样品选择结合分段直接校正法和偏最小二乘法用于近红外光谱分析模型传递研究

A transfer method of near infrared (NIR) spectra analysis model is studied in order to enable one instrument (reference instrument) and the other one (target instrument) to share the model. The transfer set samples are selected with Mahalanobis distances by taking an analysis model of mixed-amine fuel for example, and the algorithm of piecewise direct standardization (PDS) combined partial least squares (PLS) is used to set the spectral correction matrix between the reference and target instruments. The number of transfer samples, the number of prime factors of PLS regression and the window width of PDS are confirmed based on the average of root mean square (ARMS) of corrected spectra of transfer samples. The corrected rate of spectra of transfer samples reachs 96.5% with transfer sample number of 12 and prime factor number of 1 and window width of 39. Standard deviation of prediction set (SEP) of every analysis item on target instrument is near SEP on reference instrument after the analysis model of mixed-amine is transferred, the transferred model can predicate triethylamine content, xylidine content, water content and density accurately. The results indicate that the sample selection based on Mahalanobis distances and PDS-PLS algorithms can deduct the difference of NIR spectra among instruments and improve the analytical accuracy of NIR model. [ABSTRACT FROM AUTHOR]