Investigation on spectral standardization among multi-channel of an on-line near-infrared spectrometer

Abstract

To tackle the issue that the multivariate calibration model cannot be shared among channels due to the inter-channel spectral differences in the on-line multi-channel spectrometer, taking the determination of octane number (RON) and aromatic hydrocarbon content (AC) of multiple reformulated gasoline by on-line Fourier transform near-infrared (FT-NIR) spectrometer combined with partial least squares (PLS) as an example, a novel approach for spectral standardization by piecewise cosine spectra (cosSSM) is proposed in this paper. A total of 42 reformulated gasoline samples were collected and their RON and AC were determined using standard methods with their NIR absorption spectra being measured using the three channels of an on-line NIR spectrometer, respectively. To prove the effectiveness of cosSSM, the spectra of each channel were standardized using cosSSM, and the PLS models of RON and AC were established using the cosine spectra in one channel, then the predictions of the cosine spectra in the other channels were made. The results suggested that cosSSM effectively eliminated the adverse effect of inter-channel spectral variation on the applicability of the channel-specific PLS model, and the performance was comparable to that of the well-established piecewise direct standardization (PDS) method. Besides, cosSSM is relatively simple and easy-to-implement in practical application.