污水化学需氧量近红外光谱分析的波段选择

Waveband Selection for Near-Infrared Spectroscopy Analysis of Chemical Oxygen Demand in Wastewater

采用近红外透射光谱和移动窗口偏最小二乘(MWPLS)方法,建立污水化学需氧量(COD)近红外光谱分析的优化模型最优模型的对应波段为820-850nm,采用波长点个数为16,PLS因子数、RMSEP、RP分别为13,25.5mg/L,0.968,预测相关很高,其预测效果明显优于全谱模型,并且采用的波长点个数远远优于全谱波长点的个数,大大降低模型的复杂性,可为设计专用近红外光谱仪器提供参考.

The optimal model for chemical oxygen demand（COD） in wastewater was founded by near-infrared spectroscopy analysis combined with moving window partial least squares（MWPLS） method.According to the prediction effect,the optimal model was selected,and the corresponding waveband,number of adopted wavelengths,PLS factor,RMSEP,RP were 820-850nm,16,13,25.5 mg/L,and 0.968 respectively,which was obviously superior to the optimal PLS model on the whole spectral collecting region.The result indicated that the MWPLS method can improve the model prediction effect,reduce model complexity,and provide valuable reference for designing special near-infrared spectrometer.