祖鸿霄论文“The influences of selenium species on mercury removal over pyrite surface: A density functional theory study”被Fuel（IF：5.587）接收发表（2021.05.15）
发布时间：2021-01-21
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简介：Elemental mercury (Hg0) and selenium species (Se0 and SeO2) are two typical unsolved pollutants in coal combustion flue gas due to their high volatility. The interactions between Hg0 and selenium species play an important role in the mercury pollution control. Thus, the co-adsorption of Hg0 and selenium species on pyrite surface was calculated based on density functional theory (DFT), and the role of selenium species on Hg0 adsorption was systematically investigated.
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