基于FT-ICR MS的MTO废水电絮凝处理过程中分子转化机制解析

冯婉婷; 韦奇; 陈材; 白锦浩; 吕文杰; 汪华林

doi:10.13205/j.hjgc.202610002

基于FT-ICR MS的MTO废水电絮凝处理过程中分子转化机制解析

doi: 10.13205/j.hjgc.202610002

1. 华东理工大学机械与动力工程学院, 上海 200237;
2. 华东理工大学资源与环境工程学院, 上海 200237

基金项目:

国家自然科学基金优青项目“工业废水低碳处理及资源化”（52322003）

详细信息

作者简介:
冯婉婷（1997—），女，硕士研究生，主要研究方向为电絮凝处理工业废水。18037530613@163.com

通讯作者:
吕文杰（1985—），男，教授，主要研究方向为智能减污降碳装备、污水零排放工艺和工程。lvwj@ecust.edu.cn

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出版历程
- 收稿日期: 2025-09-03
- 网络出版日期: 2026-11-10

Analysis of molecular transformation mechanisms during electrocoagulation of MTO wastewater based on FT-ICR MS

1. College of Mechanical and Power Engineering, East China University of Technology, Shanghai 200237, China;
2. College of Resources and Environmental Engineering, East China University of Technology, Shanghai 200237, China

摘要

摘要: 研究耦合电絮凝（EC）与傅里叶变换离子回旋共振质谱（FT-ICR MS）结合，从宏观水质指标与分子结构层面，系统解析了甲醇制烯烃（MTO）废水的去除效能及有机物转化机制。在优化条件为电流2.5 A，电极间距2.0 cm，电导率2.3 mS/cm下，COD、含油量及浊度降低率分别达72.16%、68.24%和98.36%。FT-ICR MS分析表明，电絮凝显著去除了高碳数、高双键当量（DBE）的芳香族及缩合芳香类化合物，促使分子组成向低分子量、高O/C与H/C转化。范克雷维伦图（Van Krevelen，VK）与肯德里克（Kendrick）质量缺陷分析表明，氧化与去烷基化为主导反应路径，并伴随脱羧、脱氨和脱硫等过程，多路径协同效应显著提升了MTO废水可降解性。研究为煤化工废水深度净化提供了分子尺度理论基础，并验证了FT-ICR MS在复杂废水处理机理解析中的适用性与优势。
- 电絮凝 /
- FT-ICR MS /
- MTO废水 /
- 有机物降解 /
- 分子转化机制
Abstract: In this study， electrocoagulation （EC） was coupled with Fourier transform ion cyclotron resonance mass spectrometry （FT-ICR MS） to elucidate the removal efficiency and organic matter conversion mechanism of methanol-to-olefins （MTO） wastewater from two aspects： macroscopic water quality indicators and molecular structure evolution. Under the optimized conditions of current 2.5 A， electrode spacing 2.0 cm， and conductivity 2.3 mS/cm， the reduction rates of COD， oil content， and turbidity were 72.16%， 68.24%， and 98.36%， respectively. FT-ICR MS results showed that electrocoagulation significantly removed aromatic and condensed aromatic compounds with high carbon numbers and high double-bond equivalents， and shifted the molecular composition towards lower molecular weight， with increased O/C and H/C ratios. Van Krevelen （VK） and Kendrick mass defect analyses revealed that oxidation and dealkylation were the dominant reaction pathways， accompanied by decarboxylation， deamination， and desulfurization. The multi-pathway synergistic effects significantly enhanced the biodegradability of the MTO wastewater. This study provides a molecular-scale theoretical basis for the deep purification of coal chemical wastewater and verifies the applicability and advantages of FT-ICR MS in the analysis of complex wastewater treatment mechanisms.
- electrocoagulation /
- FT-ICR MS /
- MTO wastewater /
- organic matter degradation /
- molecular transformation mechanism

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