Van Krevelen diagram

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Van Krevelen diagram for various solid fuels Van Krevelen diagram for various solid fuels.jpg
Van Krevelen diagram for various solid fuels

Van Krevelen diagrams are graphical plots developed by Dirk Willem van Krevelen (chemist and professor of fuel technology at the TU Delft) and used to assess the origin and maturity of kerogen and petroleum. The diagram cross-plots the hydrogen:carbon atomic ratio as a function of the oxygen:carbon atomic ratio.

Contents

Beginning around 2003, the diagrams are often used to visualize data from mass spectrometry analysis, used for mixtures other than kerogen and petroleum. [1] For example, the diagrams have been used in one analysis of the components in Scotch whiskey. [2]

Types of kerogen

Different types of kerogen have differing potentials to produce oil during maturation. These various types of kerogen can be distinguished on a van Krevelen diagram. [3]

See also

Related Research Articles

<span class="mw-page-title-main">Petroleum</span> Naturally occurring flammable liquid

Petroleum, also known as crude oil, or simply oil, is a naturally occurring yellowish-black liquid mixture of mainly hydrocarbons, and is found in geological formations. The name petroleum covers both naturally occurring unprocessed crude oil and petroleum products that consist of refined crude oil. A fossil fuel, petroleum is formed when large quantities of dead organisms, mostly zooplankton and algae, are buried underneath sedimentary rock and subjected to both prolonged heat and pressure.

<span class="mw-page-title-main">Oil shale</span> Organic-rich fine-grained sedimentary rock containing kerogen

Oil shale is an organic-rich fine-grained sedimentary rock containing kerogen from which liquid hydrocarbons can be produced. In addition to kerogen, general composition of oil shales constitutes inorganic substance and bitumens. Based on their deposition environment, oil shales are classified as marine, lacustrine and terrestrial oil shales. Oil shales differ from oil-bearing shales, shale deposits that contain petroleum that is sometimes produced from drilled wells. Examples of oil-bearing shales are the Bakken Formation, Pierre Shale, Niobrara Formation, and Eagle Ford Formation. Accordingly, shale oil produced from oil shale should not be confused with tight oil, which is also frequently called shale oil.

<span class="mw-page-title-main">Kerogen</span> Solid organic matter in sedimentary rocks

Kerogen is solid, insoluble organic matter in sedimentary rocks. It consists of a variety of organic materials, including dead plants, algae, and other microorganisms, that have been compressed and heated by geological processes. Altogether kerogen is estimated to contain 1016 tons of carbon. This makes it the most abundant source of organic compounds on earth, exceeding the total organic content of living matter 10,000-fold.

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<span class="mw-page-title-main">Electron ionization</span> Ionization technique

Electron ionization is an ionization method in which energetic electrons interact with solid or gas phase atoms or molecules to produce ions. EI was one of the first ionization techniques developed for mass spectrometry. However, this method is still a popular ionization technique. This technique is considered a hard ionization method, since it uses highly energetic electrons to produce ions. This leads to extensive fragmentation, which can be helpful for structure determination of unknown compounds. EI is the most useful for organic compounds which have a molecular weight below 600. Also, several other thermally stable and volatile compounds in solid, liquid and gas states can be detected with the use of this technique when coupled with various separation methods.

Organic geochemistry is the study of the impacts and processes that organisms have had on the Earth. It is mainly concerned with the composition and mode of origin of organic matter in rocks and in bodies of water. The study of organic geochemistry is traced to the work of Alfred E. Treibs, "the father of organic geochemistry." Treibs first isolated metalloporphyrins from petroleum. This discovery established the biological origin of petroleum, which was previously poorly understood. Metalloporphyrins in general are highly stable organic compounds, and the detailed structures of the extracted derivatives made clear that they originated from chlorophyll.

Petroleum geochemistry is the branch of geochemistry which deals with the application of chemical principles in the study of the origin, generation, migration, accumulation, and alteration of petroleum...(John M. Hunt, 1979). Petroleum is generally considered oil and natural gases having various compounds composed of primarily hydrogen and carbon. They are usually generated from the decomposition and/or thermal maturation of organic matter. The organic matter originated from plants and algae. The organic matter is deposited after the death of the plant in sediments, where after considerable time, heat, and pressure the compounds in the plants and algae are altered to oil, gas, and kerogen. Kerogen can be thought of as the remaining solid material of the plant. The sediment - usually clay and/or calcareous (lime) ooze, hardens during this alteration process into rock i.e. shale and/or limestone. The shale or limestone rock containing the organic matter is called the source rock because it is the source, having generated the petroleum.

<span class="mw-page-title-main">Matrix-assisted laser desorption/ionization</span> Ionization technique

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An isotopic signature is a ratio of non-radiogenic 'stable isotopes', stable radiogenic isotopes, or unstable radioactive isotopes of particular elements in an investigated material. The ratios of isotopes in a sample material are measured by isotope-ratio mass spectrometry against an isotopic reference material. This process is called isotope analysis.

<span class="mw-page-title-main">Asphaltene</span> Heavy organic molecular substances that are found in crude oil

Asphaltenes are molecular substances that are found in crude oil, along with resins, aromatic hydrocarbons, and saturates. The word "asphaltene" was coined by Boussingault in 1837 when he noticed that the distillation residue of some bitumens had asphalt-like properties. Asphaltenes in the form of asphalt or bitumen products from oil refineries are used as paving materials on roads, shingles for roofs, and waterproof coatings on building foundations.

In petroleum geology, the maturity of a rock is a measure of its state in terms of hydrocarbon generation. Maturity is established using a combination of geochemical and basin modelling techniques.

<span class="mw-page-title-main">Isotope-ratio mass spectrometry</span>

Isotope-ratio mass spectrometry (IRMS) is a specialization of mass spectrometry, in which mass spectrometric methods are used to measure the relative abundance of isotopes in a given sample.

The thomson is a unit that has appeared infrequently in scientific literature relating to the field of mass spectrometry as a unit of mass-to-charge ratio. The unit was proposed by Cooks and Rockwood naming it in honour of J. J. Thomson who measured the mass-to-charge ratio of electrons and ions.

<span class="mw-page-title-main">Mass (mass spectrometry)</span> Physical quantities being measured

The mass recorded by a mass spectrometer can refer to different physical quantities depending on the characteristics of the instrument and the manner in which the mass spectrum is displayed.

<span class="mw-page-title-main">Fuel</span> Energy released from a source

A fuel is any material that can be made to react with other substances so that it releases energy as thermal energy or to be used for work. The concept was originally applied solely to those materials capable of releasing chemical energy but has since also been applied to other sources of heat energy, such as nuclear energy.

The Kendrick mass is defined by setting the mass of a chosen molecular fragment, typically CH2, to an integer value in amu (atomic mass units). It is different from the IUPAC definition, which is based on setting the mass of 12C isotope to exactly 12 amu. The Kendrick mass is often used to identify homologous compounds differing only by a number of base units in high resolution mass spectra. This definition of mass was first suggested in 1963 by chemist Edward Kendrick, and it has been adopted by scientists working in the area of high-resolution mass spectrometry, environmental analysis, proteomics, petroleomics, metabolomics, polymer analysis, etc.

<span class="mw-page-title-main">Pyrobitumen</span> Type of solid, amorphous organic matter

Pyrobitumen is a type of solid, amorphous organic matter. Pyrobitumen is mostly insoluble in carbon disulfide and other organic solvents as a result of molecular cross-linking, which renders previously soluble organic matter insoluble. Not all solid bitumens are pyrobitumens, in that some solid bitumens are soluble in common organic solvents, including CS
2
, dichloromethane, and benzene-methanol mixtures.

Petroleomics is the identification of the totality of the constituents of naturally occurring petroleum and crude oil using high resolution mass spectrometry. In addition to mass determination, petroleomic analysis sorts the chemical compounds into heteroatom class, type. The name is a combination of petroleum and -omics.

Hydrogen isotope biogeochemistry is the scientific study of biological, geological, and chemical processes in the environment using the distribution and relative abundance of hydrogen isotopes. There are two stable isotopes of hydrogen, protium 1H and deuterium 2H, which vary in relative abundance on the order of hundreds of permil. The ratio between these two species can be considered the hydrogen isotopic fingerprint of a substance. Understanding isotopic fingerprints and the sources of fractionation that lead to variation between them can be applied to address a diverse array of questions ranging from ecology and hydrology to geochemistry and paleoclimate reconstructions. Since specialized techniques are required to measure natural hydrogen isotope abundance ratios, the field of hydrogen isotope biogeochemistry provides uniquely specialized tools to more traditional fields like ecology and geochemistry.

Isotopic reference materials are compounds with well-defined isotopic compositions and are the ultimate sources of accuracy in mass spectrometric measurements of isotope ratios. Isotopic references are used because mass spectrometers are highly fractionating. As a result, the isotopic ratio that the instrument measures can be very different from that in the sample's measurement. Moreover, the degree of instrument fractionation changes during measurement, often on a timescale shorter than the measurement's duration, and can depend on the characteristics of the sample itself. By measuring a material of known isotopic composition, fractionation within the mass spectrometer can be removed during post-measurement data processing. Without isotope references, measurements by mass spectrometry would be much less accurate and could not be used in comparisons across different analytical facilities. Due to their critical role in measuring isotope ratios, and in part, due to historical legacy, isotopic reference materials define the scales on which isotope ratios are reported in the peer-reviewed scientific literature.

References

  1. Kew, William; Blackburn, John W.T.; Clarke, David J.; Uhrín, Dušan (2017-04-15). "Interactive van Krevelen diagrams – Advanced visualisation of mass spectrometry data of complex mixtures". Rapid Communications in Mass Spectrometry. 31 (7): 658–662. Bibcode:2017RCMS...31..658K. doi:10.1002/rcm.7823. ISSN   0951-4198. PMC   5324645 . PMID   28063248.
  2. Kew, Will; Goodall, Ian; Clarke, David; Uhrín, Dušan (2017-01-01). "Chemical Diversity and Complexity of Scotch Whisky as Revealed by High-Resolution Mass Spectrometry" (PDF). Journal of the American Society for Mass Spectrometry. 28 (1): 200–213. Bibcode:2017JASMS..28..200K. doi:10.1007/s13361-016-1513-y. ISSN   1879-1123. PMC   5174148 . PMID   27752914.
  3. "Source Rock and Kerogen". University Gadjah Mada. Retrieved August 18, 2018.