Selenium migration mechanism in wet FGD slurry: Experimental and DFT analysis.

Selenium (Se) is one of the hazardous trace elements emitted from coal-fired power plants. The Se migration behavior in wet flue gas desulfurization (FGD) slurry is still unclear, and the species of Se in FGD gypsum remains controversial. In this research, the bubbling experiments using simulated slurry with/without gypsum crystallization process were conducted. The experimental results indicated that pure gypsum has poor capability to capture Se components, and only selenite could be trapped in gypsum during its crystal growth stage. Furthermore, the DFT calculation was conducted to provide the microscopic information of Se adsorption and substitution characteristics during gypsum crystallization process. The research findings of this study could help understand the mechanism of Se migration process in FGD slurry, and facilitate the development of effective Se emission control technologies in the future.