Insights into reactive behaviors and mechanisms of nickel-based oxygen carriers doped by Fe/Co during chemical looping combustion from multiple-scale molecular modeling combined with experiments
Jinpeng Zhang, Hui Zhang, Nini Yuan, Liangliang Meng, Chang Geng, Hongcun Bai
Topics & Concepts
NickelChemical looping combustionReaxFFGravimetric analysisCombustionChemistryDensity functional theoryCobaltDecompositionActivation energyDopingOxygenChemical engineeringMoleculeMaterials sciencePhysical chemistryChemical physicsInorganic chemistryComputational chemistryOrganic chemistryEngineeringOptoelectronicsHydrogen bondChemical Looping and Thermochemical ProcessesThermal and Kinetic AnalysisCatalytic Processes in Materials Science