傅里叶变换离子回旋共振质谱对冶金过程产生的多种芳烃污染物的筛查解析

金属冶炼是我国芳烃类有机污染物排放的重要源，烟气和飞灰是冶金过程芳烃污染物排放的重要介质，尽管目前已有一些关于冶金行业烟气和飞灰中特定持久性有机污染物浓度及特征的研究报道，但对其它可能存在的有毒有害芳烃类污染物的全谱筛查和分子识别研究尚未开展。本项目选择典型冶金厂采集烟道气和飞灰样品，利用分辨率高达15T的傅里叶变换离子回旋共振质谱（FT-ICR MS），建立FT-ICR MS解析冶金过程产生的烟气和飞灰中芳烃类有机污染物的方法学，结合二级质谱碎裂等仪器分析手段和KMD质量亏损等统计学手段，全谱解析冶金过程中产生的芳烃类有机污染物，提出不同冶金过程特征芳烃类有机污染物的指纹谱图，以期为冶金工业源周边环境中的芳烃类有机污染物来源解析提供依据。解析多种芳烃类有机污染物间的相关性，筛选出特征芳烃污染物，并结合QSAR等模型，提出具有潜在风险的新型芳烃有机污染物。

Although the occurrence and pattern of specific persistent organic pollutants in stack gas and fly ash samples from metallurgical processes have been focused, a full recognition and monitoring of other aromatic pollutants of potential toxicity have not been achieved up to now. Therefore, in this project, full spectrum analysis of aromatic pollutants in stack gas and fly ashes produced from metallurgical processes will be achieved through the establishment of Fourier transform-ion cyclotron resonance-mass spectrometry (FT-ICR MS) methodology with combination of instrumental and statistical analysis such as secondary mass spectrometry fracture and Kendrick Mass Defect Map. The specific fingerprint of aromatic pollutants from different types of metallurgical plants will be put forward, which would provide important information for the source apportionment of organic pollutants in the environment surrounding the metallurgical plants. Correlation of varieties of aromatic pollutants will also be studied to screen out some specific aromatic pollutants unintentionally produced during the smelting processes, and on this basis, new organic pollutants of potential toxicity and environmental and health risks will be recognized and proposed by the method combination of FT-ICR MS and theoretical models such as QSAR.