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pH对UV/H₂O₂的作用:单,混合和基类帕拉本从水中通过中介去除

Yanru Huo¹, Mingxue Li¹, Zexiu An²

¹Environment Research Institute, Shandong University, Qingdao 266237, PR China.

Journal of hazardous materials

|October 25, 2023

概括

调整pH值优化了使用紫外线/过氧化 (H2O2) 清除类甲和类甲的过程. 脱物种的降解速度更快,中性和性条件有利于有效地从废水中去除这些污染物.

科学领域:

环境化学环境化学
水处理技术水处理技术
计算化学计算化学

背景情况:

类化合物和类化合物是废水中常见的污染物.
它们的去除效率受到环境因素的显著影响,例如pH值.
了解降解机制对于有效的水处理至关重要.

研究的目的:

研究帕拉和-帕拉的pH取决的去除机制和动力学.
为了比较在UV/H2O2过程中中性和脱质物种的反应性.
为了确定废水中烯降解的最佳条件.

主要方法:

使用密度函数理论 (DFT) 的计算.
模拟了20种中性和去质子化烯物种的动力学和反应途径.
速率常数在pH 7.0下计算,以对实验数据进行验证.

主要成果:

脱物种对基基 (HO•) 的反应性高于中性物种.
原子抽象 (HAA) 在中性物种降解中占主导地位,而激进添加物形成 (RAF) 则是脱质物种的关键.
计算的速率常数 (1.63 × 10^9 到 3.74 × 10^10 M−1s−1) 证实了实验发现.
在中性到弱性条件下发生最佳降解.
清除效率的顺序:二甲 > 单甲 ≈ F,F-MeP > MeP.

结论:

调整pH值对于通过UV/H2O2.2增强对和-的去除至关重要.
这项研究揭示了中性和脱质类的明显降解途径.
结果支持在特定的pH条件下使用UV/H2O2进行有效的废水处理,并指出转化产品的毒性.

关键词:

消毒副产品 (DBP) 是指消毒的副产品.在PH上依赖于PH.帕拉本类药物可以理论计算的理论计算.紫外线/{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}{2O}

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