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Van den Berg, A.W.C. (author), Bromley, S.T. (author), Flikkema, E. (author), Wojdel, J. (author), Maschmeyer, T. (author), Jansen, J.C. (author)
In order to investigate the technical feasibility of crystalline porous silicates as hydrogen storage materials, the self-diffusion of molecular hydrogen in all-silica sodalite is modeled using large-scale classical molecular-dynamics simulations employing full lattice flexibility. In the temperature range of 700–1200 K, the diffusion...
journal article 2004