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Enhanced debromination of 2,2’,4,4’-tetrabromodiphenyl ether(BDE-47)by zero-valent zinc with ascorbic acid

Frontiers of Environmental Science & Engineering 2020年第3期14卷 127-139页

作者： Chaojin Jiang Xiaoqian Jiang Lixun Zhang Yuntao Guan Guangdong Provincial Engineering Technology Research Center for Urban Water Cycle and Water Environment Safety Tsinghua Shenzhen International Graduate SchoolShenzhen 518055China State Environmental Protection Key Laboratory of Microorganism Application and Risk Control School of EnvironmentTsinghua UniversityBeijing 100084China

A new technique of zero-valent zinc coupled with ascorbic acid(ZVZ/AA)was developed and applied to debrominate the 2,2,,4,4,-Tetrabromodiphenyl ether(BDE-47),which achieved high conversion and rapid debromination of BDE-47 to less-or non-toxic *** reaction conditions were optimized by the addition of 100 mg/L Z V Z particles and 3 mmol/L A A at original solution p H=4.00 using the solvent of methanol/H2O(v:v=4:6),which could convert approximately 94%of 5 mg/L BDE-47 into lower-brominated diphenyl ethers within a 90 min at the ZVZ/AA *** high debromination of BDE-47 was mainly attributed to the effect of A A that inhibits the formation of Zn(Ⅱ)(hydr)oxide passivation layers and promotes the corrosion of ZVZ,which leads to increase the reactivity of ***,ion chromatography and gas chromatography mass spectrometry analyses revealed that bromine ion and lower-debromination diphenyl ethers formed during the reduction of ***,based on the generation of the intermediates products,and its concentration changes over time,it was proposed that the dominant pathway for conversion of BDE-47 was sequential debromination and the final products were diphenyl *** results suggested that the ZVZ/AA system has the potential for highly efficient debromination of BDE-47 from wastewater.

关键词： 2,2,,4,4,-tetrabromodiphenyl ether(BDE-47) Ascorbic acid reductive debromination Zero-valent zinc

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Density Functional Theory Study of Marine Polybrominated Diphenyl Ethers in Anaerobic Degradation

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Journal of Ocean University of China 2023年第5期22卷 1353-1360页

作者： XU Xiang MAN Miaomiao SUN Qinxing LIU Qingzhi WU Kechen YANG Dengfeng College of Chemistry and Pharmaceutical Sciences Qingdao Agricultural UniversityQingdao 266109China Fujian Key Laboratory of Functional Marine Sensing Materials Minjiang UniversityFuzhou 350108China

Polybrominated diphenyl ethers(PBDEs)are a kind of serious pollutants in the *** is considered as an economical and safe way for PBDEs removal and reductive debromination dominates the initial pathway of anaerobic *** the basis of experimental study,Octa-BDE 197,Hepta-BDE 183,Hexa-BDE 153,Penta-BDE 99 and Tetra-BDE 47 were selected as the initial degradation objects,and their debromination degradation were studied using density functional *** structures were optimized by Gaussian 09 ***,the molecular orbitals and charge distribution were *** C-Br bond dissociation energies at different positions including ortho,meta and para bromine atoms were calculated and the sequence of debromination was *** is a close relationship between molecular structure,charge,molecular orbital and C-Br *** PBDEs exhibited similar debromination pathways with preferential removal of meta and para bromines.

关键词： polybrominated diphenyl ethers reductive debromination anaerobic degradation density functional theory bond dissociation energies

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