Combined GCMC, MD, and DFT Approach for Unlocking the Performances of COFs for Methane Purification
Ömer Faruk Altundal, Zeynep Pinar Haslak, Seda Keskın
Abstract
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Topics & Concepts
AdsorptionMethaneChemistryDensity functional theoryAromaticitySelectivityCovalent bondVacuum swing adsorptionPressure swing adsorptionChemical engineeringMoleculeComputational chemistryPhysical chemistryOrganic chemistryCatalysisEngineeringMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsCarbon Dioxide Capture Technologies