. . . . . . . . . .    ANM 2010     3rd International Conference on Advanced Nano Materials     12-15 September 2010 - Agadir, Morocco Back    Abstract ANMM248 MONTE CARLO SIMULATION OF HYDROGEN ADSORPTION IN NAA ZEOLITES J M G Sousa 1, A L C Ferreira 1, M Barroso 1, E Titus 2, D P Fagg 2, J Grácio 2 1 Department of Physics and Institute for Nanostructures, Nanomodelling and Nanofabrication (I3N), University of Aveiro , 3810-193, Portugal 2 Nanotechnology Research Division (NRD), Centre for Mechanical Technology and Automation, University of Aveiro, 3810-193, Portugal . A systematic study on the possible mechanisms for adsorption of molecular hydrogen onto NaA zeolite was carried out by grand canonical Monte Carlo Simulation. The computed values of the average number of hydrogen molecules occupied in a zeolite crystal unit were compared with the experimental results.  The adsorption isotherm at various temperatures near room temperature was used to calculate the Henry coefficient and heat of adsorption. . © nanoAC . . . . . . . . . .

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