Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes

Grand Canonical Monte Carlo, GCMC, simulations are used to study the gravimetric and volumetric hydrogen storage capacities of different carbon nanopores shapes: Slit-shaped, nanotubes torusenes at room temperature, 298.15 K, pressures between 0.1 35 MPa, for pore diameter or width 4 15 Å. The influence shape curvature on as a function pressure, temperature is investigated analyzed. A large pores means, in general, an increase pores. While have surfaces with more than slit-shaped planar pores, their lower those according present GCMC simulations. Torusene, less studied nanostructure, has two radii curvatures, but similar nanotubes, which only one radius curvature. goal obtain qualitative quantitative relationships structure porous materials capacities, particular especially relationship carbon-based materials.