(595a) Progress Towards Ultra-Fast Screening of Porous Sorbents for Chemical Separations

Crystalline nanoporous materials such as zeolites and metal-organic frameworks have potential applications in a wide range of chemical separations, including adsorption-based and membrane-based processes. We will discuss progress in methods to screen large libraries of materials for chemical separations. A particular problem of interest is whether computational methods can be used to efficiently characterize not only a large number of adsorbent materials but also large collections of potential adsorbing molecules. Initial results from considering this question allow us to discuss whether “privileged” adsorbents exist that have high performance for a large number of distinct chemical separations.