Degradation of ibuprofen, triclosan, diclofenac, and ketoprofen in real wastewater effluent by gamma radiation/hydrogen peroxide was investigated on the basis of removal efficiencies, G-values, and kinetics. Gamma irradiation was performed using a60Co source irradiator in the presence of different concentrations of hydrogen peroxide. The analyses of the pollutants were performed before and after irradiation treatment using a Liquid Chromatography-Mass Spectrometry (LC-MS) system. The addition of 0.5% hydrogen peroxide resulted in an enhanced removal efficiency of the target pollutants (93.92% for ibuprofen, 99.47% for triclosan, 86.65% for diclofenac, and 86.32% for ketoprofen) compared with the performance of the gamma irradiation process alone. The rate constants (k) of ibuprofen, triclosan, diclofenac, and ketoprofen increased by 1.42, 2.38, 1.38, and 3.37 times with 0.5% hydrogen peroxide addition, respectively. Moreover, the 90% decomposition of the target pollutants was achieved at lower doses in the gamma-ray/hydrogen peroxide system in comparison with the gamma treatment without hydrogen peroxide. Fukui functions and dual descriptor were calculated using density functional theory (DFT) to investigate the sensitivity of the target pollutants to hydroxyl radical attacks, to identify the initial reaction pathway, and to predict the degradation by-products. The findings were consistent with literature mechanisms and observed by-products.

中文翻译：

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伽马辐射和过氧化氢处理选定污染物的实验和理论评估


根据去除效率、G 值和动力学研究布洛芬、三氯生、双氯芬酸和酮洛芬在实际废水中被 γ 辐射/过氧化氢降解的情况。在不同浓度的过氧化氢存在下使用 a60Co 源辐照器进行伽马辐照。使用液相色谱-质谱 （LC-MS） 系统在辐照处理前后对污染物进行分析。与单独的伽马辐照过程相比，添加 0.5% 过氧化氢提高了目标污染物的去除效率（布洛芬为 93.92%，三氯生为 99.47%，双氯芬酸为 86.65%，酮洛芬为 86.32%）。添加 0.5% 过氧化氢时，布洛芬、三氯生、双氯芬酸和酮洛芬的速率常数 （k） 分别增加了 1.42 倍、 2.38 倍、 1.38 和 3.37 倍。此外，与不含过氧化氢的伽马处理相比，在伽马射线/过氧化氢系统中，在较低剂量下实现了 90% 的目标污染物分解。使用密度泛函理论 （DFT） 计算 Fukui 函数和对偶描述符，以研究目标污染物对羟基自由基攻击的敏感性，确定初始反应途径，并预测降解副产物。研究结果与文献机制和观察到的副产品一致。