在Fe (II) /O (O) /三聚酸盐系统中产生反应性氧物种和污染物降解的pH依赖性
Chengwu Zhang1, Anqi Yang1, Bing Qin2
1Key Laboratory of Groundwater Resources and Environment, Ministry of Education, Jilin University, Changchun 130021, China; Jilin Provincial Key Laboratory of Water Resources and Environment, Jilin University, Changchun 130021, China; National and Local Joint Engineering Laboratory for Petrochemical Contaminated Site Control and Remediation Technology, Jilin University, Changchun 130021, China.
铁二氧化2/三聚酸盐 (TPP) 系统通过活性氧物种 (ROS) 去除污染物. 溶液的pH控制ROS生成和污染物降解路径,使得有针对性的氧化或还原性去除.
科学领域:
- 环境化学环境化学
- 先进的氧化过程 先进的氧化过程
背景情况:
- 三聚酸盐 (TPP) 增强了Fe (II) /O2系统的污染物去除.
- 在Fe (II) /O2/TPP系统中,pH对活性氧物种 (ROS) 生产和污染物降解的影响需要进一步研究.
研究的目的:
- 研究pH对Fe (II) /O2/TPP系统中ROS生成和p-尼托醇 (PNP) 降解的影响.
- 确定涉及的主要ROS及其形成率.
- 阐明了依赖pH值的降解机制.
主要方法:
- 实验研究与密度函数理论 (DFT) 计算相结合.
- 稳定状态建模用于计算ROS形成率.
- 在不同的pH条件下分析PNP降解途径.
主要成果:
- 超氧化基 (O2•−) 和基 (•OH) 被确定为不同pH值的主要ROS.
- 在pH值为3时,主导[Fe (II) (HTPP) ]2−,促进OH生成和PNP的氧化降解.
- 在pH值为5/7时, [Fe (II) (TPP) ]4−占主导地位,导致O2•−的积累和PNP的降解性降解.
结论:
- 溶液的pH值显著调节Fe (II) /O2/TPP系统中的ROS动态和污染物降解途径.
- 铁 (II) /O2/TPP提供了一种可调节的方法,通过调整pH来进行有针对性的氧化或还原性去除污染物.
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