Computational Exploration of IRMOFs for Xenon Separation from Air.

ABSTRACT: Metal-organic frameworks (MOFs) found their well-deserved position in the field of gas adsorption and separation because of their unique properties. The separation of xenon from different gas mixtures containing this valuable and essential noble gas is also benefited from the exciting nature of MOFs. In this research, we chose a series of isoreticular MOFs as our study models to apply advanced molecular simulation techniques in the context of xenon separation from air. We investigated the separation performance of our model set through simulation of ternary gas adsorption isotherms and consequent calculation of separation performance descriptors, finding out that IRMOF-7 shows better recovering capabilities compared to the other studied MOFs. We benefited from visualization of xenon energy

SUBMITTER: Panter S 

PROVIDER: S-EPMC6643503 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature