Durğun, Yeliz Gürdal2025-01-062025-01-0620192147-31292147-3188https://search.trdizin.gov.tr/tr/yayin/detay/380629https://hdl.handle.net/20.500.14669/1156Zeolite imidazolate frameworks (ZIFs) possess exceptional chemical and thermal stabilities together with tunablepore sizes, high porosities, and large surface areas which opens new and exciting application areas of ZIFs, suchas gas separation and purification. Although, there have been significant number of studies investigating syngasseparation performances of ZIFs, currently very little is know about their noble gas separation performances. We,therefore, computationally investigate adsorption and membrane oriented Xe/Kr and Xe/Ar separationperformances of ZIF-6, ZIF-60, ZIF-65, and ZIF-79. Single component and mixture gas uptakes, Xe adsorptionselectivities, gas permeabilities, and Xe permeation selectivities are predicted for all ZIFs under consideration.Our results suggest that while ZIF-79 is ideal for adsorption-based Xe separation, ZIF-60 can be considered as apromising candidate for membrane oriented separation of Xe.eninfo:eu-repo/semantics/openAccessArticle1018310093806298