High-throughput virtual screening of metal–organic frameworks for xenon recovery from exhaled anesthetic gas mixture
Chemical Engineering Journal(2023)
摘要
•High-throughput virtual screening of 12,020 CoRE-MOFs for Xe recovery.•Ten top-performing MOFs were identified under a VSA process.•Structure-performance relations of MOFs were investigated.•Three strategies were proposed to design high-performing MOFs.
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关键词
Exhaled anesthetic gas mixture separation,Metal-organic frameworks,High-throughput virtual screening,Structure-performance relationships,Design strategies
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