A DFT-based microkinetic theory for Fe2O3 reduction by CO in chemical looping
Yang Wang, Zhenshan Li
Topics & Concepts
Chemical looping combustionTransition state theoryDensity functional theoryElementary reactionChemistryReaction rate constantThermodynamicsChemical kineticsReaction rateRedoxRate equationChemical reactionKineticsPhysical chemistryComputational chemistryCombustionPhysicsCatalysisInorganic chemistryQuantum mechanicsBiochemistryChemical Looping and Thermochemical ProcessesThermal and Kinetic AnalysisNuclear Materials and Properties