乌醋溶液中乌洛托品含量的近红外光谱温度校正模型的研究

Study on Temp Hexamethylenetetramine-acetic acid (HA-HAc) solution is an important raw material for preparing Octogen (HMX). In order to rapidly determine the HA content in HA-HAc solution, the temperature calibration model of quantitatively analyzing HA was established by near-infrared (NIR) spectroscopy technology and adding temperature factor. The effect of temperature and spectral pretreatment method on the model was discussed. Results show that temperature will affect the absorbance of the solution, the average relative error of the model with temperature factor is reduced by 81.74%, and the accuracy of the model is improved. The spectral pretreatment can eliminate the interference of external factors to infrared spectrum collection, which is beneficial to improve the accuracy of modeling. The best pretreatment method is the first derivative + Norris-derivative method. The evaluation parameters of the temperature correction model are correlation coefficient R²=0.9997, the root-mean square error of correlation RMSEC=0.0388, the root-mean square error of cross-validation RMSECV=0.0441, and the root-mean square error of prediction RMSEP=0.0350. The standard deviation of model repeatability is 0.0153% and the repeatability of this method is 0.1298%, revealing that the method can be used for fast determination of HA content in HA-HAc solution.