Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121

Producción Científica

Detalles Bibliográficos
Autores: Granja del Río, Alejandra, Cabria Álvaro, Iván
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Universidad de Valladolid
Repositorio:UVaDOC. Repositorio Documental de la Universidad de Valladolid
OAI Identifier:oai:uvadoc.uva.es:10324/72935
Acceso en línea:https://doi.org/10.1016/j.ijhydene.2024.02.311
https://uvadoc.uva.es/handle/10324/72935
Access Level:acceso abierto
Palabra clave:Hydrogen storage
Methane storage
Metal-organic frameworks
Grand Canonical Monte Carlo simulations
3322.05 Fuentes no Convencionales de Energía
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spelling Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121Granja del Río, AlejandraCabria Álvaro, IvánHydrogen storageMethane storageMetal-organic frameworksGrand Canonical Monte Carlo simulations3322.05 Fuentes no Convencionales de EnergíaProducción CientíficaNew materials that can efficiently store hydrogen and methane at high gravimetric and volumetric densities are crucial for the widespread adoption of hydrogen vehicles as an eco-friendly alternative to fossil-fueled vehicles. Metal-Organic Frameworks (MOFs) have emerged as promising candidates to meet the Department of Energy (DOE) targets for both hydrogen and methane storage. Performing Grand Canonical Monte Carlo (GCMC) simulations, the usable hydrogen and methane gravimetric and volumetric storage capacities of two recently synthesized Jilin University (JLU) MOFs have been investigated. These capacities have been compared to those of other specifically selected MOFs with similar metal compositions, with other MOF from the JLU family, as well as classical and well-established MOFs like IRMOF-15 and IRMOF-20 (IRMOF: Isoreticular Metal-Organic Framework). The two newly synthesized JLU MOFs have exhibited high usable gravimetric and volumetric storage capacities for both hydrogen and methane, at room temperature and moderate pressures ranging from 25 to 35 MPa. These capacities are comparable to or even higher than those of classical MOFs and selected MOFs with similar metal compositions.Ministerio de Ciencia e Innovación (PGC2018-093745-B-I00)Junta de Castilla y León (VA124G18)Elsevier2024info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://doi.org/10.1016/j.ijhydene.2024.02.311https://uvadoc.uva.es/handle/10324/72935reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolidinstname:Universidad de ValladolidIngléshttps://www.sciencedirect.com/science/article/pii/S0360319924007535info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/oai:uvadoc.uva.es:10324/729352026-06-13T12:44:47Z
dc.title.none.fl_str_mv Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
title Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
spellingShingle Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
Granja del Río, Alejandra
Hydrogen storage
Methane storage
Metal-organic frameworks
Grand Canonical Monte Carlo simulations
3322.05 Fuentes no Convencionales de Energía
title_short Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
title_full Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
title_fullStr Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
title_full_unstemmed Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
title_sort Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
dc.creator.none.fl_str_mv Granja del Río, Alejandra
Cabria Álvaro, Iván
author Granja del Río, Alejandra
author_facet Granja del Río, Alejandra
Cabria Álvaro, Iván
author_role author
author2 Cabria Álvaro, Iván
author2_role author
dc.subject.none.fl_str_mv Hydrogen storage
Methane storage
Metal-organic frameworks
Grand Canonical Monte Carlo simulations
3322.05 Fuentes no Convencionales de Energía
topic Hydrogen storage
Methane storage
Metal-organic frameworks
Grand Canonical Monte Carlo simulations
3322.05 Fuentes no Convencionales de Energía
description Producción Científica
publishDate 2024
dc.date.none.fl_str_mv 2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://doi.org/10.1016/j.ijhydene.2024.02.311
https://uvadoc.uva.es/handle/10324/72935
url https://doi.org/10.1016/j.ijhydene.2024.02.311
https://uvadoc.uva.es/handle/10324/72935
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://www.sciencedirect.com/science/article/pii/S0360319924007535
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname:Universidad de Valladolid
instname_str Universidad de Valladolid
reponame_str UVaDOC. Repositorio Documental de la Universidad de Valladolid
collection UVaDOC. Repositorio Documental de la Universidad de Valladolid
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812455

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