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Article Dans Une Revue Faraday Discussions Année : 2021

Thermodynamic exploration of xenon/krypton separation based on a high-throughput screening

Résumé

Nanoporous framework materials are a promising class of materials for energy-efficient technology of xenon/krypton separation by physisorption. Many studies on Xe/Kr separation by adsorption have focused on the determination of structure/property relationships, the description of theoretical limits of performance, and the identification of top-performing materials. Here, we provide a study based on a high-throughput screening of the adsorption of Xe, Kr, and Xe/Kr mixtures in 12,020 experimental MOFs materials, to provide a better comprehension of the thermodynamics behind Xe/Kr separation in nanoporous materials and the microscopic origins of Xe/Kr selectivity at both low and ambient pressure.
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Dates et versions

hal-03189895 , version 1 (05-04-2021)

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Citer

Emmanuel Ren, François-Xavier Coudert. Thermodynamic exploration of xenon/krypton separation based on a high-throughput screening. Faraday Discussions, 2021, 231, pp.201-223. ⟨10.1039/D1FD00024A⟩. ⟨hal-03189895⟩
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