化学学报 ›› 2019, Vol. 77 ›› Issue (8): 705-716.DOI: 10.6023/A19030073 上一篇    下一篇

综述

废水中有机污染物降解机理的研究方法

李午阳, 徐乐瑾   

  1. 华中科技大学 能源与动力工程学院核工程与核技术系 武汉 430074
  • 收稿日期:2019-03-01 出版日期:2019-08-15 发布日期:2019-05-08
  • 通讯作者: 徐乐瑾 E-mail:xulejin@hust.edu.cn
  • 作者简介:李午阳,2017年6月于燕山大学获得学士学位,2017年9月至今在华中科技大学徐乐瑾副教授课题组攻读硕士学位.主要研究兴趣为量子化学计算模拟及其在水处理领域的应用;徐乐瑾,博士,副教授.2005年和2008年于浙江工业大学获得学士和硕士学位.2008年至2012年在清华大学核能与新能源技术研究院学习并获得博士学位.2012年至2016年6月在清华大学核科学与技术博士后流动站王建龙教授课题组从事博士后研究工作.2016年7月加入华中科技大学能源与动力工程学院.主要研究兴趣为放射性废物处理及水处理技术.
  • 基金资助:

    项目受国家自然科学基金(No.51708238)资助.

Research Methods for the Degradation Mechanism of Organic Pollutants in Wastewater

Li Wuyang, Xu Lejin   

  1. Department of Nuclear Engineering and Technology, School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan 430074, China
  • Received:2019-03-01 Online:2019-08-15 Published:2019-05-08
  • Contact: 10.6023/A19030073 E-mail:xulejin@hust.edu.cn
  • Supported by:

    Project supported by the National Natural Science Foundation of China (No. 51708238).

我国废水排放总量较大,且废水中含有的多种有机污染物一直是人类生命健康的潜在威胁,因此对废水处理的研究必不可少,而理解废水中有机污染物的降解机理是处理各种废水的基础.本综述概述了国内外针对各种有机污染物降解机理的研究方法,主要包括实验手段和计算模拟两大类.实验手段中主要采用光谱分析技术检测有机污染物降解过程中生成的中间产物,进而推测有机污染物的降解路径.但是由于实验条件和实验方法的不同,对于同种物质的降解机理研究,不同的实验结果存在着争议.基于量子化学计算、定量构效关系模型(QSAR)、定量结构-生物降解性能关系模型(QSBR)、统计分子碎化模型(SMF)等计算模拟方法为有机污染物降解机理的研究提供了新的方法.将实验手段和计算模拟有机结合起来,可为有机污染物的降解机理研究提供参考和指导.

关键词: 降解机理, 有机污染物, 研究方法, 光谱分析技术, 量子化学计算

The total discharge of Chinese industrial wastewater is large, and the various organic pollutants contained in wastewater have always been a potential threat to human health. Therefore, it is necessary to develop various technologies for wastewater treatment, especially to study the degradation mechanism of organic pollutants. This paper summarizes the research methods for the degradation mechanism of various organic pollutants in wastewater, including experimental methods and computational simulations. In the experiments, spectral analysis techniques are mainly used to detect the intermediates produced during the degradation of organic pollutants, and then the degradation pathways of organic pollutants are deduced. However, due to the different experimental conditions and experimental methods, the degradation pathways of the same pollutant obtained from the different experiments are controversial. Computational simulations, based on the quantum chemical calculation, quantitative structure-activity relationship model, quantitative structure-biodegradation relationship model and statistical molecular fragmentation model, provide a new method for studying the degradation mechanism of organic pollutants. The combination of experimental methods and computational simulations will provide the foundation and guidance for exploring the degradation mechanism of organic pollutants.

Key words: degradation mechanism, organic pollutants, research method, spectral analysis techniques, quantum chemical calculation