基于网络的方法,通过分子签名解读复杂的液DOM与OH/O3的氧化性
Hui Wang1,2, Lan Wang3, Thomas William Seviour2
1School of Environmental Science and Engineering, Shanghai Engineering Research Center of Solid Waste Treatment and Resource Recovery, Shanghai Jiao Tong University, Shanghai 200240, China.
Environmental science & technology
|January 9, 2025
概括
这项研究揭示了垃圾填埋场液中溶解有机物 (DOM) 的分子构成以及它如何对氧化反应. 机器学习确定了分子重量作为DOM的关键.
科学领域:
- 环境化学环境化学
- 水处理技术水处理技术
- 分析化学 分析化学
背景情况:
- 垃圾填埋场的液含有复杂的溶解有机物 (DOM),其成分与氧化能力之间的联系不清楚.
- 了解DOM的分子结构对于有效处理缩漏液至关重要.
研究的目的:
- 在缩的垃圾填埋污水中,以基 (•OH) 和臭氧 (O3) 氧化DOM的分子特征进行分辨.
- 阐明单个DOM组成部分的固有氧化性和抗性.
- 开发一个整合分子签名和机器学习的框架,用于分析DOM反应性.
主要方法:
- 利用里叶变换离子环子子共振质谱法 (FT-ICR MS) 来识别DOM分子签名.
- 应用了修改后的机器学习框架来建模DOM在臭氧化过程中的逐渐碎片化路径.
- 使用SHAP值分析了影响DOM抗氧化能力的结构因素.
主要成果:
- 湿性物质 (湿性酸,酸) 主要存在于浸出物DOM (35.9-51.7% TOC).
- 富含碳素的环分子 (CRAM) 和类似于素的物质是最丰富的成分 (40.2-54.5%).
- 分子重量是决定DOM抵抗OH和O3降解的主要因素,其次是 (DBE-O) /C,S/C和H/C比率.
结论:
- 开发了一种结合分子特征和机器学习的新框架,以理解复杂矩阵中的DOM反应性.
- 鉴定了在OH和O3攻击下CRAMs-DOM的特定氧化途径,导致降解.
- 调查结果为制定集中垃圾填埋场泄漏物的有针对性的管理策略提供了洞察力.
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