近红外光谱法测定HMX中α-HMX杂质晶型的含量  

Determination ofα-HMX Phase Impurity Content in HMX by Near Infrared Spectroscopy

作　　者：温晓燕[1] 谯娟[1] 刘红妮[1] 苏鹏飞[1] 石强[1] 胡岚[1] 

机构地区：[1]西安近代化学研究所,陕西西安710065

出　　处：《火炸药学报》2016年第3期61-65,共5页Chinese Journal of Explosives & Propellants

基　　金：国防科工局基础科研项目(Z092013T003)

摘　　要：为了快速检测HMX中杂质晶型α-HMX的含量,在制备建模样品的基础上,利用近红外光谱技术,采用偏最小二乘法建立了HMX光谱与其α-HMX杂质晶型含量的计算模型。讨论了建模样品的代表性、模型光谱范围的选择及模型的优化过程。结果表明,模型具有广泛代表性,最佳光谱范围为6 476~6 446cm-1和4 602~4 424cm-1,交互验证决定系数（R2）为0.996,参考值交互验证残差均方根（RMSECV）为0.20%;外部验证的残差均方根（RMSEP）为0.27%;该法误差均小于0.13%,标准偏差为0.1%;近红外光谱法操作简单、快速、无损、绿色环保,可用于HMX中α-HMX杂质晶型含量的检测。For rapid detection of α‐HMX phase impurity content in HMX ,based on the preparation of samples for building model ,the mathematical model between HMX spectra and α‐HMX impurity phase content was established with partial least squares （PLS） method using near infrared spectroscopy technique .The representativeness of sam‐ples for building model ,the selection of the spectral range and the optimization process of the model were discussed . The results show that the model has a broadly representativeness ,the prefered spectral ranges are 6476-6446 and 4602-4424cm -1 ,the correlation coefficient of cross‐validation is 0 .996 ,the root mean square error of cross‐vali‐dation（RMSECV） is 0 .20% ,and the root mean square error of prediction （RMSEP） of external‐validation is 0 .27% .The error of the method is less than 0 .13% and the standard deviation is 0 .1% .The method has the ad‐vantages of simple operation ,rapid ,non‐destructive and green enviromental protection ,and can be used to detect the α‐HMX phase impurity content in HMX .

关 键 词：分析化学 杂质晶型 偏最小二乘法 近红外光谱技术 HMX α-HMX 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O657.3[理学—分析化学]