Effect of calcium aluminates on the structure evolution of CaO during the calcium looping process: A DFT study
Xiaotong Ma, Xingkang Huang, Haoran Zhang, Xiude Hu, Tai Feng
Topics & Concepts
AdsorptionEnthalpyDensity functional theoryCalciumChemistryChemical bondGibbs free energyMaterials sciencePhysical chemistryThermodynamicsComputational chemistryOrganic chemistryPhysicsChemical Looping and Thermochemical ProcessesCarbon Dioxide Capture TechnologiesThermal Expansion and Ionic Conductivity