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dc.contributor.authorGranja del Río, Alejandra 
dc.contributor.authorCabria Álvaro, Iván 
dc.date.accessioned2023-12-18T07:43:48Z
dc.date.available2023-12-18T07:43:48Z
dc.date.issued2023
dc.identifier.citationInternational Journal of Hydrogen Energy, 2024 vol. 54, p. 665-677es
dc.identifier.issn0360-3199es
dc.identifier.urihttps://uvadoc.uva.es/handle/10324/63666
dc.descriptionProducción Científicaes
dc.description.abstractMetal-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.mimetypeapplication/pdfes
dc.language.isoenges
dc.publisherElsevieres
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectFísicaes
dc.subjectEnergy storagees
dc.subject.classificationHydrogen storagees
dc.subject.classificationGrand Canonical Monte Carlo simulationses
dc.subject.classificationMethane storagees
dc.subject.classificationAlmacenamiento de hidrógenoes
dc.subject.classificationGrand Canonical Monte Carlo simulationses
dc.subject.classificationAlmacenamiento de metanoes
dc.titleExploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation studyes
dc.typeinfo:eu-repo/semantics/articlees
dc.rights.holder© 2023 Hydrogen Energy Publications LLCes
dc.identifier.doi10.1016/j.ijhydene.2023.11.258es
dc.relation.publisherversionhttps://www.sciencedirect.com/science/article/pii/S0360319923060974?via%3Dihubes
dc.identifier.publicationtitleInternational Journal of Hydrogen Energyes
dc.peerreviewedSIes
dc.description.projectMinisterio de Ciencia e Innovación (grant PGC2018-093745-B-I00)es
dc.description.projectJunta de Castilla y León (grant VA124G18)es
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones
dc.subject.unesco22 Físicaes


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