The Pixel-Based Chemometric Approach for Oil Spill Identification and Hydrocarbon Source Differentiation

Poulsen, Kristoffer G.; Kristensen, Mette; Tomasi, Giorgio; Cruz, Majbrit Dela; Christensen, Jan H.

doi:10.1016/b978-0-12-804434-6.00021-5

Cited by 3 publications

(1 citation statement)

References 26 publications

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“…17 Therefore, these are useful targets for oil-oil and oil-source correlation and spill identification and environmental monitoring. 18,19 Comprehensive identification of the aromatics is challenging due to the large concentration variance. Traditionally, petroleum analysis is based on pre-fractionation using silica chromatography or solid-phase extraction (SPE) cartridges followed by GC-MS n .…”

Section: Introductionmentioning

confidence: 99%

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

Huynh

Jensen

Sundberg

2021

Preprint

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Crude oil remains a grand challenge for analytical chemists. With the advent of multidimensional chromatography and high-resolution mass spectrometry, an impressive number of compounds have been identified. However, the large diversity in structure and abundance makes it difficult to obtain full compound coverage in a single analysis. Sample preparation methods such as solid-phase extraction and SARA-type analysis reduces this complexity. 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 nitrogencontaining species. By the isolation of the more abundant aromatics, i.e. monoaromatics and naphthalenes, trace species can be enriched for analysis. This enables 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 solidphase extraction and GC×GC-MS. Furthermore, the method was used to successfully isolate and identify a new set of heteroatom-containing aromatics (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.

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Section: Introductionmentioning

confidence: 99%

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

Huynh

Jensen

Sundberg

2021

Preprint

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Addressing new chemicals of emerging concern (CECs) in an indoor office

Song,

Yang,

Wang

et al. 2023

Environment International

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

Huynh

Jensen

Sundberg

2021

PeerJ Analytical Chemistry

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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.

show abstract

The Pixel-Based Chemometric Approach for Oil Spill Identification and Hydrocarbon Source Differentiation

Cited by 3 publications

References 26 publications

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

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

Addressing new chemicals of emerging concern (CECs) in an indoor office

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

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