The Effect of CaBr2 on Mercury Speciation in Flue Gas: An Experimental and DFT Study
Jun Zhong1, Fangyong Li1, Weijie Yang2, *
1 Electric Power Science Research Institute of Guangdong Power Grid Co. Ltd., Guangzhou, China
2 School of Energy and Power Engineering, North China Electric Power University, Baoding, China
Abstract
Background:
Additives affect the formation of different mercury speciation in coal-fired derived flue gas.
Objective:
In order to study the effect of the additive CaBr2 content, the Ontario Hydro Method (OHM) method has been applied to analyze the mercury speciation at the entrance and export of denitration (SCR).
Method:
Density Functional Theory (DFT) has been used to study the adsorption of mercury halide on unburned carbon surface.
Result:
The results show that along with the increasing amount of additive CaBr2, there is an increasing trend of the ratio of Hg2+ in flue gas.
Conclusion:
CaBr2 addition contributes to oxidize Hg 0 to Hg2+ and increase the mercury concentration through SCR. DFT results indicate that the adsorption of HgBr and HgBr2 on unburned carbon surface is chemisorption, and Br-C bond is stronger than Hg-C bond, both these bonds are covalent interaction.
Keywords: Additive CaBr2, Mercury speciation, Flue gas, DFT, AIM, Ontario Hydro Method (OHM).
Article Information
Article History:
Received Date: 28/9/2017
Revision Received Date: 15/01/2018
Acceptance Date: 18/01/2018
Electronic publication date: 28/02/2018
Collection year: 2018
© 2018 Zhong et al.
open-access license: This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 International Public License (CC-BY 4.0), a copy of which is available at:
https://creativecommons.org/licenses/by/4.0/legalcode. This license permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
* Address correspondence to this author at the School of Energy and Power Engineering, North China Electric Power University, Baoding, China, Tel: 18331121421; Emails: 394890445@qq.com; 18331121421@163.com
Open Peer Review Details |
Manuscript submitted on 28-9-2017 |
Original Manuscript |
The Effect of CaBr2 on Mercury Speciation in Flue Gas: An Experimental and DFT Study |