Quantitative Evidence to Challenge the Traditional Model in Heterogeneous Catalysis: Kinetic Modeling for Ethane Dehydrogenation over Fe/SAPO-34
Peng Chen, Ying Liu, Yarong Xu, Chenxi Guo, P. Hu
Abstract
* is a favored intermediate. Perhaps more importantly, we reveal that the traditional model to describe catalytic reactions in heterogeneous catalysis cannot be used for the kinetics of the system and it may not be appropriate for many real catalytic systems. This work not only builds a framework for accurate kinetic simulations in zeolites, but also emphasizes an important concept beyond the traditional model.
Topics & Concepts
DehydrogenationKinetic energyCatalysisZeoliteWork (physics)Kinetic Monte CarloComputational chemistryChemistryKineticsHeterogeneous catalysisThermodynamicsChemical physicsOrganic chemistryPhysicsMonte Carlo methodQuantum mechanicsMathematicsStatisticsCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsZeolite Catalysis and Synthesis