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Electroactivation of peroxymonosulfate (PMS)-coupled electrocoagulation for degradation of iodinated contrast media and reduction of I-DBPs formation: Dual control and QSAR modeling
Journal of Hazardous Materials ( IF 12.2 ) Pub Date : 2024-12-04 , DOI: 10.1016/j.jhazmat.2024.136771
Shuai Fang, Zhaoyang Wang, Wenyi Hu, Jin Bian, Xin Li

Iodinated contrast medias (ICMs) can act as an iodine source to react with dissolved organic matter (DOM) in the chlorination process to form toxic iodinated disinfection byproducts (I-DBPs). In this study, a coupled process of electrically activated PMS and electrocoagulation (EO-PMS/EC) was constructed to simultaneously remove iopamidol (IPM) and DOM, which has a dual control effect on the formation of I-DBPs. This system achieved a 90.1 % degradation rate of IPM, as well as remarkable removal of DOM. Firstly, the effects of experimental conditions and water matrix on IPM degradation were investigated; 1O2, HO·, SO4·-, O2·- and Fe (IV) are the main contributors to IPM degradation. Moreover, the transformation pathways of IPM were inferred and most of the intermediates were less toxic compared to I-DBPs. The formation of I-DBPs was reduced by 82.7 % and was effectively inhibited in all three real water samples. Furthermore, the developed QSAR model illustrate that the degradation rate constants of ICMs are positively correlated with the values of their highest occupied molecular orbital energies and dipole moments. This study provided a more effective I-DBPs reduction strategy which reduced the environmental risk of I-DBPs to a certain extent.

中文翻译:


过一硫酸盐 (PMS) 偶联电凝的电活化用于降解碘造影剂和减少 I-DBPs 形成:双重对照和 QSAR 建模



碘化造影剂 (ICM) 可以作为碘源,在氯化过程中与溶解的有机物 (DOM) 反应,形成有毒的碘化消毒副产物 (I-DBP)。本研究构建了电激活 PMS 和电凝血 (EO-PMS/EC) 的耦合过程,同时去除碘帕醇 (IPM) 和 DOM,这对 I-DBPs 的形成具有双重控制作用。该系统实现了 90.1% 的 IPM 降解率,以及显着的 DOM 去除率。首先,研究了实验条件和水基质对 IPM 降解的影响;1O2、HO、SO4·-、O2·- 和 Fe (IV) 是 IPM 降解的主要贡献者。此外,推断了 IPM 的转化途径,与 I-DBPs 相比,大多数中间体的毒性较小。I-DBPs 的形成减少了 82.7%,并且在所有三个真实水样中都得到了有效抑制。此外,开发的 QSAR 模型表明,ICMs 的降解速率常数与其最高占据的分子轨道能量和偶极矩的值呈正相关。本研究提供了一种更有效的 I-DBPs 减少策略,在一定程度上降低了 I-DBPs 的环境风险。
更新日期:2024-12-04
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