Differences in anodizing of two copper-containing coordination compounds by different degradation factors: Experiments and DFT calculations

doi:10.1016/j.jclepro.2024.142969

	Differences in anodizing of two copper-containing coordination compounds by different degradation factors: Experiments and DFT calculations
	Bi, Haodong 1; Zhao, Xu 1; Xu, Dandan 1; Liu, Jianli 1; He, Zhenglei 2; An, Lihui 3; Zhu, Bo 1; Sun, Chang 1; Li, Zhengxin4
	2024-08-25
发表期刊	JOURNAL OF CLEANER PRODUCTION (IF:9.7[JCR-2023],10.2[5-Year])
ISSN	0959-6526
EISSN	1879-1786
卷号	468
发表状态	已发表
DOI	10.1016/j.jclepro.2024.142969
摘要	Copper phthalocyanine (CuPc) and copper formazan (CuFz) are typical coordination compounds widely utilized due to their physicochemical properties and biochemical behavior. The production and application of CuPc and CuFz have produced large amounts of copper-containing wastewater and aromatic organics, posing great risks to human health and the environment. This research introduced a feasible and efficient treatment method based on BDD anodic oxidation for CuPc and CuFz wastewater and provided a novel perspective on the degradation differences of the two pollutants through DFT calculation. Firstly, the color removal efficiency and chemical oxygen demand (COD) during the anodic oxidation of the two molecules were compared. Secondly, the effect of pH, inorganic anions type, and current density on the oxidative degradation of CuPc and CuFz was discussed. Thirdly, cyclic voltammetry (CV) was carried out to evaluate the direct anodic oxidation speed of CuPc and CuFz. Then, the principal reactive oxygen species (ROS) of CuPc and CuFz in the indirect oxidation process were investigated through free radical quenching and Electron paramagnetic resonance (EPR) spectroscopy. The functional group changes in degradation, the degradation products, and the shed copper ions were also analyzed. Finally, the global, local, and condensed properties and CuPc and CuFz reaction sites to be attacked by ROS were theoretically analyzed using density functional theory (DFT) calculation. Altogether, this study can help broaden the discussion and further the understanding of the links between the electrochemical oxidation pathway and decolorization of coordination compounds. © 2024 Elsevier Ltd
关键词	Chemical oxygen demand Copper compounds Cyclic voltammetry Degradation Density functional theory Electron spin resonance spectroscopy Free radicals Health risks Metal ions Oxygen Paramagnetic resonance Physicochemical properties Wastewater treatment Coordination compounds Copper formazan Copper ion coordination compound Copper ions Copper phthalocyanine Copper recovery Copper-phthalocyanine Density-functional theory calculations Formazan Reactive oxygen species
URL	查看原文
收录类别	SCI ; EI
语种	英语
资助项目	Jiangsu Province Postgraduate Research and Practical Innovation Plan Project[
WOS研究方向	Science & Technology - Other Topics ; Engineering ; Environmental Sciences & Ecology
WOS类目	Green & Sustainable Science & Technology ; Engineering, Environmental ; Environmental Sciences
WOS记录号	WOS:001266401200001
出版者	Elsevier Ltd
EI入藏号	20242716653673
EI主题词	Electrochemical oxidation
EI分类号	452.4 Industrial Wastes Treatment and Disposal ; 461.7 Health Care ; 531.1 Metallurgy ; 701.2 Magnetism: Basic Concepts and Phenomena ; 801 Chemistry ; 801.4 Physical Chemistry ; 801.4.1 Electrochemistry ; 802.2 Chemical Reactions ; 804 Chemical Products Generally ; 922.1 Probability Theory ; 931.3 Atomic and Molecular Physics ; 931.4 Quantum Theory ; Quantum Mechanics
原始文献类型	Journal article (JA)
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/401470
专题	信息科学与技术学院信息科学与技术学院_PI研究组_高盛华组
通讯作者	Liu, Jianli; He, Zhenglei; Sun, Chang
作者单位	1.College of Textile Science and Technology, Jiangnan University, Jiangsu, 214122, China; 2.State Key Laboratory of Pulp and Paper Engineering, South China University of Technology, Guangzhou; 510640, China; 3.State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing; 100012, China; 4.School of Information Science and Technology, ShanghaiTech University, Shanghai; 201210, China
推荐引用方式 GB/T 7714	Bi, Haodong,Zhao, Xu,Xu, Dandan,et al. Differences in anodizing of two copper-containing coordination compounds by different degradation factors: Experiments and DFT calculations[J]. JOURNAL OF CLEANER PRODUCTION,2024,468.
APA	Bi, Haodong.,Zhao, Xu.,Xu, Dandan.,Liu, Jianli.,He, Zhenglei.,...&Li, Zhengxin.(2024).Differences in anodizing of two copper-containing coordination compounds by different degradation factors: Experiments and DFT calculations.JOURNAL OF CLEANER PRODUCTION,468.
MLA	Bi, Haodong,et al."Differences in anodizing of two copper-containing coordination compounds by different degradation factors: Experiments and DFT calculations".JOURNAL OF CLEANER PRODUCTION 468(2024).