Optimization of carbon nanotube arrays for hydrogen adsorption

Article Abstract:

A study was conducted to determine the maximum amount of hydrogen that single-walled carbon nanotube arrays (SWNTs) can adsorb at both 298 and 77 K. Results indicate that the (9,9) tube triangular arrays with van der Waals gaps of 6 and 9 Angstroms have the highest volumetric densities of all the tube configurations tested at both 298 and 77 K. However, this optimum tube configuration has been found to be incapable of achieving the DOE target for vehicular hydrogen storage.

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Computer simulations of hydrogen adsorption on graphite nanofibers

Article Abstract:

A study was conducted to investigate the issue of whether or not standard hydrogen physisorption models could explain the high hydrogen uptake on new carbon materials called graphite nanofibers. Hydrogen molecules were treated as classical spherical particles and grand canonical Monte Carlo simulations were conducted to model the salient physics of hydrogen adsorption on a model of graphite nanofibers. Experimental results and implications are discussed.

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Transport diffusion of gases is rapid in flexible carbon nanotubes

Article Abstract:

The role of nanotube flexibility in determining the diffusion coefficients of adsorbed molecules is discussed. It is found that nanotube flexibility in fact reduces the transport diffusion coefficient relative to simulations of rigid defect-free nanotubes but at pressures more than 1 bar.

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