|Alternative Title||Development and application of non-target screening method for the analysis of semi-volatile organic compounds in aqueous environment|
|Thesis Advisor||王子健 ; 王东红|
|Place of Conferral||北京|
|Keyword||半挥发性有机污染物,全二维气相色谱质谱,非目标分析,消毒副产物 Semi-volatile Organic Compounds, Comprehensive Two Dimensional Gas Chromatography-quadrupole Mass Spectrometry, Non-target Analysis, Disinfection By-products.|
The analysis of unknown organic pollutants in the environment has always been the focus of environmental chemists. In recent years, emerging organic contaminants (EOCs) have been detected in various environmental media, with both increasing numbers and classes. Due to the limitation of target analysis method, our understanding of environmental pollution by organic comtaminants is always hysteretic with the actual situation. Therefore, this thesis firstly established the instrumental method based on comprehensive two-dimensional gas chromatography (GC×GC-qMS) with emphasis on the non-target screening of semi-volatile compounds in aqueous environment, and incorporated retention index as a qualitative analysis tool during the data analysis procedure. This method is applied to the non-target analysis of semi-volatile organic compounds in surface water and the identification of the unknown disinfection by-products in drinking water during chlorination.
Firstly, this thesis applied the non target analysis method to the screening of unknown organic pollutants in surface water of major basins in China. A total of 239 organic compounds with high confidence were detected in 27 surface water samples, which could be categorized in six major group such as industrial materials, pharmaceutical and personal care products and pesticides according to their application. 149 of them were confirmed with standard products, and the results showed that the accuracy of qualitative analysis was 100%. We selected 107 potential toxic compounds were selected for quantitative analysis, and on the basis of risk quotient, the ecological risk of the quantified compounds were evaluated. The results showed that 30 compounds posed potential ecological risk, which deserved further attention.
Furthermore, the transformation and product identification of PAHs during chlorination disinfection were studied by using this method. The results show that amongst eight ubiquitous PAHs in raw water, acenaphthene, acenaphthylene, anthracene and pyrene manifested strong reactivity, and are more likely to be precursor of disinfection by-products of PAHs during drinking water chlorination process. The main products of acenaphthylene and anthracene are oxygenated PAHs, the main product of acenaphthene and pyrene are chlorinated PAHs. The difference product types suggested different reaction mechanism: acenaphthylene and anthracene undergoes single electron transfer mechanism, and acenaphthene and pyrene undergoes electrophilic substitution reaction. Based on the qualitative results of GC×GC-qMS and Fukui function, we successfully elucidated the chlorination pathway of acenaphthene and pyrene, several products were confirmed by synthetic reference materials. A total of 28 transformation products were identified for acenaphthylene, acenaphthene, anthracene and pyrene, of which 19 were reported for the first time.
This manuscript developed a non-target analysis method based on GC×GC-qMS, which was successfully applied to the non-target analysis of semi-volatile organic contaminates in surface water and the identification of the transformation byproducts of PAHs during aqueous chlorination. The methodology developed in this study provides a new solution for the non-target analysis of environmental contaminants and the identification of disinfection byproducts.
|徐雄. 水体中半挥发性有机污染物的非目标筛查方法及应用[D]. 北京. 中国科学院生态环境研究中心,2018.|
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