Zr-MOFs for CF<sub>4</sub>/CH<sub>4</sub>, CH<sub>4</sub>/H<sub>2</sub>, and CH<sub>4</sub>/N<sub>2</sub> separation: towards the goal of discovering stable and effective adsorbents
Hakan Demir, Seda Keskın
Abstract
regenerabilities of 81.1, 84.0, and 84.5%, in successive order, show the best overall separation performances. To further elucidate the adsorption in top performing adsorbents, the adsorption sites in these materials are analyzed using radial distribution functions and adsorbate density profiles. Finally, the water affinities of Zr-MOFs are explored to comment on their practical use in real gas separation applications. Our findings may inspire future studies probing the adsorption/separation mechanisms and performances of Zr-MOFs for different gases.
Topics & Concepts
Materials scienceCrystallographyPhysical chemistryChemistryAnalytical Chemistry (journal)ChromatographyMetal-Organic Frameworks: Synthesis and ApplicationsIndustrial Gas Emission ControlInorganic Fluorides and Related Compounds