傅立叶变换近红外分析汽油辛烷值模型优化研究

利用傅立叶变换红外谱仪进行汽油样品辛烷值（RON）测定，采用仪器配备的软件进行模型优化，使用11种光谱预处理方法和不同的谱区组合，计算机自动处理优化过程并评价优化数据，50个汽油样品优化后得到最佳结果，光谱预处理方法为一阶导数，谱区范围为6100.4-4999.1cm^-1。得到的内部交互验证相关系数R2＝99．05％和均方差RMSECV＝0.167，优化后的结果说明，该方法完全能满足测试误差要求，从而为近红外模型优化提供参考。

Study of the Optimization of the Calibration Model for the RON Analyzed by the FT-NIR

The RON of gasoline is tested by the FT-NIR. The optimization of calibration model is studied. The procedure of optimization is implemented by the computer automatically with eleven kinds of preprocessing methods and different spectral regions. The optimum parameters are as follow: the preprocessing method is the first derivative and the spectral region is 6100.4 - 4999.1cm-1. The correlative coefficient of cross validation is 0.9905 and the RMSECV is 0.167. The optimum result indicates that the method can meet requirement of the test error.