Abstract
We have applied the grand canonical Monte Carlo method (GCMC) to in- vestigate the physisorption properties of hydrogen storage in BC3 and carbon nan- otubes, respectively. Some important physical amounts under different temperatures and pressures, such as adsorption isotherms and adsorption amounts were studied. The results show that, the physisorption properties of BC3 nanotube are superior to those of carbon nanotube at all conditions. The main reasons causing such different results between them were analyzed from the interaction energies among nanotubes and H2 molecules. PACS: 61.46.Np, 71.15.Mb, 73.22.-f, 87.15.ak
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