Thermodynamic Parameters for Hydrogen Storage in Metal Organic Frameworks

The global energy crisis coupled with the rising demand to decarbonize the planet, has escalated research on alternative clean energy in the changing energy mix. Owing to the abundant availability and natural inexhaustibility of hydrogen in nature, the green hydrogen has turned out to be a promising and attractive energy carrier in cars and other mobile applications. However, hydrogen production still faces challenges on storage, distribution and usage. Microporous metal-organic frameworks have become the most promising materials for hydrogen storage since they have high surface areas and chemically tunable porous structures. Thus, this study is carried out to investigate the theoretically valid equations and thermodynamic parameters for hydrogen storage in metal organic frameworks. Our calculations revealed that, an efficient hydrogen storage metal organic framework should be tuned to high overall entropy above 484 𝐽.𝑚ol−1𝐾−1 at room temperature, Δ𝐺𝐺≅1650 𝐽/𝑚ol and Δ𝐻≅−1800 𝐽.𝑚ol−1𝐾−1 at 𝑃(𝑇) between 40 𝑏ar to 100 𝑏ar.