Pe. Flecher et al., REMOTE FIBER OPTIC RAMAN ANALYSIS OF BENZENE, TOULENE, AND ETHYLBENZENE IN MOCK PETROLEUM FUELS USING PARTIAL LEAST-SQUARES REGRESSION-ANALYSIS, SPECT ACT A, 52(10), 1996, pp. 1235-1244
Remote fiber optic Raman spectroscopy utilizing CCD detection and near
IR diode laser excitation is used to analyze mock petroleum fuel samp
les with individual benzene, toulene, and ethylbenzene (BTE) concentra
tions ranging from 0 to 16%. Specific Raman spectral regions which con
tain BTE vibrational modes, as well as the entire spectrum, are correl
ated to the known concentrations of BTE in the samples by Partial Leas
t Squares (PLS) regression analysis. The error associated with the mod
els using only specific spectral regions is less than those using the
entire spectral regions in the regression analysis. The use of specifi
c spectral regions minimizes both the time of the regression analysis
and the amount of noise associated within the most highly correlated r
egression model factors; thus over fitting of the data is avoided and
the reliability of subsequent predictions is improved.