RT info:eu-repo/semantics/article
T1 Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study
A1 Granja del Río, Alejandra
A1 Cabria Álvaro, Iván
K1 Física
K1 Energy storage
K1 Hydrogen storage
K1 Grand Canonical Monte Carlo simulations
K1 Methane storage
K1 Almacenamiento de hidrógeno
K1 Grand Canonical Monte Carlo simulations
K1 Almacenamiento de metano
K1 22 Física
AB 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.
PB Elsevier
SN 0360-3199
YR 2023
FD 2023
LK https://uvadoc.uva.es/handle/10324/63666
UL https://uvadoc.uva.es/handle/10324/63666
LA eng
NO International Journal of Hydrogen Energy, 2024vol. 54, p. 665-677
NO Producción Científica
DS UVaDOC
RD 17-may-2024