UV/H_(2)O_(2)体系对水中卤代苯醌类消毒副产物的降解路径与产物毒性预测评价  

Prediction of Degradation Pathway and Evaluation of Product Toxicity of Haloquinone Disinfection by Products in Water During UV/H_(2)O_(2)Process

作　　者：郭雨欣 黄锦焘 刘梦霏 孙启元[1,2] 王菲凤 蔡开聪[4] GUO Yuxin;HUANG Jintao;LIU Mengfei;SUN Qiyuan;WANG Feifeng;CAI Kaicong(College of Environmental and Resource Sciences/College of Carbon Neutral Modern Industry,Fujian Normal University,Fuzhou 350117,China;Fujian Provincial Key Laboratory of Pollution Control&Resource Reuse(Fujian Normal University),Research Center of Urban Waste Resource Recycling Technology and Management Engineering in Universities of Fujian Province,Fuzhou 350117,China;Fuzhou Water Quality Monitoring Co.,Ltd,Fuzhou 350007,China;College of Chemistry and Materials Science,Fujian Normal University,Fuzhou 350117,China)

机构地区：[1]福建师范大学环境与资源学院/碳中和现代产业学院,福建福州350117 [2]福建省污染控制与资源循环利用重点实验室,福建省高校城市废物资源化技术与管理工程研究中心,福建福州350117 [3]福州水质监测有限公司,福建福州350007 [4]福建师范大学化学与材料学院,福建福州350117

出　　处：《福建师范大学学报（自然科学版）》2024年第5期111-119,共9页Journal of Fujian Normal University：Natural Science Edition

基　　金：国家自然科学基金面上项目(52070044);福建省自然科学基金资助项目(2021J01201);福建省杰出青年科学基金资助项目(21K2060203)。

摘　　要：卤代苯醌是一种新型的饮用水消毒副产物,选用两种代表性的卤代苯醌--2,6-二氯苯醌(2,6-DCBQ)和2,6-二溴苯醌(2,6-DBBQ)为目标污染物,探究UV/H_(2)O_(2)体系对2,6-DCBQ、2,6-DBBQ的降解路径与产物毒性。Gaussian模型及其热力学反应计算结果表明,HO·倾向于先通过争夺DCBQ和DBBQ分子苯环上C-H键的氢原子发生取代反应,然后通过C-Cl键脱卤而继续降解;ECOSAR模型评估结果显示,DCBQ和DBBQ降解产物的急性和慢性毒性普遍低于其母体化合物,说明UV/H_(2)O_(2)体系对于卤代苯醌类消毒副产物能有效降解且减毒。Halogenated benzoquinones(HBQs)have emerged as a novel disinfection by-product in drinking water.This study focuses on two representative halobenzoquinones,namely 2,6-dichlorobenzoquinone(2,6-DCBQ)and 2,6-dibromobenzoquinone(2,6-DBBQ),to investigate the degradation pathways and toxicological implications of these byproducts during the UV/H_(2)O_(2)process.Utilizing the Gaussian model and thermodynamic reaction calculations,the findings suggest that hydroxyl radicals(HO·)primarily engage in substitution reactions by targeting hydrogen atoms in the C-H bonds of the benzene ring of DCBQ and DBBQ molecules.This is followed by cleavage of the C-Cl bonds,leading to effective dehalogenation.Evaluation with the ECOSAR model indicates that the acute and chronic toxicity levels of the degradation products of DCBQ and DBBQ are generally lower than those of their parent compounds,demonstrating that the UV/H_(2)O_(2)process efficiently degrades halogenated benzoquinones.

关 键 词：卤代苯醌 消毒副产物 降解产物 高级氧化 Gaussian模型 ECOSAR模型 

分 类 号：X-1[环境科学与工程] O6[理学—化学]