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Keywords:

  • diffusion;
  • metal–organic frameworks;
  • methane;
  • molecular dynamics;
  • neutron diffraction
Thumbnail image of graphical abstract

Channel tunnel: Diffusion of methane in the metal–organic frameworks MIL-53(Cr) and MIL-47(V) was elucidated by quasi-elastic neutron scattering and molecular dynamics simulation, and 1D diffusion of CH4 along the channels was found in both materials. The self-diffusivity of methane at low loading is very large, more than one order of magnitude higher than in zeolites. The picture shows CH4 molecules in a MIL-53(Cr) channel.