dc.contributor.author | Granja del Río, Alejandra | |
dc.contributor.author | Cabria Álvaro, Iván | |
dc.date.accessioned | 2023-12-18T07:43:48Z | |
dc.date.available | 2023-12-18T07:43:48Z | |
dc.date.issued | 2023 | |
dc.identifier.citation | International Journal of Hydrogen Energy, 2024 vol. 54, p. 665-677 | es |
dc.identifier.issn | 0360-3199 | es |
dc.identifier.uri | https://uvadoc.uva.es/handle/10324/63666 | |
dc.description | Producción Científica | es |
dc.description.abstract | Metal-Organic Frameworks (MOFs) are a significant and promising category of solid that have garnered substantial attention for their potential in storing hydrogen and methane. Grand Canonical Monte Carlo (GCMC) simulations of the usable hydrogen and methane storage capacities of five DUT MOFs (Dresden University of Technology), based on tritopic ligands and copper, have been carried out at room temperature and pressures between 0.5 and 35 MPa. These DUT MOFs exhibit high usable hydrogen and methane storage capacities, comparable or higher than the storage capacities of the best classical MOFs and the best Cu-based MOFs. The usable methane gravimetric storage capacities at 35 MPa and room temperature of these DUTs reach the Department of Energy (DOE) methane gravimetric target and their usable volumetric capacities are close to the DOE methane volumetric target. | es |
dc.format.mimetype | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | Elsevier | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Física | es |
dc.subject | Energy storage | es |
dc.subject.classification | Hydrogen storage | es |
dc.subject.classification | Grand Canonical Monte Carlo simulations | es |
dc.subject.classification | Methane storage | es |
dc.subject.classification | Almacenamiento de hidrógeno | es |
dc.subject.classification | Grand Canonical Monte Carlo simulations | es |
dc.subject.classification | Almacenamiento de metano | es |
dc.title | Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study | es |
dc.type | info:eu-repo/semantics/article | es |
dc.rights.holder | © 2023 Hydrogen Energy Publications LLC | es |
dc.identifier.doi | 10.1016/j.ijhydene.2023.11.258 | es |
dc.relation.publisherversion | https://www.sciencedirect.com/science/article/pii/S0360319923060974?via%3Dihub | es |
dc.identifier.publicationtitle | International Journal of Hydrogen Energy | es |
dc.peerreviewed | SI | es |
dc.description.project | Ministerio de Ciencia e Innovación (grant PGC2018-093745-B-I00) | es |
dc.description.project | Junta de Castilla y León (grant VA124G18) | es |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es |
dc.subject.unesco | 22 Física | es |
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