School of Civil Engineering, Southeast University, Nanjing 210096, China; Key Laboratory of Concrete and Prestressed Concrete Structures of the Ministry of Education, Southeast University, Nanjing 210096, China.
School of Civil Engineering, Southeast University, Nanjing 210096, China.
Sci Total Environ. 2020 Sep 1;733:139250. doi: 10.1016/j.scitotenv.2020.139250. Epub 2020 May 6.
Peroxymonosulfate (PMS) was employed as an activator of ozone (O) to degrade non-steroidal anti-inflammatory drugs (NSAIDs) (aspirin (ASA) and phenacetin (PNT)) in study. The combination of PMS in O system promoted the O decomposition and NSAIDs removal significantly. O molecule, hydroxyl radical (OH) and sulfate radical (SO) were responsible for the removal of target pollutants in O/PMS system. The second-rate constants between O, OH and SO with ASA were determined to be 7.32, 4.18 × 10 and 3.46 × 10 M·s, and 37.3, 4.99 × 10 and 5.64 × 10 M·s for PNT, respectively. The pattern of pollutant removal and contributions of oxidative species were fitted by experiments and two models. Nevertheless, the wide variety of two models suggested that a comprehensive model for O/PMS based on a first-principles approach was not yet possible, due to the number of radicals and subsequent chain reaction, such as SO or O. In addition, the formation of five typical CXR -type disinfection by products was evaluated from post‑chlorine tests and theoretically calculation by frontier electron density calculation. The calculated toxicity of typical CXR -type DBPs was found to decrease with the increase of pH. The results of this study provide a basis for exploring the mechanism of pollutant degradation in O system.
过一硫酸盐（PMS）被用作臭氧（O）的激活剂，以降解非甾体抗炎药（NSAIDs）（阿司匹林（ASA）和非那西汀（PNT））。O 系统中的 PMS 组合显著促进了 O 的分解和 NSAIDs 的去除。O 分子、羟基自由基（OH）和硫酸根自由基（SO）负责去除 O/PMS 系统中的目标污染物。O、OH 和 SO 与 ASA 的二级速率常数分别为 7.32、4.18×10 和 3.46×10 M·s，与 PNT 分别为 37.3、4.99×10 和 5.64×10 M·s。通过实验和两个模型拟合了污染物去除和氧化物种的贡献模式。然而，两个模型的广泛差异表明，由于自由基的数量和随后的链式反应，如 SO 或 O，基于第一性原理的 O/PMS 综合模型还不可能。此外，通过后氯测试和前沿电子密度计算理论计算评估了五种典型 CXR 型消毒副产物的形成。发现典型 CXR 型 DBPs 的计算毒性随 pH 值的增加而降低。本研究的结果为探索 O 系统中污染物降解的机制提供了依据。
