Characterization of Supercomplex Crude Oil Mixtures: What Is Really in There?

Panda, Saroj K.; Andersson, Jan T.; Schräder, Wolfgang

doi:10.1002/anie.200803403

Cited by 148 publications

(112 citation statements)

References 25 publications

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“…One of the challenges surrounding the study of crude oil at the molecular level is, however, the extraordinary diversity of the structures that are present . For example, the asphaltenes comprise a range of functional groups, including alkyl rings and chains, aromatic and heteroaromatic rings, carboxylic acids, basic nitrogen groups, and porphyrins . The exact assembly of these various fragments into an idealized asphaltene molecule, however, remains a topic of considerable debate.…”

Section: Introductionmentioning

confidence: 99%

Incorporation of steroidal biomarkers into petroleum model compounds

Scherer

Hampel

Gray

et al. 2012

J of Physical Organic Chem

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A series of fully‐substituted 5,6‐benzoquinolines covalently fused to the chlolestane framework has been synthesized to serve as model compounds for the poorly characterized components found in the heaviest fractions of petroleum, namely the asphaltenes. Acid‐catalyzed cyclocondensation of an aromatic imine with 5‐α‐cholestan‐3‐one gives 5,6‐benzoquinoline cycloadducts incorporating the steroidal biomarker fused to the benzoquinoline system at the 3,4‐positions, with various pendent substituents in the 2‐position. X‐ray crystallography of three such derivatives shows that the solid‐state geometries of these molecules are quite similar, and packing in the solid state appears to be dominated to a great extent by the nature of the pendent substituent. X‐ray crystallography and solution phase circular dichroism spectroscopy together suggest that the conjugated benzoquinoline moiety adopts a helical conformation. Copyright © 2012 John Wiley & Sons, Ltd.

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Section: Introductionmentioning

confidence: 99%

Incorporation of steroidal biomarkers into petroleum model compounds

Scherer

Hampel

Gray

et al. 2012

J of Physical Organic Chem

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“…They are more complex and composed different than traditional commercial crude oils [1][2][3]. Aromatic compounds, especially polycyclic aromatic hydrocarbons (PAH) play an important role in fossil fuels and their byproducts.…”

Section: Introductionmentioning

confidence: 99%

“…Crude oil is a supercomplex sample [1] of different chemical species. Therefore the identification and quantification of individual compounds is difficult.…”

Section: Introductionmentioning

confidence: 99%

Application of pyrolysis–mass spectrometry and pyrolysis–gas chromatography–mass spectrometry with electron-ionization or resonance-enhanced-multi-photon ionization for characterization of crude oils

Otto

Streibel

Erdmann

et al. 2015

Analytica Chimica Acta

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“…Petroleum fractions constitute supercomplex mixtures, 18 and therefore some kind of analyte separation is needed before the analysis can be done. A method for the trace analysis of ketones in fossil materials has been developed 5 and involves two main steps.…”

Section: ■ Introductionmentioning

confidence: 99%

Effect of Storage and Hydrodesulfurization on the Ketones in Fossil Fuels

Alhassan

Andersson

2015

Energy Fuels

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Stability of fuels on storage is a topic of major concern. Oxidation prone compounds are known to react with air oxygen to form polar oxygenated products that ultimately can precipitate as a gum. Ketones are such reactive compounds, and here they are analyzed in several materials. They are recorded in a diesel as a function of the degree of hydrodesulfurization (HDS). A ketone selective reagent is used to derivatize only ketones, thus avoiding confusion with other one oxygen-atom containing compounds. The analysis was done using ultrahigh resolution Orbitrap mass spectrometry. The alkanones that were present in the original material are removed through HDS. Plenty of mainly aromatic ketones are formed when the fuel is stored in contact with air. A heating oil was stored under near-ambient conditions and analyzed after 12 and 18 months. Aromatic ketones arose throughout the storage, but their pattern did not change with time. A phenol selective derivatization reagent was used to show that many ketones containing a total of two oxygen atoms are in fact hydroxyphenyl alkyl ketones. A sediment contained ketones possessing a total of one to five oxygen atoms. The advantage of using selective derivatization reagents to differentiate between isomers based on their functional groups is demonstrated.

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Characterization of Supercomplex Crude Oil Mixtures: What Is Really in There?

Abstract: Through different windows: One major obstacle in energy research is the complexity and variety of compounds present in crude oil. A study of different ionization methods for mass spectrometry shows that the mass spectrum very strongly depends on which method is used.

Cited by 148 publications

References 25 publications

Incorporation of steroidal biomarkers into petroleum model compounds

Incorporation of steroidal biomarkers into petroleum model compounds

Application of pyrolysis–mass spectrometry and pyrolysis–gas chromatography–mass spectrometry with electron-ionization or resonance-enhanced-multi-photon ionization for characterization of crude oils

Effect of Storage and Hydrodesulfurization on the Ketones in Fossil Fuels

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