DFT and Experimental Studies on the Mechanism of Mercury Adsorption on O₂-/NO-Codoped Porous Carbon.

ABSTRACT: The utilization of O₂ and NO in flue gas to activate the raw porous carbon with auxiliary plasma contributes to an effective mercury (Hg)-removal strategy. The lack of in-depth knowledge on the Hg adsorption mechanism over the O₂-/NO-codoped porous carbon severely limits the development of a more effective Hg removal method and the potential application. Therefore, the generation processes of functional groups on the surface during plasma treatment were investigated and the detailed roles of different groups in Hg adsorption were clarified. The theoretical results suggest that the formation of functional groups is highly exothermic and they preferentially form on a carbon surface, and then affect Hg adsorption. The active groups affect Hg adsorption in a different man

SUBMITTER: Liu H 

PROVIDER: S-EPMC8154138 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature