Insights into adsorption of various gases on extra-framework cations of zeolite: A dispersion corrected DFT study on zeolite cluster models with Li <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si320.svg" display="inline" id="d1e903"> <mml:msup> <mml:mrow/> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:math> , Na <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si320.svg" display="inline" id="d1e911"> <mml:msup> <mml:mrow/> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:math> and K <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si320.svg" display="inline" id="d1e919"> <mml:msup> <mml:mrow/> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:math> charge compensating ions
George Devasia, Ravi Kumar, Nayana Vaval, Saïlaja Krishnamurty
Topics & Concepts
AdsorptionZeoliteMolecular sieveCationic polymerizationSorptionChemistryDispersion (optics)Density functional theoryCluster (spacecraft)Inorganic chemistryIon exchangePhysical chemistryIonCatalysisComputational chemistryOrganic chemistryPhysicsComputer scienceProgramming languageOpticsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesZeolite Catalysis and Synthesis