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Journal Articles Journal of Chemical Physics Year : 2006

Capillary condensation and adsorption of binary mixtures


The adsorption of equimolar binary mixtures of hydrogen-carbon dioxide, hydrogen-methane and methane-carbon dioxide in porous material models is determined by Grand Canonical Monte Carlo simulations. The material models have an adsorbent surface similar to that of nanofibers with a herringbone structure. Our main result, which is relevant for hydrogen purification and carbon dioxide capture, is that the adsorption selectivities calculated for the mixtures can differ significantly from those deduced from simulations of the adsorption of pure gases, in particular when one of the adsorbed gases presents a capillary condensation induced by confinement within the pore network. A comparison of our data is also made with theoretical models used in the literature for predicting the properties of the mixture adsorption.
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hal-00278736 , version 1 (13-05-2008)



Benno Weinberger, Farida Darkrim-Lamari, Dominique Levesque. Capillary condensation and adsorption of binary mixtures. Journal of Chemical Physics, 2006, 124 (23), pp.234712. ⟨10.1063/1.2205848⟩. ⟨hal-00278736⟩
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