Optimization of the Pore Structures of MOFs for Record High Hydrogen Volumetric Working Capacity.

ABSTRACT: Metal-organic frameworks (MOFs) are promising materials for onboard hydrogen storage thanks to the tunable pore size, pore volume, and pore geometry. In consideration of pore structures, the correlation between the pore volume and hydrogen storage capacity is examined and two empirical equations are rationalized to predict the hydrogen storage capacity of MOFs with different pore geometries. The total hydrogen adsorption under 100 bar and 77 K is predicted as n_tot = 0.085× V_p - 0.013× V_p ² for cage-type MOFs and n_tot = 0.076× V_p - 0.011× V_p ² for channel-type MOFs, where V_p is the pore volume of corresponding MOFs. The predictions by these empirical equations are validated by several MOFs wit

SUBMITTER: Zhang X 

PROVIDER: S-EPMC7958254 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature