The effect of Cu on NO reduction by char with density functional theory in carbonation stage of calcium looping
Yuzhuo Wang, Yingjie Li, Wan Zhang, Xiaotong Ma, Zeyan Wang
Topics & Concepts
CharCarbonationChemistryDensity functional theoryAdsorptionGibbs free energyInorganic chemistryChemical engineeringPhysical chemistryComputational chemistryCoalThermodynamicsOrganic chemistryPhysicsEngineeringChemical Looping and Thermochemical ProcessesCatalytic Processes in Materials ScienceThermal and Kinetic Analysis