Adsorption mechanism of As2O3 by Ca-Si-Al mineral: An experimental and DFT study

Guochang Song, Xingyu Yang, Zhong-wei Li, Qiang Song, Qiang Song

2023Journal of environmental chemical engineering12 citationsDOI

Topics & Concepts

AdsorptionChemistryArsenicDensity functional theoryMulliken population analysisMoleculeMineralInorganic chemistryCoalChemical engineeringPhysical chemistryComputational chemistryOrganic chemistryEngineeringCoal and Its By-productsArsenic contamination and mitigationMercury impact and mitigation studies