Local factor analysis of rank-deficient reaction systems

C. J. Xu*, S. Gourvénec, Y. Z. Liang, D. L. Massart

*Bijbehorende auteur voor dit werk

    OnderzoeksoutputAcademicpeer review

    12 Citaten (Scopus)

    Samenvatting

    The analysis of spectral measurement data sets using local factor analysis (LFA) requires the rank of the sub-matrix under study to be equal to the number of absorbing species present in the associated sub-system. However, because of mass balance or kinetic constraints, LFA will fail if local rank deficiency occurs. A local rank deficiency sub-system may be present in a global full-rank reaction system or a rank-deficient one. In this paper, the problems occurring when using window target-testing factor analysis (WTTFA), one type of the LFA methods, in a local rank-deficient situation are shown. A new augmented WTTFA (AWTTFA) is then proposed for the correct use of WTTFA when rank deficiency occurs. Principles of this new method have been demonstrated by a simulated kinetic system and an industrial batch data set.

    Originele taal-2English
    Pagina's (van-tot)1-8
    Aantal pagina's8
    TijdschriftAnalytica Chimica Acta
    Volume575
    Nummer van het tijdschrift1
    DOI's
    StatusPublished - 4-aug-2006

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