近红外漫反射光谱法快速检测火药吸收药混合液中黑索今组分含量

Fast Determination of RDX Content in Gunpowder Absorbent Powder by Near Infrared Spectroscopy Technique

研究了采用近红外（NIR）漫反射光谱技术快速检测火药吸收药混合液中黑索今（RDX）组分含量的方法。将装有混合液样品的烧杯置于光谱仪主机光源窗口上方,直接采集样品光谱图。通过分析纯RDX和样本的近红外光谱,确定908~945 nm、1 094~1 253 nm和1 577~1 678 nm作为建模谱区。通过比较不同的光谱预处理办法的效果,选择标准正态变换（SNV）＋一阶导数＋谱线平滑对原始光谱进行预处理。采用偏最小二乘方法（PLS）对RDX组分建立了定量线性校正模型。结果表明：模型的交叉验证决定系数（R2cv）为0.987 9,交叉验证均方根误差（RMSECV）为0.242 0,预测均方根误差（RMSEP）为0.212 7,预测结果的平均相对误差为0.566 1%,25 s内完成样品分析。该方法可给改性双基火药的连续自动化生产提供技术支持。

In this study, near infrared （NIR） spectroscopy was used to determine the cyclotrimethylene trinitramine （RDX） content in gunpowder absorbent powder. The beaker filled with mixed liquor samples was placed above the window of spectrometer light source to directly record the spectra. Three optimum spectral intervals, including 908-945 nm, 1094- 1253 nm and 1577-1678 nm, were chosen to construct the model by the analysis of NIR spectra of pure solid RDX and sam- ples. Through comparison of different spectral preprocessing method, the optimum pretreatment method of SNV ＋ 1st ＋ smooth was selected. A quantitative chemometrics model based on the characteristic spectral regions of RDX was estab- lished using the partial least squares （PLS）. The results show that the determination coefficient （RZcv） of cross-validation is 0. 987 9, the root mean square error of cross-validation （RMSECV） is 0. 242 0, and the root mean square error of predication （RMSEP） is 0. 212 7. In addition, the average relative error of prediction is 0.566 1% , and the time for determination is less than 25 seconds. In conclusion, the analysis method can provide technical support for continuous and automatic production of gunpowder.