Kinetics of non-oxidative propane dehydrogenation on Cr2O3 and the nature of catalyst deactivation from first-principles simulations
Matej Huš, D. Kopač, Blaž Likozar
Topics & Concepts
DehydrogenationChemistryPropeneCatalysisEndothermic processExothermic reactionPropaneTransition statePhotochemistryHeterogeneous catalysisReaction rateComputational chemistryPhysical chemistryAdsorptionOrganic chemistryCatalysis and Oxidation ReactionsCatalytic Processes in Materials ScienceZeolite Catalysis and Synthesis