Unbound MEDLINE

Chemometric analysis of gas chromatography with flame ionisation detection chromatograms: a novel method for classification of petroleum products.

Abstract

Most oil characterisation procedures are time consuming, labour intensive and utilise only part of the acquired chemical information. Oil spill fingerprinting with multivariate data processing represents a fast and objective evaluation procedure, where the entire chromatographic profile is used. Methods for oil classification should be robust towards changes imposed on the spill fingerprint by short-term weathering, i.e. dissolution and evaporation processes in the hours following a spill. We propose a methodology for the classification of petroleum products. The method consists of: chemical analysis; data clean-up by baseline removal, retention time alignment and normalisation; recognition of oil type by classification followed by initial source characterisation. A classification model based on principal components and quadratic discrimination robust towards the effect of short-term weathering was established. The method was tested successfully on real spill and source samples.

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  • Publisher Full Text
  • Authors

    Nielsen NJ, Ballabio D, Tomasi G, Todeschini R, Christensen JH

    Institution

    Department of Basic Sciences and Environment, Faculty of Life Sciences, University of Copenhagen, Thorvaldsensvej 40, 1871 Frederiksberg C, Denmark. njn@life.ku.dk

    Source

    Journal of chromatography. A 1238: 2012 May 18 pg 121-7

    MeSH

    Algorithms
    Bayes Theorem
    Calibration
    Discriminant Analysis
    Flame Ionization
    Least-Squares Analysis
    Petroleum
    Petroleum Pollution
    Principal Component Analysis
    Reproducibility of Results
    Weather

    Pub Type(s)

    Journal Article

    Language

    eng

    PubMed ID

    22503620