Quantum sieving in organic frameworks

The isotopic separation factors for T2/H2 and D2/H2 mixtures adsorbed in various organic frameworks have been calculated using path integral Monte Carlo simulations. The results are in fair agreement with the available experimental data, and show a very strong dependence on temperature. lectivity shows a less pronounced dependence on the external pressure, but different behaviours are found for different materials. They are analyzed from the point of view of the solid–fluid potential energy surface.