零价铁/合降解化消毒副产品和定量结构-活动关系建模
Yan Liu1, Jianfa Gao1, Qingyao Zhu1
1College of Chemistry and Environmental Engineering, Shenzhen University, Shenzhen 518060, China.
Environmental science & technology
|July 18, 2023
概括
零价铁和铜 (ZVI/Cu) 有效地降解饮用水中新出现的芳香消毒副产品 (DBPs). 预测模型和毒性分析为DBP命运和控制策略提供了洞察力.
科学领域:
- 环境化学环境化学
- 水处理技术水处理技术
- 毒理学 毒理学 毒理学
背景情况:
- 消毒副产品 (DBP) 是饮用水中的污染物.
- 零价铁 (ZVI) 有效地去除由铜 (Cu) 增强的异形DBPs.
- 了解各种DBP的ZVI/Cu降解对于具有铁/铜管道的水系统至关重要.
研究的目的:
- 研究新兴芳香DBPs的ZVI/Cu降解.
- 开发一个定量结构-活动关系 (QSAR) 模型来预测DBP降解率.
- 评估DBP及其降解产物的毒性.
主要方法:
- 化和胺饮用水的ZVI/Cu处理.
- 使用降解速率常数开发和验证一个QSAR模型.
- 使用已建立的模型预测DBP毒性.
主要成果:
- ZVI/Cu有效降解了芳香DBPs,降低了总有机素和离子强度.
- 一个经过验证的QSAR模型根据分子轨道能量和二极子时刻预测了降解速率.
- 大多数DBP的毒性高于脱产品,但有些毒性低于低类产品.
结论:
- ZVI/Cu是一种有前途的技术,用于去除各种DBPs,包括新兴的芳香类型.
- 开发的QSAR模型有助于预测和选DBPs以提高删除效率.
- DBP的毒性各不相同,而脱产品通常毒性较小.
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