RT info:eu-repo/semantics/article
T1 Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121
A1 Granja del Río, Alejandra
A1 Cabria Álvaro, Iván
K1 Hydrogen storage
K1 Methane storage
K1 Metal-organic frameworks
K1 Grand Canonical Monte Carlo simulations
AB New materials that can efficiently store hydrogen and methane at high gravimetric and volumetric densities are crucial for the widespread adoption of hydrogen vehicles as an eco-friendly alternative to fossil-fueled vehicles. Metal-Organic Frameworks (MOFs) have emerged as promising candidates to meet the Department of Energy (DOE) targets for both hydrogen and methane storage. Performing Grand Canonical Monte Carlo (GCMC) simulations, the usable hydrogen and methane gravimetric and volumetric storage capacities of two recently synthesized Jilin University (JLU) MOFs have been investigated. These capacities have been compared to those of other specifically selected MOFs with similar metal compositions, with other MOF from the JLU family, as well as classical and well-established MOFs like IRMOF-15 and IRMOF-20 (IRMOF: Isoreticular Metal-Organic Framework). The two newly synthesized JLU MOFs have exhibited high usable gravimetric and volumetric storage capacities for both hydrogen and methane, at room temperature and moderate pressures ranging from 25 to 35 MPa. These capacities are comparable to or even higher than those of classical MOFs and selected MOFs with similar metal compositions.
PB Elsevier
SN 0360-3199
YR 2024
FD 2024
LK https://uvadoc.uva.es/handle/10324/72935
UL https://uvadoc.uva.es/handle/10324/72935
LA eng
NO International Journal of Hydrogen Energy, 2024, vol. 61, p. 57-72
NO Producción Científica
DS UVaDOC
RD 24-dic-2024