2026-04-27T20:18:57Zhttps://uvadoc.uva.es/oai/request

oai:uvadoc.uva.es:10324/743492025-04-22T20:00:33Zcom_10324_1159com_10324_931com_10324_894col_10324_1310

Granja del Río, Alejandra Cabria Álvaro, Iván 2025-01-23T21:23:10Z 2025-01-23T21:23:10Z 2024 J. Chem. Phys. 160, 154712 (2024) 0021-9606 https://uvadoc.uva.es/handle/10324/74349 10.1063/5.0193291 15 The Journal of Chemical Physics 160 1089-7690 Producción Científica 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 to meet the stringent targets set by the Department of Energy for both hydrogen and methane storage. This study employs Grand Canonical Monte Carlo simulations to investigate the usable hydrogen and methane gravimetric and volumetric storage capacities of the recently synthesized SIGSUA. A comparative analysis encompasses the selected MOFs with similar metal compositions, those with comparable density and average pore radius, and classical benchmarks, such as IRMOF-15 and IRMOF-20, all evaluated at room temperature and moderate pressures ranging from 25 to 35 MPa. The results reveal that SIGSUA demonstrates noteworthy gravimetric and volumetric storage capacities for both hydrogen and methane, rivaling or surpassing those of the selected MOFs for analysis. These findings underscore the potential of SIGSUA in advancing clean energy storage technologies. MICINN (Grant No. PGC2018-093745-B-I00) Junta de Castilla y León (Grant No. VA124G18) application/pdf eng AIP Publishing info:eu-repo/semantics/openAccess Insights into hydrogen and methane storage capacities: Grand canonical Monte Carlo simulations of SIGSUA info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion SI