In the spectral quantitative analysis of scattering solution, the improvement of accuracy is seriously restricted by the nonlinearity caused by scattering, and even the measurement will fail due to the influence of scattering. The important reasons are that the modeling variables are greatly affected by nonlinearity, and the information contained in the modeling data cannot represent the scattering characteristics. In this paper, a method is proposed, in which the spectral data of several optical pathlengths with equal space are combined as the modeling data set of a sample. These highly correlated spectral data contain relatively nonlinear information. The addition of the spectral data provides more options for the selection of principal components in modeling with PLS method. By giving lower weight to the corresponding wavelength which is greatly affected by scattering, the model is insensitive to scattering and the prediction accuracy is improved. Through the spectral quantitative analysis experiment on strong scattering material, the prediction accuracy of the model was 61.7% higher than that of the traditional method and was 58.5% higher than that of the variable sorting for normalization method. The feasibility of the method is verified.
In spectrochemical quantitative analysis of solutions containing scattering components, the spectral nonlinearity caused by scattering seriously affects the prediction accuracy, robustness, and even feasibility of the models. Unlike the traditional methods (modeling with the spectra data of single pathlength) of approximating the nonlinear spectral line to linear to reduce the nonlinear features of scattering, a new method is proposed to reduce the effect of scattering by taking advantage of the nonlinear characteristics of spectral lines. First, the logarithmic function is used to fit the attenuation of multiple pathlengths, then the regression coefficient of the function is taken as the characteristic parameter of scattering, and the wavelengths with smaller characteristic parameter are selected as the modeling wavelengths. The model is robust and insensitive to the effect of scattering. The experiment involving a variety of scattering cases containing intralipids and ink was taken to verify the method. An F-test of the experimental results was significant at the 0.05 level. The root mean square error of prediction of the new method was 1.94%, and the prediction accuracy was 75.5% higher than that of the traditional model. The new method provides a novel approach toward describing the spectral nonlinearity with a function.
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