Extended characterization of petroleum aromatics using off-line LC-GC-MS

K. Huynh, Annette E. Jensen, Jonas Sundberg
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引用次数: 3

Abstract

Characterization of crude oil remains a challenge for analytical chemists. With the development of multi-dimensional chromatography and high-resolution mass spectrometry, an impressive number of compounds can be identified in a single sample. However, the large diversity in structure and abundance makes it difficult to obtain full compound coverage. Sample preparation methods such as solid-phase extraction and SARA-type separations are used to fractionate oil into compound classes. However, the molecular diversity within each fraction is still highly complex. Thus, in the routine analysis, only a small part of the chemical space is typically characterized. Obtaining a more detailed composition of crude oil is important for production, processing and environmental aspects. We have developed a high-resolution fractionation method for isolation and preconcentration of trace aromatics, including oxygenated and nitrogen-containing species. The method is based on semi-preparative liquid chromatography. This yields high selectivity and efficiency with separation based on aromaticity, ring size and connectivity. By the separation of the more abundant aromatics, i.e., monoaromatics and naphthalenes, trace species were isolated and enriched. This enabled the identification of features not detectable by routine methods. We demonstrate the applicability by fractionation and subsequent GC-MS analysis of 14 crude oils sourced from the North Sea. The number of tentatively identified compounds increased by approximately 60 to 150% compared to solid-phase extraction and GC × GC-MS. Furthermore, the method was used to successfully identify an extended set of heteroatom-containing aromatics (e.g., amines, ketones). The method is not intended to replace traditional sample preparation techniques or multi-dimensional chromatography but acts as a complementary tool. An in-depth comparison to routine characterization techniques is presented concerning advantages and disadvantages.
离线LC-GC-MS扩展表征石油芳烃
原油的表征对分析化学家来说仍然是一个挑战。随着多维色谱法和高分辨率质谱法的发展,可以在单个样品中鉴定出数量惊人的化合物。然而,由于其结构和丰度的巨大差异,很难获得完全的化合物覆盖。样品制备方法,如固相萃取和sara型分离被用来将油分馏成化合物类。然而,每个部分的分子多样性仍然非常复杂。因此,在常规分析中,只有一小部分化学空间具有典型特征。获得更详细的原油成分对生产、加工和环境方面都很重要。我们开发了一种高分辨率的分离方法,用于分离和预富集痕量芳烃,包括含氧和含氮物种。该方法基于半制备液相色谱法。基于芳香性、环大小和连通性的分离产生了高选择性和高效率。通过分离较丰富的芳烃,即单芳烃和萘,分离和富集了痕量物种。这使得识别常规方法无法检测到的特征成为可能。我们通过分馏和随后的GC-MS分析证明了来自北海的14种原油的适用性。与固相萃取和GC × GC- ms相比,初步鉴定的化合物数量增加了约60 ~ 150%。此外,该方法还成功地鉴定了一组含杂原子的芳烃(如胺、酮)。该方法不打算取代传统的样品制备技术或多维色谱,而是作为一种补充工具。对常规表征技术的优缺点进行了深入的比较。
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