Molecular Dynamics Simulation of Storage Capacity of H2 in Kerogen Pores and Its Retention Characteristics in Release Process
There are a large number of nanopores in abandoned shale gas reservoirs.To investigate whether the abandoned shale gas reservoirs have the potential to store H2 and whether some H2 will remain in the formation during the pressure reduction and H2 release,the distribution patterns of H2 and CH4 in different shaped kerogen nanopores,as well as the storage-release processes of H2 under dif-ferent pressures,are compared by molecular simulation.The results indicate that CH4 has a limited adsorption advantage in the kerogen pores,which gradually weakens with increasing pressure.The interaction force between H2 and the wall of kerogen pores is weak,and the confinement effect is not significant.Under different pore sizes and pressure conditions,H2 is uniformly distributed in the pores,and there is no retention phenomenon during the decompression process.
molecular dynamics simulationunderground storage of H2storage of hydrogen energynanoporesconfinement effectkero-genshale
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