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Orbitrap ESI-MS evaluation of solvent extractable organics from a crude oil release site
Journal of Contaminant Hydrology ( IF 3.6 ) Pub Date : 2021-07-07 , DOI: 10.1016/j.jconhyd.2021.103855
Kirk T O'Reilly 1 , Natasha Sihota 2 , Rachel E Mohler 2 , Dawn A Zemo 3 , Sungwoo Ahn 1 , Renae I Magaw 2 , Catalina Espino Devine 2
Affiliation  

The concentrations of oxygen-containing organic compounds (OCOC), measured as dissolved organic carbon (DOC), in groundwater exceeds those of dissolved hydrocarbons, measured as total petroleum hydrocarbons (TPH), at a crude oil release site. Orbitrap mass spectrometry was used to characterize OCOC in samples of the oil, water from upgradient of the release, source area, and downgradient wells, and a local lake. Chemical characterization factors included carbon number, oxygen number, formulae similarity, double bond equivalents (DBE) and radiocarbon dating. Oil samples were dominated by formulae with less than 30 carbons, four or fewer oxygens, and a DBE of less than four. In water samples, formulae were identified with more than 30 carbons, more than 10 oxygens, and a DBE exceeding 30. These characteristics are consistent with DOC found in unimpacted water. Between 65% and 92% of the formulae found in samples collected within the elevated OCOC plume were also found in the upgradient or surface water samples. Evidence suggests that many of the OCOC are not petroleum degradation intermediates, but microbial products generated as a result of de novo synthesis by organisms growing on carbon supplied by the oil. Implications of these results for understanding the fate and managing the risk of hydrocarbons in the subsurface are discussed.



中文翻译:

Orbitrap ESI-MS 评估来自原油释放地点的溶剂可萃取有机物

在原油释放点,地下水中含氧有机化合物 (OCOC) 的浓度,以溶解有机碳 (DOC) 的形式测量,超过了溶解碳氢化合物的浓度,以总石油烃 (TPH) 的形式测量。Orbitrap 质谱法用于表征油样、释放上升流水、源区和下降井以及当地湖泊中的 OCOC。化学表征因素包括碳数、氧数、分子式相似性、双键当量 (DBE) 和放射性碳测年。油样主要由少于 30 个碳、四个或更少氧以及 DBE 小于 4 的配方组成。在水样中,确定了含有 30 多个碳、10 多个氧和超过 30 的 DBE 的配方。这些特征与未受影响的水中发现的 DOC 一致。在升高的 OCOC 羽流中收集的样品中发现的 65% 至 92% 的配方也在上升水或地表水样品中发现。有证据表明,许多 OCOC 不是石油降解中间体,而是由于由生长在石油提供的碳上的生物体从头合成。讨论了这些结果对理解地下碳氢化合物的归宿和管理风险的意义。

更新日期:2021-07-12
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