Quantum Effects on Hydrogen Isotopes Adsorption in Nanopores

Quantum Molecular Sieving Effects of H2 and D2 on Bundled and Nonbundled Single-Walled Carbon Nanotubes

“…All the adsorption amounts of D 2 are larger than those of H 2 , although the D 2 and H 2 adsorption difference at 77 K is much smaller than that at 40 K. The differences between the D 2 and H 2 adsorption amounts are slightly smaller than those predicted using FH-type grand canonical Monte Carlo simulations. 15 The D 2 and H 2 adsorption difference for band-SWCNT at 77 K is almost the same as that of ox-SWCNT, although its surface area and nanopore volume are half those of ox-SWCNT. The interstitial pores are preferred adsorption sites for D 2 at 77 K. However, this feature disappears at 40 K; the D 2 and H 2 adsorption difference of band-SWCNT at 40 K is less than half that of SWCNT.…”

Classical density functional approach to adsorption of hydrogen in carbon materials

“…In figure 5 our results for the adsorption a are compared to Monte-Carlo results [35]. As in [35], the value ε f /k = 34.2 K was used which differs a bit from the value presented in Table 1, we also used (in this case) the same value of the ε f /k parameter.…”

“…As in [35], the value ε f /k = 34.2 K was used which differs a bit from the value presented in Table 1, we also used (in this case) the same value of the ε f /k parameter. One can see that figure 5 demonstrates a good agreement between our calculation results and the results [35].…”

“…As in [35], the value ε f /k = 34.2 K was used which differs a bit from the value presented in Table 1, we also used (in this case) the same value of the ε f /k parameter. One can see that figure 5 demonstrates a good agreement between our calculation results and the results [35]. The numeration of curves is the same as in figure 2 As was mentioned above, in [22], standard data for the adsorption of benzene in AC35 were recalculated to the adsorption of hydrogen using the Dubinin-Radushkevich equation [9].…”

Quantum Sieving for Separation of Hydrogen Isotopes Using MOFs

“…One should note that this quantum effect (and hence differences in adsorption of H 2 and D 2 ) can be observed in all types of porous materials under certain conditions (e.g., first observed in 1939, in 1962 for activated carbons, and in 1988 for zeolites). However, very few experimental studies of D 2 /H 2 separation in porous adsorbents have been performed so far,, , , [9b], and their separation efficiencies were rather low, due to the difficulty of applying conditions maximizing the quantum effects. In order to elucidate (or maximize) these quantum effects, precisely controlled pore size and binding strength is an essential prerequisite.…”