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

J Phys Condens Matter. 2010 Aug 25;22(33):334207. doi: 10.1088/0953-8984/22/33/334207. Epub 2010 Aug 4.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adsorption
  • Computer Simulation
  • Deuterium / chemistry*
  • Hydrogen / chemistry*
  • Macromolecular Substances / chemistry
  • Materials Testing
  • Models, Chemical*
  • Molecular Conformation
  • Nanotubes, Carbon / chemistry*
  • Nanotubes, Carbon / ultrastructure*
  • Particle Size
  • Porosity
  • Surface Properties

Substances

  • Macromolecular Substances
  • Nanotubes, Carbon
  • Hydrogen
  • Deuterium