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Preparation of a novel iron oxychloride (FeOCl) auxiliary electrode in promoting electrokinetic remediation of Cr(VI) contaminated soil: An experimental and DFT calculation analysis

电动修复 电动现象 电极 环境修复 兴奋剂 扩散 化学 化学工程 材料科学 分析化学(期刊) 无机化学 污染 纳米技术 环境化学 光电子学 物理化学 热力学 阳极 物理 工程类 生物 生态学
作者
Dingsheng Zhao,Xiao Liu,Bincheng Zhao,Jinhui Xue,Zhuang Yan,Ziwen Hong,Guangqun Zhai,Mingguo Peng,Wenyi Zhang,Linchao Hu,Linqiang Mao
出处
期刊:Journal of Hazardous Materials [Elsevier BV]
卷期号:443: 130152-130152 被引量:16
标识
DOI:10.1016/j.jhazmat.2022.130152
摘要

The utilization of auxiliary electrode can improve substantially the electrokinetic remediation efficiency of heavy metal contaminated soil. The increase in the auxiliary electrode performance is the key to further promote the electrokinetic remediation efficiency. In this study, two kinds of auxiliary electrodes, pure FeOCl and doped FeOCl with W and S, were prepared and used in the electrokinetic remediation of Cr(VI) contaminated soil. The system equipped with the auxiliary electrode doped FeOCl brought more stable system current (202 mA) and more uniform electric field than blank group (130 mA). The reduction rate of Cr(VI) was increased by 50% due to the presence of Fe2+ and S2-. The accelerating migration of ions by auxiliary electrode was responsible for the improvement in electrokinetic remediation efficiency. Density functional theory (DFT) calculation showed that Cl vacancy formation energies of pure FeOCl, S-doped FeOCl (S/FeOCl) and W-doped FeOCl (W/FeOCl) were 1.29, 1.15 and 1.49 eV respectively, and the ion diffusion barriers were 0.093, 0.099 and 0.148 eV respectively. Calculation results indicated that the doping of S was conducive to the diffusion of Cl ions, and the bonding of W-Cl was stronger than Fe-Cl. The charging and discharging process of auxiliary electrode became easier due to the formation of lower vacancy in S-doped FeOCl, which could bring a higher current for the electrokinetic remediation system. The electrochemical performance of FeOCl doped with W and S was improved obviously. This study provided a further explanation for the positive role of auxiliary electrode in electrokinetic remediation system.
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