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Journal Articles AIChE Journal Year : 2005

Molecular modeling of H₂ purification on Na-LSX zeolite and experimental validation

Abstract

Analysis of hydrogen purification process by adsorption in the dehydrated Na-LSX zeolite is described. New measurements of hydrogen and nitrogen adsorption selectivity of this zeolite have been performed up to a pressure of 20 MPa and at temperatures of 273, 293 and 313 K, by using a gravimetric-volumetric method. Structural characterizations were realized by helium density displacement, nuclear magnetic resonance, X-ray diffraction and scanning electronic microscopy. Furthermore, Monte Carlo simulations of gas adsorption were performed in a zeolite model of Na-LSX, using pair potentials to represent the interaction between gas molecules and zeolite atoms. Comparison of simulation results and experimental data enabled testing of the validity of such a modeling of the gas-zeolite interaction.

Dates and versions

hal-03378215 , version 1 (14-10-2021)

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Benno Weinberger, Farida Lamari, S. Beyaz, Alix Gicquel, Dominique Levesque. Molecular modeling of H₂ purification on Na-LSX zeolite and experimental validation. AIChE Journal, 2005, 51 (1), pp.142-148. ⟨10.1002/aic.10306⟩. ⟨hal-03378215⟩
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