Characterization of PSD of activated carbons by using slit and triangular pore geometries

Autores
Azevedo, D. C. S.; Rios, R. B.; López, Raúl Horacio; Torres, A. E. B.; Cavalcante, C. L.; Toso, J. P.; Zgrablich, Jorge Andres
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A mixed geometry model for activated carbons, representing the porous space as a collection of an undetermined proportion of slit and triangular pores, is developed, evaluated theoretically and applied to the characterization of a controlled series of samples of activated carbon obtained from the same precursor material. A method is proposed for the determination of the Pore Size Distribution (PSD) for such a mixed geometry model, leading to the unique determination of the proportion of pores of the two geometries fitting adsorption data. By using the Grand Canonical Monte Carlo (GCMC) simulation method in the continuum space, families of N2 adsorption isotherms are generated both for slit and triangular geometry corresponding to different pore sizes. The problem of the uniqueness in the determination of the PSD by fitting an adsorption isotherm using the mixed geometry model is then discussed and the effects of the addition of triangular pores on the PSD are analyzed by performing a test where the adsorption isotherm corresponding to the known PSD is generated and used as the “experimental” isotherm. It is found that a pure slit geometry model would widen the PSD and shift it to smaller sizes, whereas a pure triangular geometry model would produce the opposite effect. The slit and triangular geometry families of isotherms are finally used to the fit experimental N2 adsorption data corresponding to a family of activated carbons obtained from coconut shells through a one-step chemical activation process with phosphoric acid in air, allowing for the determination of the micropore volume, the proportion of slit and triangular pores and the PSD corresponding to the mixed geometry. The same experimental data were fit using both the conventional slit pore model and the mixed geometry model. From the analysis of the effect of different preparation procedures on the resulting PSDs, it is concluded that the proposed mixed geometry model may probably better capture the morphology and energetics of activated carbons prepared by chemical activation under mild temperatures.
Fil: Azevedo, D. C. S.. Universidade Federal do Ceará; Brasil
Fil: Rios, R. B.. Universidade Federal do Ceará; Brasil
Fil: López, Raúl Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Torres, A. E. B.. Universidade Federal do Ceará; Brasil
Fil: Cavalcante, C. L.. Universidade Federal do Ceará; Brasil
Fil: Toso, J. P.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Materia
Psd
Activated Carbon
Phosphoric Acid
Mixed Geometry
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:11336/14106
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/14106
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Characterization of PSD of activated carbons by using slit and triangular pore geometriesAzevedo, D. C. S.Rios, R. B.López, Raúl HoracioTorres, A. E. B.Cavalcante, C. L.Toso, J. P.Zgrablich, Jorge AndresPsdActivated CarbonPhosphoric AcidMixed Geometryhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A mixed geometry model for activated carbons, representing the porous space as a collection of an undetermined proportion of slit and triangular pores, is developed, evaluated theoretically and applied to the characterization of a controlled series of samples of activated carbon obtained from the same precursor material. A method is proposed for the determination of the Pore Size Distribution (PSD) for such a mixed geometry model, leading to the unique determination of the proportion of pores of the two geometries fitting adsorption data. By using the Grand Canonical Monte Carlo (GCMC) simulation method in the continuum space, families of N2 adsorption isotherms are generated both for slit and triangular geometry corresponding to different pore sizes. The problem of the uniqueness in the determination of the PSD by fitting an adsorption isotherm using the mixed geometry model is then discussed and the effects of the addition of triangular pores on the PSD are analyzed by performing a test where the adsorption isotherm corresponding to the known PSD is generated and used as the “experimental” isotherm. It is found that a pure slit geometry model would widen the PSD and shift it to smaller sizes, whereas a pure triangular geometry model would produce the opposite effect. The slit and triangular geometry families of isotherms are finally used to the fit experimental N2 adsorption data corresponding to a family of activated carbons obtained from coconut shells through a one-step chemical activation process with phosphoric acid in air, allowing for the determination of the micropore volume, the proportion of slit and triangular pores and the PSD corresponding to the mixed geometry. The same experimental data were fit using both the conventional slit pore model and the mixed geometry model. From the analysis of the effect of different preparation procedures on the resulting PSDs, it is concluded that the proposed mixed geometry model may probably better capture the morphology and energetics of activated carbons prepared by chemical activation under mild temperatures.Fil: Azevedo, D. C. S.. Universidade Federal do Ceará; BrasilFil: Rios, R. B.. Universidade Federal do Ceará; BrasilFil: López, Raúl Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Torres, A. E. B.. Universidade Federal do Ceará; BrasilFil: Cavalcante, C. L.. Universidade Federal do Ceará; BrasilFil: Toso, J. P.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; ArgentinaElsevier Science2010-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/14106Azevedo, D. C. S.; Rios, R. B.; López, Raúl Horacio; Torres, A. E. B.; Cavalcante, C. L.; et al.; Characterization of PSD of activated carbons by using slit and triangular pore geometries; Elsevier Science; Applied Surface Science; 256; 17; 6-2010; 5191-51970169-4332enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0169433209018169info:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2009.12.094info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:57:05Zoai:ri.conicet.gov.ar:11336/14106instacron: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 09:57:05.674CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Characterization of PSD of activated carbons by using slit and triangular pore geometries
title Characterization of PSD of activated carbons by using slit and triangular pore geometries
spellingShingle Characterization of PSD of activated carbons by using slit and triangular pore geometries
Azevedo, D. C. S.
Psd
Activated Carbon
Phosphoric Acid
Mixed Geometry
title_short Characterization of PSD of activated carbons by using slit and triangular pore geometries
title_full Characterization of PSD of activated carbons by using slit and triangular pore geometries
title_fullStr Characterization of PSD of activated carbons by using slit and triangular pore geometries
title_full_unstemmed Characterization of PSD of activated carbons by using slit and triangular pore geometries
title_sort Characterization of PSD of activated carbons by using slit and triangular pore geometries
dc.creator.none.fl_str_mv Azevedo, D. C. S.
Rios, R. B.
López, Raúl Horacio
Torres, A. E. B.
Cavalcante, C. L.
Toso, J. P.
Zgrablich, Jorge Andres
author Azevedo, D. C. S.
author_facet Azevedo, D. C. S.
Rios, R. B.
López, Raúl Horacio
Torres, A. E. B.
Cavalcante, C. L.
Toso, J. P.
Zgrablich, Jorge Andres
author_role author
author2 Rios, R. B.
López, Raúl Horacio
Torres, A. E. B.
Cavalcante, C. L.
Toso, J. P.
Zgrablich, Jorge Andres
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Psd
Activated Carbon
Phosphoric Acid
Mixed Geometry
topic Psd
Activated Carbon
Phosphoric Acid
Mixed Geometry
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A mixed geometry model for activated carbons, representing the porous space as a collection of an undetermined proportion of slit and triangular pores, is developed, evaluated theoretically and applied to the characterization of a controlled series of samples of activated carbon obtained from the same precursor material. A method is proposed for the determination of the Pore Size Distribution (PSD) for such a mixed geometry model, leading to the unique determination of the proportion of pores of the two geometries fitting adsorption data. By using the Grand Canonical Monte Carlo (GCMC) simulation method in the continuum space, families of N2 adsorption isotherms are generated both for slit and triangular geometry corresponding to different pore sizes. The problem of the uniqueness in the determination of the PSD by fitting an adsorption isotherm using the mixed geometry model is then discussed and the effects of the addition of triangular pores on the PSD are analyzed by performing a test where the adsorption isotherm corresponding to the known PSD is generated and used as the “experimental” isotherm. It is found that a pure slit geometry model would widen the PSD and shift it to smaller sizes, whereas a pure triangular geometry model would produce the opposite effect. The slit and triangular geometry families of isotherms are finally used to the fit experimental N2 adsorption data corresponding to a family of activated carbons obtained from coconut shells through a one-step chemical activation process with phosphoric acid in air, allowing for the determination of the micropore volume, the proportion of slit and triangular pores and the PSD corresponding to the mixed geometry. The same experimental data were fit using both the conventional slit pore model and the mixed geometry model. From the analysis of the effect of different preparation procedures on the resulting PSDs, it is concluded that the proposed mixed geometry model may probably better capture the morphology and energetics of activated carbons prepared by chemical activation under mild temperatures.
Fil: Azevedo, D. C. S.. Universidade Federal do Ceará; Brasil
Fil: Rios, R. B.. Universidade Federal do Ceará; Brasil
Fil: López, Raúl Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Torres, A. E. B.. Universidade Federal do Ceará; Brasil
Fil: Cavalcante, C. L.. Universidade Federal do Ceará; Brasil
Fil: Toso, J. P.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina. Universidad Nacional de San Luis; Argentina
description A mixed geometry model for activated carbons, representing the porous space as a collection of an undetermined proportion of slit and triangular pores, is developed, evaluated theoretically and applied to the characterization of a controlled series of samples of activated carbon obtained from the same precursor material. A method is proposed for the determination of the Pore Size Distribution (PSD) for such a mixed geometry model, leading to the unique determination of the proportion of pores of the two geometries fitting adsorption data. By using the Grand Canonical Monte Carlo (GCMC) simulation method in the continuum space, families of N2 adsorption isotherms are generated both for slit and triangular geometry corresponding to different pore sizes. The problem of the uniqueness in the determination of the PSD by fitting an adsorption isotherm using the mixed geometry model is then discussed and the effects of the addition of triangular pores on the PSD are analyzed by performing a test where the adsorption isotherm corresponding to the known PSD is generated and used as the “experimental” isotherm. It is found that a pure slit geometry model would widen the PSD and shift it to smaller sizes, whereas a pure triangular geometry model would produce the opposite effect. The slit and triangular geometry families of isotherms are finally used to the fit experimental N2 adsorption data corresponding to a family of activated carbons obtained from coconut shells through a one-step chemical activation process with phosphoric acid in air, allowing for the determination of the micropore volume, the proportion of slit and triangular pores and the PSD corresponding to the mixed geometry. The same experimental data were fit using both the conventional slit pore model and the mixed geometry model. From the analysis of the effect of different preparation procedures on the resulting PSDs, it is concluded that the proposed mixed geometry model may probably better capture the morphology and energetics of activated carbons prepared by chemical activation under mild temperatures.
publishDate 2010
dc.date.none.fl_str_mv 2010-06
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/11336/14106
Azevedo, D. C. S.; Rios, R. B.; López, Raúl Horacio; Torres, A. E. B.; Cavalcante, C. L.; et al.; Characterization of PSD of activated carbons by using slit and triangular pore geometries; Elsevier Science; Applied Surface Science; 256; 17; 6-2010; 5191-5197
0169-4332
url http://hdl.handle.net/11336/14106
identifier_str_mv Azevedo, D. C. S.; Rios, R. B.; López, Raúl Horacio; Torres, A. E. B.; Cavalcante, C. L.; et al.; Characterization of PSD of activated carbons by using slit and triangular pore geometries; Elsevier Science; Applied Surface Science; 256; 17; 6-2010; 5191-5197
0169-4332
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0169433209018169
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2009.12.094
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 13.13397

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