Comparison of desulfurization mechanism in liquid CaO-SiO2 and MnO-SiO2: An ab initio molecular dynamics simulation
Xiaobo He, Sida Ma, Lijun Wang, Hongbiao Dong, Kuo‐Chih Chou
Topics & Concepts
OxygenChemistryFlue-gas desulfurizationValence (chemistry)Ab initioChemical physicsAtom (system on chip)Molecular dynamicsCharge densityDissolutionCrystallographyComputational chemistryPhysical chemistryOrganic chemistryPhysicsEmbedded systemComputer scienceQuantum mechanicsMetallurgical Processes and ThermodynamicsMetal Extraction and BioleachingMinerals Flotation and Separation Techniques