Mechanisms of ethanol dehydration to ethylene on γ-Al2O3（100）and (110C): A combined DFT and KMC study
Xiuqin Dong, Lu Dong, Qi Fan, Hao Gong
Topics & Concepts
DehydrationAdsorptionEthyleneCatalysisChemistryEthanolAlcoholDehydration reactionDensity functional theoryReaction rateChemical engineeringInorganic chemistryThermodynamicsPhysical chemistryComputational chemistryOrganic chemistryPhysicsEngineeringBiochemistryCatalytic Processes in Materials ScienceZeolite Catalysis and SynthesisCatalysis and Oxidation Reactions