Grand canonical Monte Carlo simulation of hydrogen physisorption in zeolites RHO, FAU and TSC

The adsorption of molecular hydrogen on model zeolites TSC, FAU and RHO, 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 273-325 K and a pressure(fugacity) range of 0–10 kilo bars. The hydrogen adsorption 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 was obtained for zeolite TSC.

کلیدواژه ها:

Zeolite ، Hydrogen ، Adsorption ، Pore size ، Monte Carlo Simulation