SO2在CaO表面的吸附机理研究

SO2 is a kind of serious air pollutants, and coal-fired power plants is a major source of emissions. In the power plant, fluidized bed desulfurization limestone is one of the most common method used. There are a lot of researches associated with fluidized bed desulfurization limestone, but analysis related reaction from the microcosmic is not common. In this thesis, the current research status of reaction is introduced. Based on density functional theory, the paper analyzed the CaO desulfurization reaction mechanism. In this thesis, CaO, SO2 was set up and optimized. The model of SO2 adsorbed on CaO was optimized, and then adsorption can was calculated. Finally the obtained data were analyzed.