3 Advances in Fourier transform mass spectrometry forensic tools for naphthenic acid fraction compounds in oil sand environmental samples and crude oil
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Ian J. Vander Meulen
Abstract
During the past decade, there has been sustained interest in papers published on naphthenic acids (NAs) and the broader class of naphthenic acid-fraction compounds (NAFCs) as part of environmental and petroleomic studies. This increase attention in part reflects that NAs and related NAFCs are principal toxicants in oil sands process-affected water (OSPW). Furthermore, NAFCs are of industrial concern because they cause infrastructure scaling and corrosion during petroleum transport and processing. Many analytical strategies have therefore been developed for the detection and characterization of NAFCs, but Fourier transform mass spectrometry (FTMS)-based methods provide powerful molecular-level insights into these complex mixtures. This review focuses on the exceptional utility of ultrahigh resolving power FTMS applications to environmental forensics of NAFCs and crude oils. Highlighted are applications of Fourier transform ion cyclotron resonance mass spectrometry and Orbitrap mass spectrometry as ultrahigh resolution methods for (a) molecular-level measurement of environmental occurrence and fate of NAFCs across the Athabasca oil sands region, Canada; (b) improvement of understanding of molecular mechanisms of NAFC-related toxicity in aquatic environments; (c) assessment of treatment outcomes for OSPW; along with (d) compelling data visualizations of organic components in crude oils. Advances in instrumental technology and data processing continue to improve resolution and sensitivity across the mass range. The processing of data generated by these methods can be challenging, but offers unparalleled levels of insight into NAFC composition. Future studies are encouraged to further combine traditional petroleomic data visualization techniques with multivariate ordination methods. Such applications would be particularly useful for matching molecular characteristics with physical properties and with processes, such as toxicity, corrosion, as well as the environmental behaviour and fate of these compounds.
Abstract
During the past decade, there has been sustained interest in papers published on naphthenic acids (NAs) and the broader class of naphthenic acid-fraction compounds (NAFCs) as part of environmental and petroleomic studies. This increase attention in part reflects that NAs and related NAFCs are principal toxicants in oil sands process-affected water (OSPW). Furthermore, NAFCs are of industrial concern because they cause infrastructure scaling and corrosion during petroleum transport and processing. Many analytical strategies have therefore been developed for the detection and characterization of NAFCs, but Fourier transform mass spectrometry (FTMS)-based methods provide powerful molecular-level insights into these complex mixtures. This review focuses on the exceptional utility of ultrahigh resolving power FTMS applications to environmental forensics of NAFCs and crude oils. Highlighted are applications of Fourier transform ion cyclotron resonance mass spectrometry and Orbitrap mass spectrometry as ultrahigh resolution methods for (a) molecular-level measurement of environmental occurrence and fate of NAFCs across the Athabasca oil sands region, Canada; (b) improvement of understanding of molecular mechanisms of NAFC-related toxicity in aquatic environments; (c) assessment of treatment outcomes for OSPW; along with (d) compelling data visualizations of organic components in crude oils. Advances in instrumental technology and data processing continue to improve resolution and sensitivity across the mass range. The processing of data generated by these methods can be challenging, but offers unparalleled levels of insight into NAFC composition. Future studies are encouraged to further combine traditional petroleomic data visualization techniques with multivariate ordination methods. Such applications would be particularly useful for matching molecular characteristics with physical properties and with processes, such as toxicity, corrosion, as well as the environmental behaviour and fate of these compounds.
Chapters in this book
- Frontmatter I
- About the Editor V
- Preface VII
- Contents IX
- 1 Introduction to oil chemistry 1
- 2 Chemical fingerprints and chromatographic analysis of crude oils and petroleum products 47
- 3 Advances in Fourier transform mass spectrometry forensic tools for naphthenic acid fraction compounds in oil sand environmental samples and crude oil 127
- 4 Heavy oil resin composition and their influence on asphaltene stability 177
- 5 Asphaltenes: structures and applications 203
- 6 Asphaltene equation of state and oilfield reservoirs 307
- 7 Molecular distributions and geochemical implications of pyrrolic nitrogen compounds in crude oils 361
- 8 Analysis of petroleum-related samples by soft ionization/high-resolution mass spectrometry 383
- 9 Non-combustion applications of petroleum chemistry 423
- 10 Biomarkers in crude oils 449
- 11 Photooxidation of crude oil: formation, characterization, and fate of oil photoproducts in the environment 519
- 12 Molecular structure characterization of crude oil and its products by mass spectrometry 547
- 13 The distillation precipitation fractionation mass spectrometry (DPF-MS) method for molecular profiling of crude oil 619
- 14 Hyphenated gas chromatography and mass spectrometry techniques for the analysis of crude oil and petroleum products 643
- List of contributing authors 679
- Index 683
Chapters in this book
- Frontmatter I
- About the Editor V
- Preface VII
- Contents IX
- 1 Introduction to oil chemistry 1
- 2 Chemical fingerprints and chromatographic analysis of crude oils and petroleum products 47
- 3 Advances in Fourier transform mass spectrometry forensic tools for naphthenic acid fraction compounds in oil sand environmental samples and crude oil 127
- 4 Heavy oil resin composition and their influence on asphaltene stability 177
- 5 Asphaltenes: structures and applications 203
- 6 Asphaltene equation of state and oilfield reservoirs 307
- 7 Molecular distributions and geochemical implications of pyrrolic nitrogen compounds in crude oils 361
- 8 Analysis of petroleum-related samples by soft ionization/high-resolution mass spectrometry 383
- 9 Non-combustion applications of petroleum chemistry 423
- 10 Biomarkers in crude oils 449
- 11 Photooxidation of crude oil: formation, characterization, and fate of oil photoproducts in the environment 519
- 12 Molecular structure characterization of crude oil and its products by mass spectrometry 547
- 13 The distillation precipitation fractionation mass spectrometry (DPF-MS) method for molecular profiling of crude oil 619
- 14 Hyphenated gas chromatography and mass spectrometry techniques for the analysis of crude oil and petroleum products 643
- List of contributing authors 679
- Index 683
