Alkane isomers: Presence in petroleum ether and complexity

Research output: Contribution to journalArticle

Abstract

The presence and absence of alkane isomers in petroleum and petroleum derivatives depend on the complexity of these structures. It was assumed that the more complex the structure is the less probable it is that that the molecule can be detected in any petroleum derivative. Complexity is a vague concept, which has not been defined in quantitative terms yet, and therefore there is no experimental method, which could be used to determine 'complexity'. Mass spectrometry and infrared spectroscopy in combination with gas chromatography were used to identify the various structural isomers of alkanes in petroleum ether. The isomers were categorised in quantitative terms by using topological indices and linear discriminant analysis. It was found that alkanes possessing a more complex, highly branched structure are less probable to be detected in petroleum ether than isomers with a simpler backbone structure. It was proposed that the experimental 'measure' of the complexity of isomer i should be proportional to 1/ C i , where C i , denotes the concentration of isomer i in a (primary) petroleum derivative.

Original languageEnglish
Pages (from-to)323-335
Number of pages13
JournalSAR and QSAR in Environmental Research
Volume17
Issue number3
DOIs
Publication statusPublished - Jun 1 2006

Fingerprint

Alkanes
Petroleum
crude oil
ether
alkane
Isomers
Paraffins
alkanes
Ethers
ethers
isomers
Crude oil
petroleum
Derivatives
Discriminant Analysis
Gas Chromatography
Mass Spectrometry
Spectrum Analysis
Discriminant analysis
gas chromatography

Keywords

  • Classification codes
  • Refined oil
  • Saturated hydrocarbons
  • Topological indices

ASJC Scopus subject areas

  • Chemistry(all)
  • Physical and Theoretical Chemistry
  • Environmental Science(all)
  • Toxicology
  • Health, Toxicology and Mutagenesis

Cite this

Alkane isomers : Presence in petroleum ether and complexity. / Lukovits, I.; Fodor, J.; Gömöry, A.; Komáromi, I.; Keresztury, G.; Kótai, L.

In: SAR and QSAR in Environmental Research, Vol. 17, No. 3, 01.06.2006, p. 323-335.

Research output: Contribution to journalArticle

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