Hydrogen storage in a series of Zn-based IRMOFs studied by Sanchez–Lacombe equation of state

In this work, the adsorptive behaviors of molecular hydrogen in 10 different isoreticular metal-organic frameworks, namely, IRMOF-1, -2, -3, -6, -8, -10, -11, -13, -18 and -20 have been studied using Sanchez–Lacombe equation of state. Sanchez–Lacombe equation of state has three characteristic parameters: characteristic density, characteristic pressure, and characteristic temperature which have been calculated from group contribution procedure. The amount of hydrogen uptake in IRMOFs has been obtained through gas-adsorbents phase equilibrium calculations at temperature 77 K and various pressures up to 80 × 105 Pa. Finally, the results have been compared with the experimental data to show the precision of SL equation of state in predicting the hydrogen sorption data.