Characterization of Saturates, Aromatics, Resins, and Asphaltenes Heavy Crude Oil Fractions by Atmospheric Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Gaspar, Andras; Zellermann, Elio; Lababidi, Sami; Reece, Jennifer N.; Schräder, Wolfgang

doi:10.1021/ef3001407

Cited by 120 publications

(113 citation statements)

References 27 publications

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“…This mass cutoff results in large differences in the number of assignments when comparing between GC-APLI-FT-ICR MS and APLI-FT-ICR MS: 1734, compared to 6272 for the PCO; 1723, compared to 9188 for the OSO; and 1655, compared to 6216 for the HSO. The total number of unique chemical compounds identified from the combined GC-APLI-FT-ICR MS and APLI-FT-ICR MS analyses is 6758, 9700, and 7869, for the PCO, OSO, and HSO, respectively, consistent with typically observed numbers in fossil oils reports using APLI-FT-ICR MS. 62 Taking advantage of the high resolving power and mass accuracy of the FT-ICR MS, chemical signatures were detected for the PCO, OSO, and HSO fossil oils based on the PAH classes and relative abundances (see Figure S-2 in the Supporting Information). That is, inspection of the primary heteroatom PAH series (e.g., HC, N, O, and S) shows differences in the structural composition per class and in the relative compositions of PCO, OSO, and HSO fossil oils (see Figures 2 and 3).…”

Section: Resultsmentioning

confidence: 99%

Increasing Polyaromatic Hydrocarbon (PAH) Molecular Coverage during Fossil Oil Analysis by Combining Gas Chromatography and Atmospheric-Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS)

et al. 2016

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Thousands of chemically distinct compounds are encountered in fossil oil samples that require rapid screening and accurate identification. In the present paper, we show for the first time, the advantages of gas chromatography (GC) separation in combination with atmospheric-pressure laser ionization (APLI) and ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) for the screening of polyaromatic hydrocarbons (PAHs) in fossil oils. In particular, reference standards of organics in shale oil, petroleum crude oil, and heavy sweet crude oil were characterized by GC-APLI-FT-ICR MS and APLI-FT-ICR MS. Results showed that, while APLI increases the ionization efficiency of PAHs, when compared to other ionization sources, the complexity of the fossil oils reduces the probability of ionizing lower-concentration compounds during direct infusion. When gas chromatography precedes APLI-FT-ICR MS, an increase (more than 2-fold) in the ionization efficiency and an increase in the signal-to-noise ratio of lower-concentration fractions are observed, giving better molecular coverage in the m/z 100–450 range. That is, the use of GC prior to APLI-FT-ICR MS resulted in higher molecular coverage, higher sensitivity, and the ability to separate and characterize molecular isomers, while maintaining the ultrahigh resolution and mass accuracy of the FT-ICR MS separation.

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Section: Resultsmentioning

confidence: 99%

Increasing Polyaromatic Hydrocarbon (PAH) Molecular Coverage during Fossil Oil Analysis by Combining Gas Chromatography and Atmospheric-Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS)

et al. 2016

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“…Despite advanced separation techniques (see, eg, Ref. 116 ), the peak density is immense. Ultra-high resolution helps to keep peaks apart and, thanks to the high mass accuracy, mass-defect systematization, and elemental composition assignments are excellent.…”

Section: Selected Examples Of Ft-icr Applicationsmentioning

confidence: 99%

Ion traps in modern mass spectrometry

Nolting

Malek

Makarov

2017

Mass Spectrometry Reviews

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This review is devoted to trapping mass spectrometry wherein ions are confined by electromagnetic fields for prolonged periods of time within limited volume, with mass measurement taking place within the same volume. Three major types of trapping mass spectrometers are discussed, specifically radiofrequency ion trap, Fourier transform ion cyclotron resonance and Orbitrap. While these three branches are intricately interwoven with each other over their recent history, they also differ greatly in their fundamentals, roots and historical origin. This diversity is reflected also in the difference of viewpoints from which each of these directions is addressed in this review. Following the theme of the issue, we focus on developments mainly associated with the country of Germany but, at the same time, we use this review as an illustration of the rapidly increasing globalization of science and expanding multi-national collaborations.

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“…1,2 Asphaltenes are defined as insoluble compounds in n-alkane solvent, e.g. n-pentanes or n-heptanes, and soluble compounds in toluene.…”

Section: Introductionmentioning

confidence: 99%

Probing Dynamics and Interaction of Maltenes with Asphaltene Aggregates in Crude Oils by Multiscale NMR

et al. 2015

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Asphaltenes cause many problems in crude oil transportation, refinery and production. A clear understanding of asphaltene behavior in crude oils is thus crucial for improving crude oil production. Here, we used noninvasive multiscale NMR techniques such as low field NMR 2D D-T 2 , T 1 -T 2 , nuclear magnetic relaxation dispersion (NMRD) techniques as well as high field 2D NMR DOSY for probing the dynamics and interaction of maltenes with asphaltene aggregates in crude oil. We prepared different asphaltene concentrations ranging between 0% wt (pure maltenes) and 9% wt (native crude oil) by using a dilution procedure that maintains the asphaltene aggregates structure initially present in native crude oil. We showed by multiscale NMR techniques that changing asphaltene concentration induces a drastic modification of hydrocarbon dynamics. In native crude oil, we observe anomalous relation between the diffusion coefficient (D) and the transverse relaxation time (T 2 ) that we can reproduce theoretically by a quasi 1D diffusion of hydrocarbons in between slowly rotating asphaltene macroaggregates. The relation D α T 2 usually observed in crude oils without asphaltenes was progressively appearing when asphaltene concentration decreased. Our 2D D-T 2 results at 2.5 and 23 MHz show that the diffusion coefficient varies by a factor 4 while the T 2 changes by more than an order of magnitude when the asphaltene concentrations vary. These observations prove that the hydrocarbon dynamics changes drastically at nanoscale and vary much less at large length scales (µm). Moreover, the 2D D-T 2 also shows two different dynamics for short and long chain hydrocarbons in crude oil. This is confirmed by high field 2D NMR DOSY. We found also that the ratio T 1 /T 2 in 2D T 1 -T 2 distribution was progressively reduced when asphaltene concentration decrease with an upward bent away in native crude oil at short T 2 that we succeeded to interpret with the quasi 1D hydrocarbon dynamics. We observed that the NMRD profiles are completely different for crude oil with and without asphaltenes. In native crude oil, NMRD techniques clearly evidence a 2D translational diffusion of short hydrocarbon chains at proximity of the asphaltene nanoaggregates. In crude oil without asphaltene, the NMRD profile is explained in term of a rotational reorientation of hydrocarbon chains. Most of our proposed multiscale NMR techniques could be made down-hole and then can give an invaluable tool for a clear understanding of asphaltene behavior in crude oil.

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Characterization of Saturates, Aromatics, Resins, and Asphaltenes Heavy Crude Oil Fractions by Atmospheric Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Cited by 120 publications

References 27 publications

Increasing Polyaromatic Hydrocarbon (PAH) Molecular Coverage during Fossil Oil Analysis by Combining Gas Chromatography and Atmospheric-Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS)

Increasing Polyaromatic Hydrocarbon (PAH) Molecular Coverage during Fossil Oil Analysis by Combining Gas Chromatography and Atmospheric-Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS)

Ion traps in modern mass spectrometry

Probing Dynamics and Interaction of Maltenes with Asphaltene Aggregates in Crude Oils by Multiscale NMR

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