AI Article Synopsis
- Coadsorption experiments demonstrate that the selectivity for D2 over H2 increases as the amount of gas loaded into pure silica chabazite rises at a temperature of 47 K.
- This increased selectivity is linked to a noticeable step in the adsorption isotherms for both hydrogen (H2) and deuterium (D2).
- Grand canonical Monte Carlo simulations indicate that this phenomenon is driven by a molecular rearrangement of the adsorbed gases, which is influenced by the strong confinement within the chabazite structure, making it easier for the smaller D2 molecules to be adsorbed due to quantum effects.
Article Abstract
Coadsorption experiments reveal an unexpected increase of the D2/H2 selectivity with loading in pure silica chabazite at 47 K. This effect is correlated with the appearance of a step in the adsorption isotherms of H2 and D2. Grand canonical Monte Carlo simulations show that this phenomenon is related to a molecular rearrangement of the adsorbed phase induced by its strong confinement. In the case of a H2 and D2 mixture, this rearrangement favors the adsorption of D2 having a smaller size due to quantum effects.
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| http://dx.doi.org/10.1039/d0cc02060e | DOI Listing |
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