Global optimization of extraframework ensembles in zeolites: structural analysis of extraframework aluminum species in MOR and MFI zeolites
Elena V. Khramenkova, Harshini Venkatraman, Victor Soethout, Evgeny A. Pidko
Abstract
An expert bias-free operando computational modelling study of the structure and stability of extraframework aluminum species in the pores of mordenite and ZSM-5 zeolites is presented.
Topics & Concepts
ZeoliteAluminiumChemistryMolecular sieveCrystallographyMaterials scienceChemical engineeringInorganic chemistryPhysical chemistryCatalysisOrganic chemistryAdsorptionEngineeringZeolite Catalysis and SynthesisCatalytic Processes in Materials ScienceChemical Synthesis and Characterization