Transport-Relevant Pore Limiting Diameter for Molecular Separations in Metal–Organic Framework Membranes

Metal–organic frameworks (MOFs) are an emerging class of materials for membrane gas separations. The pore limiting diameter (PLD) of a MOF, i.e., the aperture size of the material, is often used as a key structural property to evaluate its size exclusion capability for a gas mixture. The current computation of a PLD is based on the van der Waals radii outlined by the Cambridge Crystallographic Data Centre (CCDC), and this set of van der Waals...