Machine learning accelerated high-throughput screening of zeolites for the selective adsorption of xylene isomers
Daniel Hewitt, Tom Pope, Misbah Sarwar, Alessandro Turrina, Ben Slater
Abstract
-xylene than ZSM-5 which may provide an impetus for synthetic efforts to realise these promising materials. Moreover, the leading hypothetical frameworks identified from the screening procedure require a markedly lower operating temperature to achieve the diffusion seen in existing materials, suggesting significant energetic savings if the frameworks can be realised.
Topics & Concepts
AdsorptionThroughputChemistryHigh-throughput screeningXylenep-XyleneCombinatorial chemistryOrganic chemistryCatalysisComputer scienceTolueneBiochemistryTelecommunicationsWirelessZeolite Catalysis and SynthesisCatalysis and Oxidation ReactionsMetal-Organic Frameworks: Synthesis and Applications