Selecting metal organic frameworks as enabling materials in mixed matrix membranes for high efficiency natural gas purification

The addition of nonpolymeric particles to polymer films represents an important avenue for enhancing the performance of polymeric membranes for gas separations. We examine the challenge of selecting metal organic frameworks (MOFs) for use in high performance mixed matrix membranes using a combination of atomistic and continuum modeling. We validate our models by comparing with experimental data for IRMOF-1/Matrimid membranes. We then identify a highly selective MOF that is predicted to greatly enhance the performance of Matrimid and a range of other polymers for CO(2)/CH(4) separations. The methods we introduce will create many opportunities for selecting MOF/polymer combinations for mixed matrix membranes with useful properties for large volume separations.