Abstract
The complexity of crude oil samples has hindered its detailed analysis and understanding. Although modern analytical methods such as ultrahigh-resolution mass spectrometry have opened the understan...
Highlights
Crude oil, one of the most complex chemical mixtures in the world, serves as a feedstock for the petrochemical industry and as raw material for many chemical products such as fuels, solvents, lubricant oils, plastics, fertilizers, and others
Cold-EI Gas chromatography (GC)/MS is a new and extremely interesting method,[6,7] gas chromatography has some limits when it comes to the analysis of very polar or heavy and highly aromatic components with a molecular weight much higher than 400 Da.[2,8−13] To counter these limitations, ultrahigh-resolution mass spectrometry (UHRMS) by Fourier transform ion cyclotron resonance (FT-ICR MS) or Orbitrap mass analyzers has been successfully applied to characterize medium to highly polar compounds, as well as heavy components in crude oils and its derivatives down to the molecular level.[14−22] It has been demonstrated that, due to different ionization characteristics and discrimination effects, using different ionization sources, such as electrospray ionization (ESI) and atmospheric pressure photoionization (APPI), together with UHRMS is important to obtain a more complete chemical characterization of crude oils.[23−25]
For ESI(+), no molecular formulas were found with DBE/C ≥ 0.7; for ESI(−) and APPI(+) data, the resin 2 fraction presents the highest number of assignments with DBE/C ≥ 0.7 when compared with the whole crude oil and resin 1
Summary
One of the most complex chemical mixtures in the world, serves as a feedstock for the petrochemical industry and as raw material for many chemical products such as fuels, solvents, lubricant oils, plastics, fertilizers, and others. We found evidence that after a standard API 143 SARA fractionation from different crude oil materials, still some material was found on the alumina column, the methanol mobile phase, which is known as a strong eluting agent, does not remove any further compounds from the stationary phase. We have added another mobile phase system, using ethyl acetate, to fully remove all compounds from the stationary phase to get a full SARA fractionation. This procedure is summarized in Scheme 1 and was first reported here.[41] This study focused more on the correlation between API gravity and molecular compositional data from HRMS. ■ For each spectrum, the values of the weight-average molecular weight (Mw) and the number-average molecular weight (Mn) are described
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