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湿法烟气脱硫浆液中硒的迁移机制:实验与密度泛函理论分析。

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

机构信息

Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, China; Key Laboratory of Thermal Science and Power Engineering of the Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, China.

Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, China; Key Laboratory of Thermal Science and Power Engineering of the Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, China; Beijing Engineering Research Center for Ecological Restoration and Carbon Fixation of Saline-alkaline and Desert land, Beijing 100084, China; Shanxi Research Institute for Clean Energy, Tsinghua University, Taiyuan 030000, China.

出版信息

J Hazard Mater. 2022 Feb 15;424(Pt B):127426. doi: 10.1016/j.jhazmat.2021.127426. Epub 2021 Oct 5.

DOI:10.1016/j.jhazmat.2021.127426
PMID:34673395
Abstract

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.

摘要

硒(Se)是燃煤电厂排放的有害痕量元素之一。湿法烟气脱硫(FGD)浆液中硒的迁移行为仍不清楚,FGD 石膏中硒的形态存在争议。本研究采用模拟浆液进行鼓泡实验,考察有无石膏结晶过程。实验结果表明,纯石膏对硒组分的捕集能力较差,只有亚硒酸盐可以在石膏晶体生长阶段被捕获。此外,还进行了 DFT 计算,提供了石膏结晶过程中硒吸附和取代特性的微观信息。本研究的结果有助于理解 FGD 浆液中硒迁移过程的机制,并为未来开发有效的硒排放控制技术提供帮助。

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