2022•Proceedings of the Combustion InstituteRequires access

A DFT-based microkinetic theory for Fe2O3 reduction by CO in chemical looping

Yang Wang, Zhenshan Li

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Key concepts: Chemical looping combustion, Transition state theory, Density functional theory, Elementary reaction, Chemistry, Reaction rate constant, Thermodynamics, Chemical kinetics

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A DFT-based microkinetic theory for Fe2O3 reduction by CO in chemical looping — Research Paper | ScholarLens