A computational investigation on the roles of binding affinity and pore size on CO2/N2 overall adsorption process performance of MOFs through modifying MIL-101 structure
Mina Sedighi, Mohammad Reza Talaie, Hassan Sabzyan, Seyed Foad Aghamiri
Topics & Concepts
AdsorptionPhysisorptionDensity functional theoryMetal-organic frameworkChemistrySelectivityLinkerComputational chemistryMoleculeSurface modificationAtom (system on chip)van der Waals forceMetalAccessible surface areaNanotechnologyChemical engineeringMaterials sciencePhysical chemistryOrganic chemistryCatalysisEngineeringOperating systemComputer scienceEmbedded systemMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesMembrane Separation and Gas Transport