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Chemometric study of excitation-emission matrix fluorescence data: Quantitative analysis of petrol-kerosene mixtures
Divya Ottoor,
Published in
2008
Volume: 62
   
Issue: 7
Pages: 753 - 758
Abstract
Products of petroleum crude are multifluorophoric in nature due to the presence of a mixture of a variety polycyclic aromatic hydrocarbons (PAHs). The use of excitation - emission matrix fluorescence (EEMF) spectroscopy for the analysis of such multifluorophoric samples is gaining progressive acceptance. In this work, EEMF spectroscopic data is processed using chemometric multivariate methods to develop a reliable calibration model for the quantitative determination of kerosene fraction present in petrol. The application of the N-way partial least squares regression (N-PLS) method was found to be very efficient for the estimation of kerosene fraction. A very good degree of accuracy of prediction, expressed in terms of root mean square error of prediction (RMSEP), was achieved at a kerosene fraction of 2.05%. ©2008 Society for Applied Spectroscopy.
About the journal
JournalApplied Spectroscopy
ISSN00037028
Open AccessNo
Concepts (31)
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    Aromatic compounds
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    Aromatic hydrocarbons
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    Crude petroleum
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    Curve fitting
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    Emission spectroscopy
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    Fluorescence
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    Food processing
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    Forecasting
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    Gasoline
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    Hydrocarbons
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    Kerosene
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    Least squares approximations
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    Light emission
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    Luminescence
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    Matrix algebra
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    Organic compounds
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    Polycyclic aromatic hydrocarbons
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    APPLIED SPECTROSCOPY
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    CALIBRATION MODELS
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    CHEMOMETRIC
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    Degree of accuracy
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    EXCITATION-EMISSION MATRIX (EEM)
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    FLUORESCENCE DATA
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    MULTIVARIATE METHODS
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    PARTIAL LEAST SQUARES REGRESSION (PLSR)
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    Polycyclic aromatic hydrocarbons (pahs)
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    Quantitative analysis
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    Quantitative determinations
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    ROOT-MEAN-SQUARE ERROR OF PREDICTION (RMSEP)
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    Spectroscopic data
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    Petroleum products