عنوان مقاله [English]
Zeolites have been considered as potential sorbets for hydrogen storage. So, the adsorption of molecular hydrogen on model zeolites RWY, KFI, and SAS which encompass a range of different pore structures and compositions, has been simulated employing Grand Canonical Monte Carlo (GCMC) procedure for a temperature range of 77-95K and a pressure range of 0–10 bars. The results show that the amount of adsorbed hydrogen can be affected mainly by the available volume and surface area at the same temperature and pressure. The zeolite with larger available volume shows larger adsorption capacity and the highest storage capacity were obtained for zeolite RWY.