Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/63666
Título
Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study
Año del Documento
2023
Editorial
Elsevier
Descripción
Producción Científica
Documento Fuente
International Journal of Hydrogen Energy, 2024
vol. 54, p. 665-677
Resumen
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.
Materias (normalizadas)
Física
Energy storage
Materias Unesco
22 Física
Palabras Clave
Hydrogen storage
Grand Canonical Monte Carlo simulations
Methane storage
Almacenamiento de hidrógeno
Grand Canonical Monte Carlo simulations
Almacenamiento de metano
ISSN
0360-3199
Revisión por pares
SI
Patrocinador
Ministerio de Ciencia e Innovación (grant PGC2018-093745-B-I00)
Junta de Castilla y León (grant VA124G18)
Junta de Castilla y León (grant VA124G18)
Propietario de los Derechos
© 2023 Hydrogen Energy Publications LLC
Idioma
eng
Tipo de versión
info:eu-repo/semantics/publishedVersion
Derechos
openAccess
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