Adsorption mechanism of As2O3 on metal oxides (CaO, γ-Al2O3, α-Fe2O3): A density functional theory study
Shilin Zhao, Yuchen Wang, Xingyu Xie, Xiaoshuo Liu, Yiren Liao, Hanzi Liu, Zhiqiang Sun
Topics & Concepts
AdsorptionDensity functional theoryChemisorptionMetalChemistryFlue gasGibbs free energyInorganic chemistryMaterials scienceChemical engineeringPhysical chemistryComputational chemistryThermodynamicsOrganic chemistryEngineeringPhysicsCoal and Its By-productsArsenic contamination and mitigationMercury impact and mitigation studies