Evaluating equilibrium and kinetics of CO2 and N2 adsorption into amine-functionalized metal-substituted MIL-101 frameworks using molecular simulation
Mina Sedighi, Mohammad Reza Talaie, Hassan Sabzyan, Seyed Foad Aghamiri, Pu Chen
Topics & Concepts
AdsorptionChemistryAmine gas treatingMoleculeMulliken population analysisThermodynamicsMolecular dynamicsPhysical chemistryPopulationComputational chemistryDiffusionKineticsOrganic chemistryPhysicsQuantum mechanicsDemographySociologyMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesMembrane Separation and Gas Transport