搜索热:H13钢 腐蚀
扫一扫 加微信
首页 > 期刊论文 > 论文摘要
化学计量学方法应用于近红外光谱法测定混合炸药中TNT含量
          
Application of Chemometrics to NIRS Determination of TNT in Composite Explosive

摘    要
为构建样品中的被测组分(TNT)的含量与其红外光谱之间的数学模型,从生产线上采集以及按相同方法制备了共计155个样品并采集了它们的红外光谱,根据计算所得光谱残留F值判别并剔除异常光谱。随机选取63个样品的光谱作为校正集,其余92个样品的光谱作为验证集。另外采用常规的溶剂提取-红外光谱法测定了这些样品中TNT的含量作为建模参考值。在最优模型波段(cm-1)为:9 114.1~8 331.2,7 671.6~7 189.5,6 514.5~5 666,5 102.8~4 929.3,4 744.14~4 728.71的条件下,根据校正集的光谱数据,用偏最小二乘法建立数字模型。通过交叉检验均方根误差,RMSECV-维数曲线的理想程度以及光谱主成分分析结果选取了最优模型。采用χ2检验法,以及根据预测标准差和Bias值,结合验证集样品的光谱和数据,评估了方法的精确度和准确度。从TNT含量在36.68%~46.95%内的8个样品的测定结果得出其预测值的Bias值为0.078%,SEP%为0.514%。说明方法的准确度和精密度良好,且无需使用有机试剂。
标    签 近红外光谱法   混合炸药   2,4,6-三硝基甲苯   快速分析   NIRS   composite explosive   2,4,6-trinitrotoluene   fast analysis  
 
Abstract
To establish mathematical model correlating the analyte (TNT) in the explosive samples with their near infrared spectra, a total of 155 samples collected directly from the production line and self-prepared in the same way were taken, and their NIR spectra were taken with the abnormal spectra rejected according to the values of SpecResF found. 63 samples among the 155 were selected at random as the calibration set and the remainder (92 samples) were taken as the testing set. All these samples were analyzed by the conventional NIRS method with solvent extraction, to obtain values of TNT used as reference in modelling. Based on the NIRS data, PLS was applied to establish mathematical models, selecting the following optimum modelling wavelength sections:9 114.1-8 331.2 cm-1, 7 671.6-7 189.5 cm-1, 6 514.5-5 666 cm-1, 5 102.8-4 929.3 cm-1 and 4 744.14-4 728.71 cm-1. Optimal models were selected through cross testing of RMSECV and considering the ideal of the curve of RMSECV/dimension and results of PCA of the spectra. Precision and accuracy of the proposed method were evaluated by applying the χ2-testing, and on the base of values of predictive standard deviation (SEP) and Bias values. 8 samples with TNT contents in the range from (w) 36.5% to 41.9% were analyzed by the proposed new method, giving value of Bias of 0.078% and SEP% of 0.514%. In addition, no organic solvent was used in the new method.

中图分类号 O657.33   DOI 10.11973/lhjy-hx201910015

 
  中国光学期刊网论文下载说明


所属栏目 工作简报

基金项目 青海省基础研究计划自然科学基金青年项目(2019ZJ963Q);青海省基础研究计划自然科学基金面上项目(2018ZJ916);青海省重大科技专项(2018-GX-A8)

收稿日期 2018/9/25

修改稿日期

网络出版日期

作者单位点击查看


备注赵云,副教授,博士,研究方向为化学与化工

引用该论文: ZHAO Yun,WANG Xiaojun,MA Xiao,GUAN Yunshan,CUI Mingxin,HU Xin. Application of Chemometrics to NIRS Determination of TNT in Composite Explosive[J]. Physical Testing and Chemical Analysis part B:Chemical Analysis, 2019, 55(10): 1202~1207
赵云,王小军,马骁,关云山,崔明鑫,胡鑫. 化学计量学方法应用于近红外光谱法测定混合炸药中TNT含量[J]. 理化检验-化学分册, 2019, 55(10): 1202~1207


论文评价
共有人对该论文发表了看法,其中:
人认为该论文很差
人认为该论文较差
人认为该论文一般
人认为该论文较好
人认为该论文很好
分享论文
分享到新浪微博 分享到腾讯微博 分享到人人网 分享到 Google Reader 分享到百度搜藏分享到Twitter

参考文献
【1】董海山,周芬芬.高能炸药及相关物性能[M].北京:科学出版社, 1989.
 
【2】陆婉珍.现代近红外光谱分析技术[M].2版.北京:中国石化出版社出版, 2006.
 
【3】褚小立,刘慧颖,燕泽程.近红外光谱分析技术实用手册[M].北京:机械工业出版社, 2016.
 
【4】CHEN Z L, YIN W Q, LIU H T, et al. Review of monitoring petroleum-hydrocarbon contaminated soils with visible and near-infrared spectroscopy[J]. Spectroscopy and Spectral Analysis, 2017,37(6):1723-1727.
 
【5】杨晓丽,何琼.CARSiPLS用于烟煤中水分与挥发分的近红外光谱测定[J].理化检验-化学分册, 2017,53(6):636-640.
 
【6】MOSCETTI R, RAPONI F, FERRI S, et al. Real-time monitoring of organic apple (var. Gala) during hot-air drying using near-infrared spectroscopy[J]. Journal of Food Engineering, 2018,222:139-150.
 
【7】胡晓峰,林敏,刘辉军,等.应用近红外漫反射光谱法的猕猴桃品质无损检测[J].理化检验-化学分册, 2018,54(1):8-12.
 
【8】付建华,周新奇,刘辉军,等.基于稀疏主成分分析的近红外光谱法鉴别黄花梨的成熟度[J].理化检验-化学分册, 2017,53(2):146-151.
 
【9】LIU R H, SUN Q F, HU T, et al. Multi-parameters monitoring during traditional Chinese medicine concentration process with near infrared spectroscopy and chemometrics[J]. Spectrochimica Acta Part A:Molecular and Biomolecular Spectroscopy, 2018,192:75-81.
 
【10】ZHU C, GONG H L, DING X Q, et al. Study on an algorithm for near infrared spectrum multiclass identification and measurement based on feature hierarchical selection and sample fusion degree[J]. Spectroscopy and Spectral Analysis, 2017,37(4):1095-1099.
 
【11】JIANG C, QU H B. A comparative study of using in-line near-infrared spectra, ultraviolet spectra and fused spectra to monitor Panax notoginseng adsorption process[J]. Journal of Pharmaceutical and Biomedical Analysis, 2015,102:78-84.
 
【12】CATELANI T A, SANTOS J R, PÁSCOA R N M J, et al. Real-time monitoring of a coffee roasting process with near infrared spectroscopy using multivariate statistical analysis:A feasibility study[J]. Talanta, 2018,179:292-299.
 
【13】严衍禄,赵龙莲,韩东海,等.近红外光谱分析基础与应用[M].北京:中国轻工业出版社, 2005.
 
【14】严衍禄,陈斌,朱大洲.近红外光谱分析的原理、技术与应用[M].北京:中国轻工业出版社, 2013.
 
【15】程士超,蔺向阳,李燕,等.基于NIR光谱的固体推进剂代用料混合特性[J].固体火箭技术, 2016,39(3):373-377.
 
【16】程士超,蔺向阳,李燕,等.近红外光谱法快速测试改性双基推进剂组分的均匀性[J].含能材料, 2016,24(4):343-347.
 
【17】富明,肖淑华,刘伟,等.近红外光谱法快速测定端羟基聚丁二烯固体推进剂药浆中功能组分含量[J].北京化工大学学报(自然科学版), 2014,41(6):47-51.
 
【18】温晓燕,张皋,陈曼,等.近红外光谱测定PBX炸药中PCTFE含量的方法:2012105213185[P]. 2015.
 
【19】苏鹏飞,陈智群,周文静,等.近红外漫反射光谱法快速测定混合炸药中HMX的含量[J].火炸药学报, 2010,33(3):44-46.
 
相关信息
   标题 相关频次
 茶叶中3类主要组分的近红外光谱分析作为茶叶质量的快速评定方法
 2
 动植物油脂种类鉴别及其碘值测定的近红外光谱方法
 2
 共识径向基神经网络应用于近红外光谱法测定三七中总黄酮
 2
 基于稀疏主成分分析的近红外光谱法鉴别黄花梨的成熟度
 2
 金属离子为探针分光光度法测定半胱氨酸
 2
 近红外光谱法测定ABS树脂中氮含量
 2
 近红外光谱法测定端羟基环氧乙烷-四氢呋喃共聚醚的羟值
 2
 近红外光谱法测定烤烟中氯量
 2
 近红外光谱法分析格列齐特片
 2
 近红外光谱法分析盐酸雷尼替丁胶囊
 2
 近红外光谱法用于木薯燃料酒精品质分析
 2
 20CrMnTi钢钛、氮含量的计算机优化设计及其应用
 1
 AZ91D镁合金激光熔凝层的缺陷
 1
 CARSiPLS用于烟煤中水分与挥发分的近红外光谱测定
 1
 DN2-6井套管压力升高及油管接头粘扣原因分析
 1
 IC10单晶高温合金叶片荧光渗透检测的缺陷显示
 1
 Si-TiO2膜的制备及其光生阴极保护性能
 1
 Ti40钛合金的持久寿命及其预测方法
 1
 超高效液相色谱-串联质谱法测定白芷中51种禁用农药的残留量
 1
 低压水射流辅助激光刻蚀加工多晶硅工艺参数的优化
 1
 复烤片烟常规化学成分的傅里叶变换近红外光谱法的模型转移
 1
 航空煤油初馏点近红外光谱分析数学模型的预处理方法及波段优选
 1
 基于聚类分析的局部建模方法在茶叶近红外光谱分析中的应用
 1
 近红外反射光谱技术在动物营养研究中的应用进展
 1
 近红外光谱法测定卷烟纸中钙和镁
 1
 近红外光谱法测定卷烟纸中钠、钾、镁、钙和柠檬酸根的含量
 1
 近红外光谱法测定尼莫地平片剂尼莫地平含量的4个分析模型所给出的预测值的准确性的比较
 1
 近红外光谱法快速测定动植物油脂中游离脂肪酸含量
 1
 近红外光谱法快速测定鲜木薯中淀粉含量
 1
 近红外光谱法快速测定再造烟叶成品小片中主要化学成分
 1