Molecular Characterization of Ketones in a Petroleum Source Rock

Wang, Ping; Zhang, Yahe; Chen, Xu; Zhang, Weilai; Zhu, Guangyou; Li, Zongyue; Zhang, Liang; Shi, Quan

doi:10.1021/acs.energyfuels.8b01731

Cited by 6 publications

(4 citation statements)

References 44 publications

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“…Wang et al 186 investigated ketones in a source rock by the derivatization with the Girard T reagent and found that the chemical derivatization followed by (+) ESI MS analysis is suitable for the analysis of ketones, but it has discrimination on high DBE species (DBE ≥ 9). Direct analysis with (+) APPI MS showed comparable ionization efficiency throughout the DBE range and could distinguish aliphatic ketones from aromatic ketones according to different ionization pathways.…”

Section: Approaches and Applications Formentioning

confidence: 99%

Molecular Characterization of Fossil and Alternative Fuels Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Recent Advances and Perspectives

et al. 2021

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Molecular composition analysis of petroleum and alternative fuels has been considered as one of the greatest challenges in analytical chemistry. The rapid development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has provided an opportunity to solve this problem. High mass resolution power and mass accuracy enable the separation of isobaric compounds in a complex mixture and assignment of their molecular composition. The combination of electrospray ionization (ESI) with FT-ICR MS achieves direct analysis of polar compounds in petroleum even if they are in trace amounts in the complex matrix. FT-ICR MS has made a great contribution to the chemical understanding of petroleum and alternative fuels; the relevant application is sometimes called “petroleomic analysis”. Hundreds of journal articles have been published over the past two decades using FT-ICR MS instruments to study the molecular composition of petroleum and alternative fuels, in which most of them used ESI as the ionization source. This review will present an overview of the studies regarding the petroleomic characterization of fossil and alternative fuels by FT-ICR MS coupled with ESI and a critical review of their main findings relevant to the chemical composition. Special features of this review are (1) covering the entire historical period; (2) focusing on ESI ionization; (3) a systematic review of the composition of almost all the components and compound classes, including but not limited to petroleum, coal-derived liquids, biofuels, and their distillates; asphaltenes, heavy residues, interfacial active substances; hydrocarbons and heteroatoms; and polar and nonpolar compounds. In addition, the challenges and further research directions will be proposed. This review focuses on the advances enabled by ultrahigh resolving power FT-ICR MS in a tribute to Professor Alan G. Marshall.

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Section: Approaches and Applications Formentioning

confidence: 99%

Molecular Characterization of Fossil and Alternative Fuels Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Recent Advances and Perspectives

et al. 2021

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“…Vanadium compounds; 296 Non-polar aromatic compounds; 297 thiols; [298][299][300] Sulfides; 301,302 N-, S-, and O-containing species; 129,198,205,207,212,214,221,224,236,244, Porphyrins; [348][349][350][351][352] Molecular structure of Asphaltenes; 185,216,353,354 naphthenic acids; 284,285,[355][356][357][358][359][360] petroleum sulfonates; [361][362][363][364] acidic compounds; 213,215,216,323,362,[365][366][367][368][369][370][371]…”

Section: Esi (Electrospray Ionization)mentioning

confidence: 99%

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

et al. 2021

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The current state-of-the-art in analysis techniques for petroleum fractions has progressed substantially during the last decade. This has helped to further improve the lumping procedures and modeling approaches of these complex systems. Recent advances in gas chromatography (GC), GC-field ionization mass spectrometry (GC-FIMS), and comprehensive gas chromatography (GC × GC) have made it possible to determine the compositions of fractions with up to 45 carbon atoms and in some cases up to C80. The combination of MS techniques with other selective detectors and reversed-phase column combinations has made it possible to quantify even traces of heteroatomic compounds in these complex hydrocarbon matrices. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), in some cases combined with GC × GC for the lighter part, has pushed the characterization of larger macromolecules in particular asphaltenes. Matrix-assisted laser desorption/ionization (MALDI) is also used widely for this purpose but has the disadvantage that quantification is not obvious. The development of more detailed characterization techniques has not remained unnoticed in the petrochemical society, and more recently in the petrochemical kinetic modeling society. More detailed characterization of petrochemical fractions has made the implementation of detailed kinetic models for simulation and optimization possible including more and more molecular detail. Additionally, advances in photo-ionization mass spectrometry (PI-MS) have allowed the detection of reactive intermediates and direct kinetic measurements in time-resolved experiments. It can only be expected that this trend will continue and that the application field will move from now primarily petrochemistry, (from catalytic cracking, over hydrotreating and hydrocracking, to pyrolysis, combustion, and steam cracking) to larger-scale chemical recycling and biomass conversion processes.

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“…Ketones in crude oil and coal tar were characterized by their molecular composition. Wang et al [29] further validate that the Girard-T derivatization followed by positive-ion ESI MS analysis is suitable for the analysis of ketones in a trace amount, but it has discrimination on high double-bond equivalent (DBE) species (DBE ≥ 9).…”

Section: Introductionmentioning

confidence: 98%

“…In recent years, a novel approach based on chemical derivatization followed by ESI high-resolution mass spectrometry has been used for the molecular characterization of ketones in fossil fuels [28][29][30]. The Girard-T reagent can be used to selectively create a positively charged quaternary ammonium moiety on carbonyls that can be accessed by ESI [31].…”

Section: Introductionmentioning

confidence: 99%

Ketones in Low-Temperature Oxidation Products of Crude Oil

et al. 2023

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Ketone compounds are oxidation products of crude oil in the in-situ combustion (ISC) process. Revealing the molecular composition of ketones can provide theoretical guidance for understanding the oxidation process of crude oil and valuable clues for studying the combustion state of crude oil in the reservoir. In this study, low-temperature oxidation (LTO) processes were simulated in thermal oxidation experiments to obtain thermally oxidized oil at different temperatures (170 °C, 220 °C, 270 °C, and 320 °C). A combination of chemical derivatization and positive-ion electrospray (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to analyze the molecular composition of different kinds of ketones (fatty ketones, naphthenic ketones, and aromatic ketones) in the oxidized oils at different temperatures. The results showed that the concentration of aliphatic ketones and aliphatic cyclic ketones in the product oils decreased with the increase in temperature, while aromatic ketones increased with the increase in temperature. At the same oxidation temperature, the content of ketones follows this order: fatty ketones < cycloalkanes < aromatic ketones. The concentrations of ketones reached their maximum value at 170 °C and decreased at high temperatures due to over-oxidation. It was also found that nitrogen-containing compounds are more easily oxidized to ketone compounds than their hydrocarbon counterparts in the LTO process.

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Molecular Characterization of Ketones in a Petroleum Source Rock

Cited by 6 publications

References 44 publications

Molecular Characterization of Fossil and Alternative Fuels Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Recent Advances and Perspectives

Molecular Characterization of Fossil and Alternative Fuels Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Recent Advances and Perspectives

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

Ketones in Low-Temperature Oxidation Products of Crude Oil

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