Selective D2 adsorption enhanced by the quantum sieving effect on entangled single-wall carbon nanotubes

The quantum sieving effect of D-2 over H-2 is examined at 40 and 77 K by means of experiments and GCMC simulations, for two types of single-wall carbon nanotubes that are distinguishable by their unique entangled structures; (1) a well-bundled SWCNT and (2) loosely-assembled SWCNT produced by the super growth method (SG-SWCNT). Oxidized SWCNT samples of which the so-called internal sites are accessible for H-2 and D-2, are also studied. Experimental H-2 and D-2 adsorption properties on the well-bundled SWCNTs are compared with the simulated ones, revealing that pore-blocking and restricted diffusion of the molecules suppress the high selectivity of D-2 over H-2. The non-oxidized SG-SWCNT assembly shows the highest selectivity among the SWCNT samples, both at 40 and 77 K. The high selectivity of the SG-SWCNT assembly, which is pronounced even at 77 K, is ascribed to their unique assembly structure.