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Kinetic effects of molecular clustering and solvation by extended networks in zeolite acid catalysis

Jason S. Bates, Rajamani Gounder

2021Chemical Science44 citationsDOIOpen Access PDF

Abstract

Reactions catalyzed within porous inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, collectively referred to as "solvent effects". Transition state theory treatments define how solvation phenomena enter kinetic rate expressions, and identify two distinct types of solvent effects that originate from molecular clustering and from the solvation of such clusters by extended solvent networks. We review examples from the recent literature that investigate reactions within microporous zeolite catalysts to illustrate these concepts, and provide a critical appraisal of open questions in the field where future research can aid in developing new chemistry and catalyst design principles.

Topics & Concepts

SolvationZeoliteCatalysisCluster analysisChemistryComputational chemistryComputer scienceOrganic chemistryMoleculeArtificial intelligenceZeolite Catalysis and SynthesisSurface Chemistry and CatalysisCatalysis and Hydrodesulfurization Studies
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