RT info:eu-repo/semantics/article
T1 Insights into hydrogen and methane storage capacities: Grand canonical Monte Carlo simulations of SIGSUA
A1 Granja del Río, Alejandra
A1 Cabria Álvaro, Iván
AB In the pursuit of sustainable energy solutions, the development of materials with efficient hydrogen and methane storage capacities is imperative,particularly for advancing hydrogen-powered vehicles. Metal–organic frameworks (MOFs) have emerged as promising candidates tomeet the stringent targets set by the Department of Energy for both hydrogen and methane storage. This study employs Grand CanonicalMonte Carlo simulations to investigate the usable hydrogen and methane gravimetric and volumetric storage capacities of the recently synthesizedSIGSUA. A comparative analysis encompasses the selected MOFs with similar metal compositions, those with comparable density andaverage pore radius, and classical benchmarks, such as IRMOF-15 and IRMOF-20, all evaluated at room temperature and moderate pressuresranging from 25 to 35 MPa. The results reveal that SIGSUA demonstrates noteworthy gravimetric and volumetric storage capacities for bothhydrogen and methane, rivaling or surpassing those of the selected MOFs for analysis. These findings underscore the potential of SIGSUA inadvancing clean energy storage technologies.
PB AIP Publishing
SN 0021-9606
YR 2024
FD 2024
LK https://uvadoc.uva.es/handle/10324/74349
UL https://uvadoc.uva.es/handle/10324/74349
LA eng
NO J. Chem. Phys. 160, 154712 (2024)
NO Producción Científica
DS UVaDOC
RD 24-ene-2025