电力科技与环保2025，Vol.41Issue(4)：542-551,10.DOI:10.19944/j.eptep.1674-8069.2025.04.003
FeCl3改性水热炭的制备及其脱除Hg0机理研究
Study on preparation of FeCl3 modified hydrothermal carbon and its Hg0 removal mechanism
摘要
Abstract
[Objective]Mercury,a toxic heavy metal with bioaccumulative and long-range transport capabilities,is predominantly emitted from coal-fired boilers.Under carbon neutrality initiatives,developing cost-effective mercury sorbents using zero-carbon biomass resources has become critical for controlling Hg0 emissions from coal flue gas.[Methods]Herein,FeCl3-modified hydrochar(Fe1.3-HC)was synthesized from wood waste via hydrothermal carbonization.Its Hg0 removal performance was systematically evaluated in a fixed-bed experimental system under varying temperatures(50-250℃),inlet Hg0 concentrations(15.4-44.9 μg/m3),and SO2 levels(0-2 400 mg/m3).Quantum chemical calculations were conducted to elucidate the adsorption mechanism.[Results]Fe1.3-HC exhibited exceptional Hg0 removal efficiency(>98%)across tested conditions.O2 enhanced Hg0 oxidation,while SO2 promoted Hg fixation via HgSO4 formation.DFT calculations identified Fe-top sites on α-Fe2O3(0 0 1)as preferential sites for Hg0 chemisorption,with strong adsorption energy(-53.21 kJ/mol),short Hg-O bond length(2.760 Å),and significant charge transfer(0.31 e).PDOS analysis confirmed orbital hybridization between Hg0 and Fe/O atoms,forming stable chemical bonds,The strong interaction mechanism of Hg0 with Fe and O atoms is verified from the electronic scale.[Conclusion]This work optimized FeCl3-modified hydrochar synthesis parameters and deciphered its Hg0 removal mechanism,providing experimental and theoretical foundations for developing sulfur-resistant,wide-temperature-adaptable sorbents for industrial mercury control.关键词
水热炭/氯化铁改性/脱汞机理/量子化学计算Key words
hydrochar/ferric chloride modification/mercury removal mechanism/quantum chemical calculations分类
能源科技引用本文复制引用
袁圣陶,张子琪,宋佰真,武桥楠,陈耀文,王澍,周强..FeCl3改性水热炭的制备及其脱除Hg0机理研究[J].电力科技与环保,2025,41(4):542-551,10.基金项目
国家自然科学基金项目(51906115) （51906115）
江苏省高等学校自然科学基金项目(23KJB470026) （23KJB470026）
