes is an issue of global concern due to the physicochemical and radiologic properties of some isotopes. Cesium radionuclides exhibit high solubility and some of them pose a long half-life. This work focuses on the study of Cs+ adsorption on the surface of a porous silica glass. Adsorption experiments were done at room temperature using aqueous solutions with concentrations of 0.1 and 0.5 M of CsCl at pH = 5 and surface area to volume of 0.1 cm- 1. In these conditions, 14 and 18 mgCs/gSiO2 were adsorbed, respectively. The adsorbed quantity of Cs+ was determined by atomic absorption spectroscopy (AAS) analyzing the quantity of Cs+ contained in the solution before and after adsorption experiments. The Cs+/Cl- ratio at a glass cross section surface, determined by energy dispersive spectroscopy analysis, is near 6. In addition, first principle calculations were performed, in order to determine charge transfer and location of the active sites for Cs+ and Cl-. Adhesion energy values are presented, which explain the experimental values found for the Cs+/Cl- concentration ratio at the silica glass surface. The parameters calculated from experimental and ab-initio calculations results were used to explain the adsorption mechanism.Fil: Lago, Diana Carolina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Nuñez, Matias. Universidad Nacional de Cuyo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Prado, Miguel Oscar. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaElsevier Science2016-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/39676Lago, Diana Carolina; Nuñez, Matias; Prado, Miguel Oscar; Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations; Elsevier Science; Journal of Non-crystalline Solids; 440; 5-2016; 70-750022-3093CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jnoncrysol.2016.02.020info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022309316300400info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:44:17Zoai:ri.conicet.gov.ar:11336/39676instacron: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 09:44:17.961CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
title Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
spellingShingle Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
Lago, Diana Carolina
Adsorption
Density Functional
Glass
Porous Silica
title_short Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
title_full Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
title_fullStr Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
title_full_unstemmed Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
title_sort Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations
dc.creator.none.fl_str_mv Lago, Diana Carolina
Nuñez, Matias
Prado, Miguel Oscar
author Lago, Diana Carolina
author_facet Lago, Diana Carolina
Nuñez, Matias
Prado, Miguel Oscar
author_role author
author2 Nuñez, Matias
Prado, Miguel Oscar
author2_role author
author
dc.subject.none.fl_str_mv Adsorption
Density Functional
Glass
Porous Silica
topic Adsorption
Density Functional
Glass
Porous Silica
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv The disposal of nuclear wastes is an issue of global concern due to the physicochemical and radiologic properties of some isotopes. Cesium radionuclides exhibit high solubility and some of them pose a long half-life. This work focuses on the study of Cs+ adsorption on the surface of a porous silica glass. Adsorption experiments were done at room temperature using aqueous solutions with concentrations of 0.1 and 0.5 M of CsCl at pH = 5 and surface area to volume of 0.1 cm- 1. In these conditions, 14 and 18 mgCs/gSiO2 were adsorbed, respectively. The adsorbed quantity of Cs+ was determined by atomic absorption spectroscopy (AAS) analyzing the quantity of Cs+ contained in the solution before and after adsorption experiments. The Cs+/Cl- ratio at a glass cross section surface, determined by energy dispersive spectroscopy analysis, is near 6. In addition, first principle calculations were performed, in order to determine charge transfer and location of the active sites for Cs+ and Cl-. Adhesion energy values are presented, which explain the experimental values found for the Cs+/Cl- concentration ratio at the silica glass surface. The parameters calculated from experimental and ab-initio calculations results were used to explain the adsorption mechanism.
Fil: Lago, Diana Carolina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Nuñez, Matias. Universidad Nacional de Cuyo; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Prado, Miguel Oscar. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
description The disposal of nuclear wastes is an issue of global concern due to the physicochemical and radiologic properties of some isotopes. Cesium radionuclides exhibit high solubility and some of them pose a long half-life. This work focuses on the study of Cs+ adsorption on the surface of a porous silica glass. Adsorption experiments were done at room temperature using aqueous solutions with concentrations of 0.1 and 0.5 M of CsCl at pH = 5 and surface area to volume of 0.1 cm- 1. In these conditions, 14 and 18 mgCs/gSiO2 were adsorbed, respectively. The adsorbed quantity of Cs+ was determined by atomic absorption spectroscopy (AAS) analyzing the quantity of Cs+ contained in the solution before and after adsorption experiments. The Cs+/Cl- ratio at a glass cross section surface, determined by energy dispersive spectroscopy analysis, is near 6. In addition, first principle calculations were performed, in order to determine charge transfer and location of the active sites for Cs+ and Cl-. Adhesion energy values are presented, which explain the experimental values found for the Cs+/Cl- concentration ratio at the silica glass surface. The parameters calculated from experimental and ab-initio calculations results were used to explain the adsorption mechanism.
publishDate 2016
dc.date.none.fl_str_mv 2016-05
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/11336/39676
Lago, Diana Carolina; Nuñez, Matias; Prado, Miguel Oscar; Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations; Elsevier Science; Journal of Non-crystalline Solids; 440; 5-2016; 70-75
0022-3093
CONICET Digital
CONICET
url http://hdl.handle.net/11336/39676
identifier_str_mv Lago, Diana Carolina; Nuñez, Matias; Prado, Miguel Oscar; Adsorption of CsCl on porous SiO2 glass surface: Experimental results and ab-initio calculations; Elsevier Science; Journal of Non-crystalline Solids; 440; 5-2016; 70-75
0022-3093
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jnoncrysol.2016.02.020
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022309316300400
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv 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 13.070432

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