Influence of Heating Rate on Basic Nitrogen-Containing Species Content in Dachengzi Shale Oil Studied by Positive-Ion Electrospray Ionization Ft-Icr Mass Spectrometry

Tong, Jinlu; Liu, Jiaxun; Han, Xiangxin; Shi, Quan; Jiang, Xiumin

doi:10.3176/oil.2013.1.07

Cited by 9 publications

(3 citation statements)

References 33 publications

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“…Because Green River pyrolysates typically contain a higher nitrogen concentration, it is reasonable to observe significantly more relatively abundant N 1 and N 1 O 1 class compounds in APM-FA (panels a and b of Figure ). ,,,, It is also possible that HC class compounds were underestimated in the spectra because of ionization discrimination. For example, alkyl compounds cannot be detected using (+) APPI Orbitrap MS and FT-ICR MS.…”

Section: Resultsmentioning

confidence: 99%

Extension of the Analytical Window for Characterizing Aromatic Compounds in Oils Using a Comprehensive Suite of High-Resolution Mass Spectrometry Techniques and Double Bond Equivalence versus Carbon Number Plot

Cho¹,

Birdwell

Hur

et al. 2017

Energy Fuels

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In this study, comprehensive two-dimensional (2D) gas chromatography–mass spectrometry (GC–MS), atmospheric pressure photoionization (APPI) quadrupole-Orbitrap mass spectrometry (MS), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) were used to study the aromatic fractions of crude oil and oil shale pyrolysates (shale oils). The collected data were compared and combined in the double bond equivalence (DBE) versus carbon number plot to obtain a more complete understanding of the composition of the oil fractions. The numbers of peaks observed by each technique followed the order 2D GC–MS < Orbitrap MS < FT-ICR MS. The class distributions observed by Orbitrap MS and FT-ICR MS were similar to each other but different from that observed by 2D GC–MS. The DBE and carbon number distributions of the 2D GC–MS and Orbitrap MS data were similar for crude oil aromatics. The FT-ICR MS plots of DBE and carbon number showed an extended range of higher values relative to the other methods. For the aromatic fraction of an oil shale pyrolysate generated by the Fischer assay, only a few nitrogen-containing compounds were observed by 2D GC–MS but a large number of these compounds were detected by Orbitrap MS and FT-ICR MS. This comparison clearly shows that the data obtained from these three techniques can be combined to more completely characterize oil composition. The data obtained by Orbitrap MS and FT-ICR MS agreed well with one another, and the combined DBE versus carbon number plot provided more complete coverage of compounds present in the fractions. In addition, the chemical structure information provided by 2D GC–MS could be matched with the chemical formulas in the DBE versus carbon number plots, providing information not available in ultrahigh-resolution MS results. It was therefore concluded that the combination of 2D GC–MS, Orbitrap MS, and FT-ICR MS in the DBE versus carbon number space facilitates structural assignment of heavy oil components.

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Section: Resultsmentioning

confidence: 99%

Extension of the Analytical Window for Characterizing Aromatic Compounds in Oils Using a Comprehensive Suite of High-Resolution Mass Spectrometry Techniques and Double Bond Equivalence versus Carbon Number Plot

Cho¹,

Birdwell

Hur

et al. 2017

Energy Fuels

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“…The number of heteroatom compounds has no obvious change rules with the pyrolysis temperature. However, this is significantly lower than the total number of heteroatom compounds detected by positive-ion ESI FT-ICR MS. 45 2.2. Characterization of Neutral Nitrogen Species.…”

Section: Resultsmentioning

confidence: 99%

Pyrolysis Temperature Effect on Compositions of Neutral Nitrogen and Acidic Species in Shale Oil Using Negative-Ion ESI FT-ICR MS

et al. 2020

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Negative-ion electrospray ionization (ESI) Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to study the effect of the pyrolysis temperature (400, 430, 460, 490, and 520 °C) on acidic and neutral nitrogen species in Huadian shale oil. To more accurately analyze the influence, shale oils produced during the heat-up stage were abandoned. The results show that because of the influence of polymerization and cracking reactions, the increase in temperature increases the content of pyrrole, thiophene, furan, phenol, and aromatic ring cores and decreases the content of carboxylic acid, respectively. Among all the heteroatom compounds identified from negative-ion ESI FT-ICR MS, the relative abundance of N 1 O 1 , N 1 O 2 , N 1 O 3 , N 2 , N 2 O 1 , O 1 , O 3 , O 1 S 1 , and N 1 S 1 species increases, whereas that of O 2 and O 4 species decreases as the pyrolysis temperature increases. The decrease in the O 2 species can be attributed to carboxylic acid with a double-bond equivalence (DBE) value of 1, whereas the increase in the O 2 species with DBE values of 7 and 9 can be attributed to the formation of furan, phenol, and aromatic ring by the polymerization reaction at higher pyrolysis temperatures. Although the effect of the reaction temperature on the molecular composition of acidic and neutral nitrogen species is complex, still characteristic rules are found in this study.

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“…A total of 14 basic nitrogen and 12 acidic class species were detected. Tong et al 245 compared the composition of nitrogen-containing compounds in Huadian pyrolysis shale oil with that of U.S. Western shale oil and Russian Slanet shale oil. The neutral nitrogen classes are similar, while the relative abundance of the basic N1 class species is much higher than that in the other two oils.…”

Section: Characterization Of Alternative Fuelsmentioning

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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Influence of Heating Rate on Basic Nitrogen-Containing Species Content in Dachengzi Shale Oil Studied by Positive-Ion Electrospray Ionization Ft-Icr Mass Spectrometry

Cited by 9 publications

References 33 publications

Extension of the Analytical Window for Characterizing Aromatic Compounds in Oils Using a Comprehensive Suite of High-Resolution Mass Spectrometry Techniques and Double Bond Equivalence versus Carbon Number Plot

Extension of the Analytical Window for Characterizing Aromatic Compounds in Oils Using a Comprehensive Suite of High-Resolution Mass Spectrometry Techniques and Double Bond Equivalence versus Carbon Number Plot

Pyrolysis Temperature Effect on Compositions of Neutral Nitrogen and Acidic Species in Shale Oil Using Negative-Ion ESI FT-ICR MS

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

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