Remote fiber optic Raman analysis of benzene, toulene, and ethylbenzene in mock petroleum fuels using partial least squares regression analysis

Remote fiber optic Raman spectroscopy utilizing CCD detection and near IR diode laser excitation is used to analyze mock petroleum fuel samples with individual benzene, toulene, and ethylbenzene (BTE) concentrations ranging from 0 to 16%. Specific Raman spectral regions which contain BTE vibrational...

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Published inSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 52; no. 10; pp. 1235 - 1244
Main Authors Flecher, Philip E., Cooper, John B., Vess, Thomas M., Welch, William T.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.09.1996
Subjects
Aromatics
Chemometrics
Fiber optics
Fuels
Gasoline
Multivariate analysis
Petroleum
Remote
Aromatics
Gasoline
Remote
Fuels
Multivariate analysis
Chemometrics
Petroleum
Fiber optics
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Abstract Remote fiber optic Raman spectroscopy utilizing CCD detection and near IR diode laser excitation is used to analyze mock petroleum fuel samples with individual benzene, toulene, and ethylbenzene (BTE) concentrations ranging from 0 to 16%. Specific Raman spectral regions which contain BTE vibrational modes, as well as the entire spectrum, are correlated to the known concentrations of BTE in the samples by Partial Least Squares (PLS) regression analysis. The error associated with the models using only specific spectral regions is less than those using the entire spectral regions in the regression analysis. The use of specific spectral regions minimizes both the time of the regression analysis and the amount of noise associated within the most highly correlated regression model factors; thus over fitting of the data is avoided and the reliability of subsequent predictions is improved.
AbstractList Remote fiber optic Raman spectroscopy utilizing CCD detection and near IR diode laser excitation is used to analyze mock petroleum fuel samples with individual benzene, toulene, and ethylbenzene (BTE) concentrations ranging from 0 to 16%. Specific Raman spectral regions which contain BTE vibrational modes, as well as the entire spectrum, are correlated to the known concentrations of BTE in the samples by Partial Least Squares (PLS) regression analysis. The error associated with the models using only specific spectral regions is less than those using the entire spectral regions in the regression analysis. The use of specific spectral regions minimizes both the time of the regression analysis and the amount of noise associated within the most highly correlated regression model factors; thus over fitting of the data is avoided and the reliability of subsequent predictions is improved.
Author Vess, Thomas M.
Cooper, John B.
Flecher, Philip E.
Welch, William T.
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Cites_doi 10.1093/chromsci/30.1.32
10.1021/ac00060a011
10.1016/S0003-2670(00)80527-9
10.1021/ac00209a024
10.1366/0003702934066316
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Keywords Aromatics
Gasoline
Remote
Fuels
Multivariate analysis
Chemometrics
Petroleum
Fiber optics
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Snippet Remote fiber optic Raman spectroscopy utilizing CCD detection and near IR diode laser excitation is used to analyze mock petroleum fuel samples with individual...
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SubjectTerms Aromatics
Chemometrics
Fiber optics
Fuels
Gasoline
Multivariate analysis
Petroleum
Remote
Title Remote fiber optic Raman analysis of benzene, toulene, and ethylbenzene in mock petroleum fuels using partial least squares regression analysis
URI https://dx.doi.org/10.1016/0584-8539(96)01660-1
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