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近红外光谱分析中光程长度的选择对农药乳油中有效成分的定量分析影响很大。以透射方式采集毒死蜱乳油样本的近红外光谱,透射附件为不同光程(1、2、4和10 mm)的石英比色皿,讨论了光程长度对模型性能的影响。在毒死蜱乳油中加入二甲苯,配制不同梯度浓度样本,采用偏最小二乘法(PLS)建立了毒死蜱的近红外光谱预测模型。结果表明,当采用4 mm光程的比色皿采集光谱时,所建模型最优,模型对预测集样本的相关系数为0.983,预测均方根误差为0.383。通过独立样本检测模型性能,模型的预测值与实测值间无显著差异,表明采用4 mm光程透射附件采集光谱时所建立的模型是准确可靠的。
The choice of optical path length in near-infrared spectroscopy has a great influence on the quantitative analysis of active ingredients in pesticide EC. Near infrared spectra of chlorpyrifos EC samples were collected by transmission. The transmission accessory was quartz cuvettes with different optical path lengths (1, 2, 4 and 10 mm). The effects of optical path length on the performance of the model were discussed. Xylene was added into the chlorpyrifos EC, and different gradient concentration samples were prepared. Near infrared spectroscopy prediction models of chlorpyrifos were established by partial least squares (PLS). The results showed that the best model was obtained when using the cuvette with 4 mm path length. The correlation coefficient between the model and the prediction set was 0.983 and the root mean square error of prediction was 0.383. Through independent samples to test the performance of the model, there is no significant difference between the predicted value of the model and the measured value, which shows that the model established when using 4 mm optical transmission accessory to collect the spectrum is accurate and reliable.