Complete reaction mechanisms of mercury oxidation on halogenated activated carbon

• المؤلفون الرئيسيون: Chompoonut Rungnim, Vinich Promarak, Supa Hannongbua, Nawee Kungwan, Supawadee Namuangruk
• التنسيق: دورية
• منشور في: 2018
• الموضوعات: Environmental Science
• الوصول للمادة أونلاين: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84959335928&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/55861

© 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...