关键词：
Chemical benchmarking
Flowback and Produced Waters
High-resolution mass spectrometry
Hydraulic fracturing
Matrix effects
Non-target screening
摘要：
Hydraulic fracturing (HF, a.k.a. fracking) is a method of unconventional oil and gas extraction that has allowed the United States to become a leader in natural gas production. However, HF operations generate large quantities of flowback and produced waters (FPW) that require proper disposal. FPWs are wastewaters that contain a complex mixture of chemical additives, salts, and other unknown chemicals. Many chemical additives are semi-polar to polar organic chemicals that can be transported in water resources and are potentially toxic to aquatic life or other organisms. To minimize the risks that chemical additives pose to the environment and human health, it is critical that researchers understand the chemical composition of FPWs and the persistence of chemical additives during the wastewater treatment process to prevent the release of harmful chemicals into the environment. Assessing the organic chemical composition of FPWs and the persistence of organic chemicals in wastewater treatment is complicated by many factors. For example, conventional methods of analysis are focused on the detection or assessment of a single chemical or a small class of chemicals, but over one thousand chemicals have been disclosed as HF additives and many others are undisclosed or unanticipated. FPWs are produced for years after HF operations are completed and it is unclear how the organic chemical composition changes over time. Furthermore, the high levels of salts in FPWs alter the detection and quantification of organic chemicals in FPWs. Screening methods capable of detecting and assessing the persistence of a wide range of chemicals are required to determine the composition of FPWs and identify proper methods of disposal. The overarching goals of this dissertation were to: (1) characterize the semi-polar to polar organic composition of FPWs and develop a method to quantify additives used in HF fluids; (2) characterize the temporal abundance trends of known and unknown constituents w
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