Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations

Autores
Barrera Diaz, Deicy Amparo; Davila, Mara Veronica; Cornette, Valeria Cecilia; Alexandre de Oliveira, José Carlos; López, Raúl Horacio; Sapag, Manuel Karim
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The design and study of new materials with specific properties is interesting in several scientific and technological fields. In the last years, nanostructured carbons (NC) have rapidly attracted the attention of some researchers due to their physicochemical properties useful for many applications among them in adsorption and catalysis. In this work, the synthesis of a NC was carried out by a nanocasting method, using as a template a very ordered mesoporous material (SBA-15) and sucrose as carbon source. The final material consists of an ordered arrangement of parallel carbon nanorods bonded with some carbon nanowires (CMK-3 type), formed in the mesopores and micropores of the inorganic matrix. The inorganic matrix and the NC were structurally characterized by X-ray diffraction, texturally by N2 sorption at 77 K, and morphologically by scanning electron microscopy. The Nitrogen experimental isotherms were simulated using Grand Canonical Monte Carlo (GCMC) method based on two kernels using slit and cylindrical pore models. From these models were obtained the pore size distributions (PSD) which were compared with those obtained by Quenched Solid Density Functional Theory (QSDFT) model. The GCMC simulation showed a good agreement with experimental adsorption isotherms and some differences with the corresponding pore size distribution obtained by Density Functional Theories Methods. These correlations validate the presented GCMC method as an alternative to study in detail the porosity of these materials
Fil: Barrera Diaz, Deicy Amparo. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Davila, Mara Veronica. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Cornette, Valeria Cecilia. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Alexandre de Oliveira, José Carlos. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: López, Raúl Horacio. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Sapag, Manuel Karim. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Materia
Nanostructured Carbon
Pore Size Distribution
Grand Canonical Monte Carlo
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:11336/5645
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo SimulationsBarrera Diaz, Deicy AmparoDavila, Mara VeronicaCornette, Valeria CeciliaAlexandre de Oliveira, José CarlosLópez, Raúl HoracioSapag, Manuel KarimNanostructured CarbonPore Size DistributionGrand Canonical Monte Carlohttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The design and study of new materials with specific properties is interesting in several scientific and technological fields. In the last years, nanostructured carbons (NC) have rapidly attracted the attention of some researchers due to their physicochemical properties useful for many applications among them in adsorption and catalysis. In this work, the synthesis of a NC was carried out by a nanocasting method, using as a template a very ordered mesoporous material (SBA-15) and sucrose as carbon source. The final material consists of an ordered arrangement of parallel carbon nanorods bonded with some carbon nanowires (CMK-3 type), formed in the mesopores and micropores of the inorganic matrix. The inorganic matrix and the NC were structurally characterized by X-ray diffraction, texturally by N2 sorption at 77 K, and morphologically by scanning electron microscopy. The Nitrogen experimental isotherms were simulated using Grand Canonical Monte Carlo (GCMC) method based on two kernels using slit and cylindrical pore models. From these models were obtained the pore size distributions (PSD) which were compared with those obtained by Quenched Solid Density Functional Theory (QSDFT) model. The GCMC simulation showed a good agreement with experimental adsorption isotherms and some differences with the corresponding pore size distribution obtained by Density Functional Theories Methods. These correlations validate the presented GCMC method as an alternative to study in detail the porosity of these materialsFil: Barrera Diaz, Deicy Amparo. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Davila, Mara Veronica. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Cornette, Valeria Cecilia. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Alexandre de Oliveira, José Carlos. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: López, Raúl Horacio. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaFil: Sapag, Manuel Karim. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; ArgentinaElsevier2013-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5645Barrera Diaz, Deicy Amparo; Davila, Mara Veronica; Cornette, Valeria Cecilia; Alexandre de Oliveira, José Carlos; López, Raúl Horacio; et al.; Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations; Elsevier; Microporous and Mesoporous Materials; 180; 6-2013; 71-781387-1811enginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.micromeso.2013.06.028info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1387181113003181info:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:45:18Zoai:ri.conicet.gov.ar:11336/5645instacron: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 09:45:18.76CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
title Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
spellingShingle Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
Barrera Diaz, Deicy Amparo
Nanostructured Carbon
Pore Size Distribution
Grand Canonical Monte Carlo
title_short Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
title_full Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
title_fullStr Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
title_full_unstemmed Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
title_sort Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations
dc.creator.none.fl_str_mv Barrera Diaz, Deicy Amparo
Davila, Mara Veronica
Cornette, Valeria Cecilia
Alexandre de Oliveira, José Carlos
López, Raúl Horacio
Sapag, Manuel Karim
author Barrera Diaz, Deicy Amparo
author_facet Barrera Diaz, Deicy Amparo
Davila, Mara Veronica
Cornette, Valeria Cecilia
Alexandre de Oliveira, José Carlos
López, Raúl Horacio
Sapag, Manuel Karim
author_role author
author2 Davila, Mara Veronica
Cornette, Valeria Cecilia
Alexandre de Oliveira, José Carlos
López, Raúl Horacio
Sapag, Manuel Karim
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Nanostructured Carbon
Pore Size Distribution
Grand Canonical Monte Carlo
topic Nanostructured Carbon
Pore Size Distribution
Grand Canonical Monte Carlo
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 design and study of new materials with specific properties is interesting in several scientific and technological fields. In the last years, nanostructured carbons (NC) have rapidly attracted the attention of some researchers due to their physicochemical properties useful for many applications among them in adsorption and catalysis. In this work, the synthesis of a NC was carried out by a nanocasting method, using as a template a very ordered mesoporous material (SBA-15) and sucrose as carbon source. The final material consists of an ordered arrangement of parallel carbon nanorods bonded with some carbon nanowires (CMK-3 type), formed in the mesopores and micropores of the inorganic matrix. The inorganic matrix and the NC were structurally characterized by X-ray diffraction, texturally by N2 sorption at 77 K, and morphologically by scanning electron microscopy. The Nitrogen experimental isotherms were simulated using Grand Canonical Monte Carlo (GCMC) method based on two kernels using slit and cylindrical pore models. From these models were obtained the pore size distributions (PSD) which were compared with those obtained by Quenched Solid Density Functional Theory (QSDFT) model. The GCMC simulation showed a good agreement with experimental adsorption isotherms and some differences with the corresponding pore size distribution obtained by Density Functional Theories Methods. These correlations validate the presented GCMC method as an alternative to study in detail the porosity of these materials
Fil: Barrera Diaz, Deicy Amparo. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Davila, Mara Veronica. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Cornette, Valeria Cecilia. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Alexandre de Oliveira, José Carlos. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: López, Raúl Horacio. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
Fil: Sapag, Manuel Karim. Universidad Nacional de San Luis. Facultad de Cs.fisico Matematicas y Naturales. Laboratorio de Cs.de Superficies y Medios Porosos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
description The design and study of new materials with specific properties is interesting in several scientific and technological fields. In the last years, nanostructured carbons (NC) have rapidly attracted the attention of some researchers due to their physicochemical properties useful for many applications among them in adsorption and catalysis. In this work, the synthesis of a NC was carried out by a nanocasting method, using as a template a very ordered mesoporous material (SBA-15) and sucrose as carbon source. The final material consists of an ordered arrangement of parallel carbon nanorods bonded with some carbon nanowires (CMK-3 type), formed in the mesopores and micropores of the inorganic matrix. The inorganic matrix and the NC were structurally characterized by X-ray diffraction, texturally by N2 sorption at 77 K, and morphologically by scanning electron microscopy. The Nitrogen experimental isotherms were simulated using Grand Canonical Monte Carlo (GCMC) method based on two kernels using slit and cylindrical pore models. From these models were obtained the pore size distributions (PSD) which were compared with those obtained by Quenched Solid Density Functional Theory (QSDFT) model. The GCMC simulation showed a good agreement with experimental adsorption isotherms and some differences with the corresponding pore size distribution obtained by Density Functional Theories Methods. These correlations validate the presented GCMC method as an alternative to study in detail the porosity of these materials
publishDate 2013
dc.date.none.fl_str_mv 2013-06
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/11336/5645
Barrera Diaz, Deicy Amparo; Davila, Mara Veronica; Cornette, Valeria Cecilia; Alexandre de Oliveira, José Carlos; López, Raúl Horacio; et al.; Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations; Elsevier; Microporous and Mesoporous Materials; 180; 6-2013; 71-78
1387-1811
url http://hdl.handle.net/11336/5645
identifier_str_mv Barrera Diaz, Deicy Amparo; Davila, Mara Veronica; Cornette, Valeria Cecilia; Alexandre de Oliveira, José Carlos; López, Raúl Horacio; et al.; Pore Size Distribution of Ordered Nanostructured Carbon CMK-3 by means of Experimental Techniques and Monte Carlo Simulations; Elsevier; Microporous and Mesoporous Materials; 180; 6-2013; 71-78
1387-1811
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.micromeso.2013.06.028
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1387181113003181
info:eu-repo/semantics/altIdentifier/doi/
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
publisher.none.fl_str_mv Elsevier
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 13.13397

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