采用偏最小二乘法(PLS)建立近红外光谱法分析航空煤油初馏点的数学模型。重点研究了光谱预处理方法和建模波段的选择,结果表明:采用一阶微分无窗口平滑的预处理方法,利用764~960 nm和1 000~1 020 nm波段组合建立的模型效果最好,模型的相关系数(r)、校正标准偏差(SEC)和预测标准偏差(SEP)分别为0.910 2,1.01 ℃和2.69 ℃,其中r和SEC优于文献值(r=0.885 2,SEC=3.86 ℃),配对t检验验证该模型的预测准确度高。

Partial least square (PLS) regression was applied to the establishment of mathematical model in the NIRS analysis for initial boiling point of aviation kerosene. Emphasis was paid on the choice of methods of pretreatment of the near infra-red spectra and wave band of the model. As shown by the experimental results, best prediction effects were obtained by using the method of 1st derivation without window smoothing in the wave band combination of 764-960 nm and 1 000-1 020 nm. Values of r, SEC and SEP found were 0.910 2, 1.01 ℃ and 2.69 ℃ respectively, among which the values of r and SEC were found to be better than the value reported in literature (r=0.885 2, SEC=3.86 ℃). It was verified by t-test, that the results of prediction obtained by the proposed model showed higher accuracy.