377242 Computational Screening of Porous Coordination Networks for Adsorption and Membrane-Based Gas Separations
Separation of gas mixtures has social, environmental, industrial and economical importance. Traditional gas separation techniques include distillation, absorption, adsorption and membranes . Among these techniques, adsorption-based and membrane-based gas separation methods have received significant attention from academy and industry since they are energy-efficient and environmentally friendly processes. Various materials such as polymers, zeolites, carbon molecular-sieves, metal organic frameworks have been developed and tested as adsorbents and membranes to achieve high-performance gas separations . Porous coordination networks (PCNs), also known as metal organic frameworks (MOFs), offer high potential for gas storage and separation due to their large surface areas, high porosities, tunable pore sizes, good chemical and thermal stabilities . Various PCNs have been synthesized by different research groups and single-component gas uptake capacities of these PCNs are generally determined by experimental methods or GCMC simulations. However, there has not been any experimental study related with the binary gas adsorption and/or diffusion in PCNs. This lack of information limits the assessment of PCNs’ potential in adsorption-based and membrane-based gas separation applications.
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