Chemometrics as a tool to analyse complex chemical mixtures: Environmental forensics and fate of oil spills. PhD thesis

Jan Henning Christensen

    Publikation: Bog/antologi/afhandling/rapportPh.d.-afhandling


    Chemical characterisation of contaminant mixtures is important for environmental
    forensics and risk assessment. The great challenge in future research lies in develop-
    ing suitable, rapid, reliable and objective methods for analysis of the composition of
    complex chemical mixtures. This thesis describes the development of such methods
    for assessing the identity (chemical fingerprinting) and fate (e.g. biodegradation) of
    petroleum hydrocarbon mixtures. The methods comply with the general concept that
    suitable methods must be rapid and inexpensive, objective with limited human in-
    tervention and at the same time must consider a substantial fraction of compounds in
    the complex mixture. A combination of a) limited sample preparation, b) rapid
    chemical screening analysis, c) fast and semi-automatic pre-processing, d) compre-
    hensive multivariate statistical data analysis and e) objective data evaluation was
    used throughout the thesis.
    ForlagNational Environmental Research Institute
    Antal sider70
    ISBN (Trykt)87-7772-860-2
    StatusUdgivet - 2005


    • Oil spills
    • petroleum hydrocarbon
    • complex mixture
    • polyaromatic compounds
    • petroleum biomarkers
    • environmental forensics
    • chemical fingerprinting
    • biodegradation
    • weathering
    • correlation optimised warping
    • principal component analysis
    • parallel factor analysis
    • gas chromatography – mass spectrometry
    • fluorescence spectroscopy
    • data preprocessing

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