A computational study of nitrogen adsorption on nanoporus materials

The adsorption of molecular nitrogen on model nanoporous zeolites FAU, ASV and MEP, 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 0–50 bars. The nitrogen adsorption can be affected mainly by the available volume and surface area at the same temperature and pressure. The nanoporous zeolite with larger available volume shows larger adsorption capacity, and the highest storage capacity was obtained for nanoporous zeolite FAU

Keywords:

Monte carlo simulation , Nanoporous zeolite , Nitrogen , Adsorption , Pore structure