2020
DOI: 10.1021/acs.energyfuels.0c01365
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Innate Sulfur Compounds as an Internal Standard for Determining Vacuum Gas Oil Compositions by APPI FT-ICR MS

Abstract: Innate sulfur components in high boiling petroleum samples were used as an internal standard for the estimation of the sample's composition through atmospheric pressure photo ionization (APPI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The first step was recording a representative mass spectrum for the aromatic components through the use of a time-of-flight mass spectrometer (TOF MS) to tune the FT-ICR MS parameters. The molecular weight and number of sulfur atoms per species iden… Show more

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Cited by 27 publications
(26 citation statements)
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“…Briefly, the saturated components were determined to be the mass balance after all aromatic compounds have been determined through the use of innate sulfur compounds as internal standard for atmospheric pressure photoionization (APPI) Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). The prior reported determination of saturates by comprehensive 2-dimensional gas chromatography with flame ionization detection (GCxGC-FID) is extended here to the heavier VGO fractions . The error bars in Figure represent the relative standard deviation as follows: for the saturates (SATs) a repeated analysis of cut #20, for the GCxGC-FID data an arbitrary 15%, and for the APPI FT-ICR MS data obtained for three repeat analyses.…”
Section: Resultssupporting
confidence: 86%
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“…Briefly, the saturated components were determined to be the mass balance after all aromatic compounds have been determined through the use of innate sulfur compounds as internal standard for atmospheric pressure photoionization (APPI) Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). The prior reported determination of saturates by comprehensive 2-dimensional gas chromatography with flame ionization detection (GCxGC-FID) is extended here to the heavier VGO fractions . The error bars in Figure represent the relative standard deviation as follows: for the saturates (SATs) a repeated analysis of cut #20, for the GCxGC-FID data an arbitrary 15%, and for the APPI FT-ICR MS data obtained for three repeat analyses.…”
Section: Resultssupporting
confidence: 86%
“…The resulting mass spectra and identified hydrocarbon formulas in the form of carbon number versus double bond equivalent (DBE) values are shown in Figure (top to bottom) for the lightest (#14), middle (#20), and heaviest (#26) vacuum-boiling fractions and for the vacuum residue (#27). In agreement with prior analyses of saturates fractions using similar experimental parameters, molecular ions were obtained with limited fragmentation. , The mass spectra of cuts #20 and #27 contain signals attributed to the Agilent APPI tune mix ( m / z = 322, 366, 922, and 1521) initially used for verifying the mass calibration. Mass spectra for all six characterized samples are provided in Figure S3.…”
Section: Resultssupporting
confidence: 58%
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“…Finally CPC×SFC/HRMS analysis allowed a more accurate characterisation than an analysis by SFC/HRMS. As shown previously [20], a strong ionisation suppression can occur during VGO analysis by SFC/HRMS due to ionisation competition of analytes entering simultaneously in the ionisation source [29]. By calculating the weighted average nC based on the intensity of ions detected in SFC/HRMS, it appeared that the average nC for a given DBE was higher than the one calculated using data from CPC×SFC/HRMS analysis.…”
Section: Analysis Of Vgos By Cpcxsfc/hrmsmentioning
confidence: 70%
“…Although analytical devices become more and more powerful, petroleomics is still a challenge for chemical analysis [18]. Ultra high-resolution mass spectrometry such as Fouriertransform ion cyclotron resonance mass spectrometry (FT-ICR-MS) plays an important role in this research field by identifying several thousands of oil components and globally improving knowledge about HCK reactions [19][20][21][22]. Nevertheless, mass spectrometry alone cannot resolve the complexity of petroleum due to ionisation competition leading to qualitative data and the inability to differentiate isomeric species [23].…”
Section: Introductionmentioning
confidence: 99%