近红外波长选择结合偏最小二乘法测定混胺中微量水分  

Determination of water in mixed amine using partial least square with the choice of near infrared spectra

作　　者：王菊香[1] 邢志娜[1] 刘洁[1] 叶勇[1] 

机构地区：[1]海军航空工程学院飞行器工程系,烟台264001

出　　处：《分析试验室》2011年第11期52-55,共4页Chinese Journal of Analysis Laboratory

基　　金：国防预研基金项目(9140A19050106JB1409)资助

摘　　要：对混胺的近红外波长范围进行选择并结合偏最小二乘法建立微量水分的定量分析模型,通过配对t检验(α=0.05)验证校正模型预测的准确性。首先对混胺的性质和其近红外吸收信息进行分析,采用二阶微分(差分宽度为4nm)对光谱进行预处理。研究波长范围对微量水分测定的影响并确定了建模的最佳波长区间为940～965nm。采用偏最小二乘法建立校正模型并对预测集样品进行预测,校正标准偏差(SEC)和预测标准偏差(SEP)分别为0.027和0.038。方法可用于混胺中微量水分的测定。The wavelength range of near Infrared （NIR） spectra was chosen and the quantitative analysis model for the water of mixed-amine was established with partial least squares （PLS）. The accuracy of the model was validated by means of t-test （ α = 0. 05 ）. The property of mixed-amine and its spectrum characteristic were analyzed, and then the 2^nd derivative with size of 4nm was used to pretreat Spectra. Influence of wavelength range on the result of water was studied and the optimal wavelength range of 940 - 965nm was confirmed. The calibration model was established with partial least squares （PLS） and was used to determine the water of samples. The squared error of calibration （SEC） was 0. 027 and the squared error of prediction （SEP） was 0. 038. The result of t-test shows that the water of mixed-amine can be determined quickly by near Infrared spectroscopy （NIRS）

关 键 词：混胺 波长选择 偏最小二乘 

分 类 号：O657.3[理学—分析化学]