Journal of the American Chemical Society · 2007 · 538 citations · 25 references
Natural SciencesChemistryMaterials ScienceCrystal StructureMaterials ChemistrySurface ScienceAdsorption At InterfacesIntermolecular ForcesMolecular DynamicsSolid-gas InterfacesSurface AdsorptionSurface PhysicsAdsorption BehaviorAdsorption IsothermsAdsorption ThermodynamicsGas AdsorptionIsotherm ModelingMetal-organic Framework AdsorptionMetal-organic FrameworksSurface Adsorption Isotherms
Adsorption isotherms for CO 2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible for the steps in this system.
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