  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.
