Hydrogen storage in a series of Zn-based MOFs studied by PHSC equation of state

One of the most famous porous adsorbents used for separation and storage of several gases is metal organic framework (MOF). In this study, the experimental data related to hydrogen adsorption on and desorption from five adsorbents including MOF-5, MOF-177, MOF-200, MOF-205 and MOF-210 is adopted. Then, the hydrogen sorption is modeled by applying Perturbed Hard Sphere Chain Equation of State (PHSC EoS). PHSC equation of state has three molecular-based parameters, namely, the number of segments per molecule, the hard-sphere diameter and the non-bonded interaction energy, respectively. The amount of hydrogen uptake in the adsorbents is obtained through gas-adsorbents phase equilibrium calculations at temperature 77 K and various pressures up to 80 × 105 Pa. Finally, the result is compared with the experimental data to show the precision of PHSC equation of state in predicting the hydrogen sorption trend.