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醌活化过硫酸盐对单环芳烃的氧化效率及定量构效关系

Efficiency and Quantitative Structure-Activity Relationship of Monoaromatics Oxidation by Quinone-Activated Persulfate.

作者信息

Shi Jiaqi, Long Tao, Zhou Yuxuan, Wang Lei, Jiang Cuiping, Pan Dongguo, Zhu Xin

机构信息

State Environmental Protection Key Laboratory of Soil Environmental Management and Pollution Control, Nanjing Institute of Environmental Sciences, Ministry of Ecology and Environment, Nanjing, China.

College of Environment, Hohai University, Nanjing, China.

出版信息

Front Chem. 2021 Sep 1;9:580643. doi: 10.3389/fchem.2021.580643. eCollection 2021.

DOI:10.3389/fchem.2021.580643
PMID:34540795
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8440822/
Abstract

Quinones and quinone-containing organics have potential of activating persulfate to produce sulfate radical. In this work, the optimal condition for quinone activation of persulfate was investigated. It was found representative monoaromatics were degraded fastest in alkaline environment (pH 10.0), but excessive alkalinity restrained the reaction instead. The mechanisms to explain this phenomenon were speculated. The effect of initial quinone concentration on persulfate oxidation was also investigated at pH 10.0. In addition, a quantitative structure-activity relationship model was established with 15 kinds of monoaromatics, which revealed the most negative atomic net charges on carbon atom played an important role on degradation rates. Chemicals with a smaller were easier oxidized in quinone-activate system. This finding helps further exploration of effective activator in alkaline environment.

摘要

醌类及含醌有机物具有活化过硫酸盐产生硫酸根自由基的潜力。在本研究中,对醌活化过硫酸盐的最佳条件进行了探究。研究发现,代表性单环芳烃在碱性环境(pH 10.0)中降解最快,但碱度过高反而会抑制反应。推测了解释该现象的机制。在pH 10.0条件下,还研究了初始醌浓度对过硫酸盐氧化的影响。此外,建立了包含15种单环芳烃的定量构效关系模型,该模型表明碳原子上最负的原子净电荷对降解速率起着重要作用。在醌活化体系中,具有较小[此处原文缺失相关内容]的化学物质更容易被氧化。这一发现有助于进一步探索碱性环境中的有效活化剂。

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