当前位置: 首页科学研究科研论文
Zexiu An, Dongchen Yang, Jinlin Zhang*, Maoxia He*, et al. Hydroxylation of some emerging disinfection byproducts (DBPs) in water environment: Halogenation induced strong pH-dependency. Journal of Hazardous Materials, 2023, https://doi.org/10.1016/j.jhazm
发布时间:2023/04/25 21:15:34   来源:www.ceocoach.net   

Abstract

In this work, the hydroxylation mechanisms and kinetics of some emerging disinfection byproducts (DBPs) have been systematically investigated through theoretical calculation methods. Five chlorophenols and eleven halogenated pyridinols were chosen as the model compounds to study their pH-dependent reaction laws in UV/H2O2 system. For the reactions of HO with 37 different dissociation forms, radical adduct formation (RAF) was the main reaction pathway, and the reactivity decreased with the increase of halogenation degree. The kapp values (at 298 K) increased with the increase of pH from 0 to 10, and decreased with the increase of pH from 10 to 14. Compared with phenol, the larger the chlorination degree in chlorophenols was, the stronger the pH sensitivity of the kapp values; compared with chlorophenols, the pH sensitivity in halogenated pyridinols was further enhanced. As the pH increased from 2 to 10.5, the degradation efficiency increased at first and then decreased. With the increase of halogenation degree, the degradation efficiency range increased, the pH sensitivity increased, the optimal degradation efficiency slightly increased, and the optimal degradation pH value decreased. The ecotoxicity and bioaccumulation of most hydroxylated products were lower than their parental compounds. These findings provided meaningful insights into the strong pH-dependent hydroxylation of emerging DBPs on molecular level.



Journal of Hazardous Materials, IF2021=14.224

https://www.sciencedirect.com/science/article/pii/S0304389423005150?via%3Dihub

关闭本页面
  • 上一篇:Dongchen Yang, Yanen Wang, Miaomiao Chen, Haiyan Liu, Jingqian Huo, and Jinlin Zhang*, Discovery of Bis-5-cyclopropylisoxazole-4-carboxamides as Novel Potential 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. Journal of Agricultural and Food Chemistry, 20
  •  
    电话(TEL):+86-312-7528160
    电话(TEL):+86-312-7528162
    邮编(Code Postal):071000
    地址(Add):中国·保定市莲池区乐凯南大街2596号老金沙9170登录入口西校区务实楼
    冀ICP备05024133号
    冀公网安备 13060602001052号
    老金沙9170登录入口
    欢迎关注微信公众号!

    Copyright ©   老金沙9170登录入口(认证平台)-ios/安卓/手机版app下载  版权所有