Adsorption of H2, CO, CO2, N2, O2 and CH4 on Pillared Graphene.

A molecular dynamics simulation is carried out to study the physisorption of H2, CO, CO2, N2, O2 and CH4 in the pillared graphene structure under various environment. The excess adsorption number is calculated and found to be negative for H2 at 300 K. Further the energy condition not distance between adsorbate and adsorbent is used to define the physisorption number. We found the excess adsorption number is smaller than physisorption number at normal environment, except for the gas at the supercritical fluid.