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Predicting of Covalent Organic Frameworks for Membrane-based Isobutene/1,3-Butadiene Separation: Combining Molecular Simulation and Machine Learning

Chemical EngineeringMembrane-based Isobutene/1,3-butadiene SeparationEngineeringMachine LearningMolecular SievingCovalent Bonded FrameworkSelective SeparationSeparation TechnologyOrganic ChemistryCovalent Organic FrameworksMolecular SimulationComputational ChemistryChemistryMolecular EngineeringMolecular DynamicsMolecular Design