Petroleum System Concepts and Tools

Dembicki, Jr. Harry

doi:10.1016/b978-0-12-803350-0.00009-x

Cited by 1 publication

(1 citation statement)

References 5 publications

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“…The selection of oils was carefully designed to avoid other kinds of secondary alterations such as biodegradation, water washing, or secondary cracking. The selections were done from conventional geochemical parameters obtained from a whole-oil fingerprint by gas chromatography with flame ionization (GC-FID) and saturate biomarkers (hopanes and steranes) assessed by GC–MS. , All these samples were also generated in the peak oil window. All 65 samples were classified based on the characteristics of oils from Brazilian off-shore basins reported by Mello et al ,− Major geochemical parameters of our set of petroleum samples are available in Table S1.…”

Section: Samples and Methodsmentioning

confidence: 99%

Lacustrine versus Marine Oils: Fast and Accurate Molecular Discrimination via Electrospray Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Multivariate Statistics

et al. 2020

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The ionizable molecular composition of 36 lacustrine oil samples and 29 marine oil samples from different off-shore Brazilian basins have been screened by ultrahigh-resolution and accuracy Fourier transform ion cyclotron resonance mass spectrometry with electrospray ionization in the negative-ion mode [ESI(−)-FT-ICR MS]. The negative mode has been demonstrated successfully to characterize source rock because it favors the detection of heteroatomic compounds such as nitrogen-, sulfur-, and oxygen-containing (NSO), which reveal information about geochemical environmental. ESI(−)-FT-ICR MS data was processed with a new approach that unifies information from the chemometrics tool and petroleomics conventional data processing. Novel diagrams were proposed that use variable important to projection (VIP), such as molecular formula obtained, via partial leastsquare discriminant analysis (PLS-DA) to plot in diagrams, such as those that display double bond equivalence (DBE) versus number carbon atom (NCA) and H/C ratio versus molecular mass (MM) trends. This new approach is advantageous since it is able to verify and compare all samples at once, obtaining more selective variables, such as molecular formula, and with more confidence because the figures of merit are acquired by statistical tests from PLS-DA, whereas it also provides the usual information from petroleomics tools such DBE, NCA, H/C ratio, MM, and molecular classes. This new approach revealed significant differences in the molecular distribution of heteroatomic components for N-containing and O-containing molecules (N class and O class) allowing a clear separation of all samples in two groups of marine or lacustrine crude oils.

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