Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness

Autores
Castez, Marcos Federico; Winograd, Emilio Andres; Sanchez, Veronica Muriel
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We perform a detailed study of methane flow through nanoporous kerogen. Using molecular dynamics and modeling the kerogen pore with an amorphous carbon nanotube (a-CNT), we show that the reported flow enhancement over Hagen-Poisseuile flow is mainly due to the smoothness, on an atomic scale, of the CNTs. It acts in two ways: first, it helps the mobility of the adsorbed layer; second, and even more important for the flow enhancement, it prevents the dependency on the inverse of the channel length (L) from developing. While the former can incrementally contribute to the flow, the latter effect can explain the orders of magnitude found in comparison to macroscopic results.
Fil: Castez, Marcos Federico. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata; Argentina. YPF - Tecnología; Argentina
Fil: Winograd, Emilio Andres. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. YPF - Tecnología; Argentina
Fil: Sanchez, Veronica Muriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Simulación Computacional para Aplicaciones Tecnológicas; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Materia
Shale
Hagen−Poisseuile Flow
Molecular Dynamics
Nanopores
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:11336/49787
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale RoughnessCastez, Marcos FedericoWinograd, Emilio AndresSanchez, Veronica MurielShaleHagen−Poisseuile FlowMolecular DynamicsNanoporeshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We perform a detailed study of methane flow through nanoporous kerogen. Using molecular dynamics and modeling the kerogen pore with an amorphous carbon nanotube (a-CNT), we show that the reported flow enhancement over Hagen-Poisseuile flow is mainly due to the smoothness, on an atomic scale, of the CNTs. It acts in two ways: first, it helps the mobility of the adsorbed layer; second, and even more important for the flow enhancement, it prevents the dependency on the inverse of the channel length (L) from developing. While the former can incrementally contribute to the flow, the latter effect can explain the orders of magnitude found in comparison to macroscopic results.Fil: Castez, Marcos Federico. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata; Argentina. YPF - Tecnología; ArgentinaFil: Winograd, Emilio Andres. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. YPF - Tecnología; ArgentinaFil: Sanchez, Veronica Muriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Simulación Computacional para Aplicaciones Tecnológicas; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; ArgentinaAmerican Chemical Society2017-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/49787Castez, Marcos Federico; Winograd, Emilio Andres; Sanchez, Veronica Muriel; Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness; American Chemical Society; Journal of Physical Chemistry C; 121; 51; 1-12-2017; 28527-285361932-7447CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/acs.jpcc.7b09811info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.7b09811info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:09:21Zoai:ri.conicet.gov.ar:11336/49787instacron: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:34982025-10-22 11:09:21.741CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
title Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
spellingShingle Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
Castez, Marcos Federico
Shale
Hagen−Poisseuile Flow
Molecular Dynamics
Nanopores
title_short Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
title_full Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
title_fullStr Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
title_full_unstemmed Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
title_sort Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness
dc.creator.none.fl_str_mv Castez, Marcos Federico
Winograd, Emilio Andres
Sanchez, Veronica Muriel
author Castez, Marcos Federico
author_facet Castez, Marcos Federico
Winograd, Emilio Andres
Sanchez, Veronica Muriel
author_role author
author2 Winograd, Emilio Andres
Sanchez, Veronica Muriel
author2_role author
author
dc.subject.none.fl_str_mv Shale
Hagen−Poisseuile Flow
Molecular Dynamics
Nanopores
topic Shale
Hagen−Poisseuile Flow
Molecular Dynamics
Nanopores
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We perform a detailed study of methane flow through nanoporous kerogen. Using molecular dynamics and modeling the kerogen pore with an amorphous carbon nanotube (a-CNT), we show that the reported flow enhancement over Hagen-Poisseuile flow is mainly due to the smoothness, on an atomic scale, of the CNTs. It acts in two ways: first, it helps the mobility of the adsorbed layer; second, and even more important for the flow enhancement, it prevents the dependency on the inverse of the channel length (L) from developing. While the former can incrementally contribute to the flow, the latter effect can explain the orders of magnitude found in comparison to macroscopic results.
Fil: Castez, Marcos Federico. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de La Plata; Argentina. YPF - Tecnología; Argentina
Fil: Winograd, Emilio Andres. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. YPF - Tecnología; Argentina
Fil: Sanchez, Veronica Muriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Simulación Computacional para Aplicaciones Tecnológicas; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
description We perform a detailed study of methane flow through nanoporous kerogen. Using molecular dynamics and modeling the kerogen pore with an amorphous carbon nanotube (a-CNT), we show that the reported flow enhancement over Hagen-Poisseuile flow is mainly due to the smoothness, on an atomic scale, of the CNTs. It acts in two ways: first, it helps the mobility of the adsorbed layer; second, and even more important for the flow enhancement, it prevents the dependency on the inverse of the channel length (L) from developing. While the former can incrementally contribute to the flow, the latter effect can explain the orders of magnitude found in comparison to macroscopic results.
publishDate 2017
dc.date.none.fl_str_mv 2017-12-01
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/11336/49787
Castez, Marcos Federico; Winograd, Emilio Andres; Sanchez, Veronica Muriel; Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness; American Chemical Society; Journal of Physical Chemistry C; 121; 51; 1-12-2017; 28527-28536
1932-7447
CONICET Digital
CONICET
url http://hdl.handle.net/11336/49787
identifier_str_mv Castez, Marcos Federico; Winograd, Emilio Andres; Sanchez, Veronica Muriel; Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness; American Chemical Society; Journal of Physical Chemistry C; 121; 51; 1-12-2017; 28527-28536
1932-7447
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/acs.jpcc.7b09811
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.7b09811
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
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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 12.982451

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