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Adsorption Reaction Mechanism of the Flue Gas Mercury on SCR Catalyst

Author: HeMingFeng
Tutor: LiuJing
School: Huazhong University of Science and Technology
Course: Thermal Power Engineering
Keywords: coal combustion mercury SCR catalyst V2O5 adsorption
CLC: X773
Type: Master's thesis
Year: 2011
Downloads: 151
Quote: 1
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Abstract


Mercury emissions are of global concern due to their toxicity, ability to be transported in the environment, adverse effects on the ecosystem and its neurological health impacts. The mechanism of release, emission and control of mercury is still unclear. SCR（Selective Catalytic Reduction） have been shown to be effective in oxidizing mercury that can be subsequently captured in downstream wet flue gas desulfurization （WFGD） system. In this work, we focused on describing the mechanism of the heterogeneous reaction of mercury adsorption and oxidation on SCR catalyst.The adsorption of Hg, HgCl, HgCl2, and HCl on the SCR catalyst were studied with the application of DFT（Density Functional Theory） . The results show that the adsorption of Hg on the surface is stronger than that of HCl, and Hg adsorption on the V2O5 surface reaction is the first step in the oxidation reaction of Hg on the surface. The adsorption HgCl and HgCl2 on the surface are chemisorption, the adsorption of HgCl is stronger than that of HgCl2. This indicates that the adsorption geometry of HgCl is an important intermediate state during the reaction process.The effects of halogen elements, NH3, SO2 and NO on Hg adsorption on V2O5 surface were investigated. The results showed that HCl promotes the adsorption of Hg. Compared with HCl, HBr and HI promote the adsorption of Hg more strongly. NH3 adsorption inhibits the adsorption and oxidation of Hg, due to a certain competitive adsorption between Hg and NH3 on the V2O5 surface. SO2 and NO have no significant effects on the adsorption of Hg.We obtained the transition state structure of Hg oxidation reaction, and proposed a possible Hg oxidation mechanism on the V2O5 surface. Deacon reaction mechanism was also studied on the V2O5 surface. The activation energies were calculated. This study provide a basic theory for predicting mercury oxidation on the V2O5 surface.

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CLC: > Environmental science, safety science > Processing and comprehensive utilization of waste > Power of industrial waste treatment and comprehensive utilization > Electric Power Industry
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