近红外漫反射光谱快速分析混合含能材料中黑索金含量  

Fast Analysis of the Content of Cyclotrimethylene Trinitramine in Composite Energetic Material by Near Infrared Diffuse Reflectance Spectroscopy

作　　者：赵云 刘巧娥 李伟 关云山[1] Zhao Yun;Liu Qiaoe;Li Wei;Guan Yunshan(School of Chemical Engineering,Qinghai University,Xining,Qinghai 810016,China;Gansu Yinguang Chemical Industry Group Company Limited,Baiyin,Gansu 730900,China)

机构地区：[1]青海大学化工学院,青海西宁810016 [2]甘肃银光化学工业集团有限公司,甘肃白银730900

出　　处：《化学世界》2019年第11期757-762,共6页Chemical World

基　　金：青海省基础研究计划自然科学基金青年(No.2019ZJ963Q);青海省基础研究计划自然科学基金面上(No.2018ZJ916)资助项目

摘　　要：建立了基于近红外漫反射光谱快速检测某固态含能混合材料中黑索金(RDX)的方法。采集与制备样本共159批次。对比各纯组分光谱确定预选波段。与光谱预处理方法随机组合建立各种偏最小二乘模型。交叉检验均方根误差(RMSECV)、RMSECV/维数曲线确定最优模型。对最优模型评估表明,预测标准差0.50,平均绝对偏差0.41,子模型一致性好,说明方法较准确;残留预测偏差4.20,说明该方法对质量分数为50%~60%的样品具较好分辨力;t检验显示,两方法无显著性系统误差;该方法重复测量精确性优于化学法。两方法相比,该方法精确性更好,环保,节省人力、材料成本。A new method based on near infrared diffuse reflectance spectroscopy was established to rapidly detect the content of cyclotrimethylene trinitramine(RDX) in a solid composite energetic material. 159 samples are acquired via collection and preparation. Abnormal spectra were picked out by comparing three replicate acquisition spectra. Wave bands were chosen by spectral analysis of pure component and these selected wave bands were combined with spectral pretreatment methods to build the partial least square models. The root mean square error of cross verification(RMSECV) and the curve of RMSECV/dimension were used to determine the optimum model for evaluation. The standard error of prediction is 0.50, the mean absolute deviation is 0.41 and the submodel conformance is good. These results revealed the accuracy of this new method. The residual prediction deviation is 4.20 so as to show the strong density resolution and predictive capability of this method for the material having a concentration of 50%~60% RDX. According to the result of t test, there is no significant systematic error between the new method and the chemical method. The new method is more precise than the chemical method for repeated measurements. Compared to the conventional chemical method, the new approach is more precise, environmentally friend, and lower labor and material costs.

关 键 词：近红外光谱技术 含能材料 黑索金 快速分析 

分 类 号：O657.33[理学—分析化学]