Highly CO2Selective Metal-Organic Framework Membranes with Favorable Coulombic Effect

The topology and chemical functionality of metal-organic frameworks (MOFs) make them promising candidates for membrane gas separation; however, few meet the criteria for industrial applications, that is, selectivity of >30 for CO2/CH(4)and CO2/N-2. This paper reports on a dense CAU-10-H MOF membrane that is exceptionally CO2-selective (ideal selectivity of 42 for CO2/N(2)and 95 for CO2/CH4). The proposed membrane also achieves the highest CO(2)permeability (approximately 500 Barrer) among existing pure MOF membranes with CO2/CH(4)selectivity exceeding 30. State-of-the-art atomistic simulations provide valuable insights into the outstanding separation performance of CAU-10-H at the molecular level. Adsorbent-adsorbate Coulombic interactions are identified as a crucial factor in the design of CO2-selective MOF membranes.