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Martin Calvo, A. (author), Gutiérrez-Sevillano, J.J. (author), Matito-Martos, I. (author), Vlugt, T.J.H. (author), Calero, S. (author)
We present a molecular simulation study on the most suitable zeolite topologies for hydrogen adsorption and storage. We combine saturation capacities, pore size distributions, preferential adsorption sites, and curves of heat of adsorption of hydrogen as a function of temperature (we call them heats of adsorption (HoA)-curve) to identify the...
journal article 2018