Identifying factors controlling the selective ethane dehydrogenation on Pt-based catalysts from DFT based micro-kinetic modeling
Tao Wang, Frank Abild‐Pedersen
Topics & Concepts
DehydrogenationCatalysisSelectivityKineticsKinetic energyChemistryDensity functional theoryMaterials scienceComputational chemistryPhysical chemistryChemical engineeringOrganic chemistryPhysicsQuantum mechanicsEngineeringCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsCatalysts for Methane Reforming