Complete reaction mechanisms of mercury oxidation on halogenated activated carbon

• Main Authors: Rungnim C., Promarak V., Hannongbua S., Kungwan N., Namuangruk S.
• 格式: 雜誌
• 出版: 2017
• 在線閱讀: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84959335928&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/41812

© 2016 Elsevier B.V. The reaction mechanisms of mercury (Hg) adsorption and oxidation on halogenated activated carbon (AC) have been completely studied for the first time using density functional theory (DFT) method. Two different halogenated AC models, namely X-AC and X-AC-X (X = Cl, Br, I), were a...