Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials

The physical limits for methane storage and delivery in nanoporous materials were investigated, with a focus on whether it is possible to reach a methane deliverable capacity of 315 cm3(STP)/cm3 in line with the adsorption target established by the ARPA-E agency. Our efforts focused on how both geometric and chemical properties, such as void fraction (Vf), volumetric surface area (Sv), and heat of adsorption (Qst), impact methane deliverable capacity, i.e., the amount of methane adsorbed at some storage pressure minus the amount adsorbed at the delivery pressure. With the aid of grand canonical Monte Carlo (GCMC) simulations, we studied methane adsorption and delivery properties in a population of 122 835 hypothetical pcu metal–organic frameworks (MOFs) and 39 idealized carbon-based porous materials. From the simulation results, we developed an analytical equation that helped us delimit the necessary material properties to reach specific methane deliverable capacity targets. The maximum deliverable capaci...

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