RT info:eu-repo/semantics/article
T1 Grand Canonical Monte Carlo simulations of hydrogen and methane storage capacities of two novel Al-nia MOFs at room temperature
A1 Granja del Río, Alejandra
A1 Cabria Álvaro, Iván
K1 Hidrógeno (Combustible)
K1 Gas (Combustible)
K1 Hydrogen storage
K1 Methane storage
K1 Al-based MOFs
K1 Almacenamiento de hidrógeno
K1 Almacenamiento de metano
K1 MOF basados en Al
K1 3303.06 Tecnología de la Combustión
K1 22 Física
AB Novel materials capable of storing hydrogen or/and methane at high gravimetric and volumetric densities are required for hydrogen vehicles to be widely employed as a clean alternative to fossil-based vehicles. Metal-Organic Frameworks (MOFs) are considered as promising candidates to achieve the Department Of Energy (DOE) targets for both, hydrogen and methane storage. Using Grand Canonical Monte Carlo (GCMC) simulations, the hydrogen and methane gravimetric and volumetric storage capacities of two recently synthesized Al-nia MOFs have been studied. Their storage capacities have been compared with the storage capacities of other Al-based MOFs and classical and well-known MOFs, such as IRMOF-5. The two novel Al-nia MOFs have shown high hydrogen and methane gravimetric and volumetric storage capacities at room temperature and moderate pressures, 25–35 MPa, comparable or higher than the storage capacities of classical and Al-based MOFs.
PB Elsevier
SN 0360-3199
YR 2023
FD 2023
LK https://uvadoc.uva.es/handle/10324/61287
UL https://uvadoc.uva.es/handle/10324/61287
LA eng
NO International Journal of Hydrogen Energy, 2024vol. 50, Part D, p. 685-696
NO Producción Científica
DS UVaDOC
RD 21-may-2024