Volume 231, 2021

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

Abstract

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 MOF 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.

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

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
06 มี.ค. 2564
Accepted
31 มี.ค. 2564
First published
31 มี.ค. 2564

Faraday Discuss., 2021,231, 201-223

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

E. Ren and F. Coudert, Faraday Discuss., 2021, 231, 201 DOI: 10.1039/D1FD00024A

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