高等学校化学学报 ›› 2013, Vol. 34 ›› Issue (5): 1127.doi: 10.7503/cjcu20120726

• 分析化学 • 上一篇    下一篇

能量色散X射线散射结合主成分分析对液体易制毒化学品的探测与鉴别分类

钟煜1,2, 李威2, 孙柏2, 余道洋2, 李民强2, 刘锦淮2   

  1. 1. 皖西学院仿生传感与检测技术省级实验室, 六安 237012;
    2. 中国科学院合肥智能机械研究所, 合肥 230031
  • 收稿日期:2012-08-06 出版日期:2013-05-10 发布日期:2013-05-10
  • 通讯作者: 钟 煜, 男, 博士, 副教授, 主要从事光化学与结构化学研究. E-mail: zhongyu@wxc.edu.cn E-mail:zhongyu@wxc.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 10635070)和安徽省教育厅高校自然科学基金(批准号: KJ2011A269)资助

Detection and Discrimination of Liquid Precursor Chemicals Using EDXRS and Principal Component Analysis

ZHONG Yu1,2, LI Wei2, SUN Bai2, YU Dao-Yang2, LI Min-Qiang2, LIU Jin-Huai2   

  1. 1. Anhui Provincial Laboratory of Biomimetic Sensor and Detecting Technology, West Anhui University, Lu'an 237012, China;
    2. Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031, China
  • Received:2012-08-06 Online:2013-05-10 Published:2013-05-10

摘要:

采用能量色散X射线散射(EDXRS)技术探测了8种液体易制毒化学品的X射线散射光谱, 结果显示液体易制毒物质具有各自特征的EDXRS散射图谱. 将液体易制毒化学品的EDXRS散射信息与主成分分析结合, 发现前2个主成分可以表达X射线散射光谱的主要信息, 在PC1~PC2得分分布图上可将液体易制毒化学品进行分类. 研究结果表明, EDXRS光谱技术结合主成分分析法可以实现探测、 鉴别分类液体易制毒化学品, 为隐藏液体易制毒化学品的监管控制提供一个可行的鉴别方法.

关键词: 能量色散X射线散射, 主成分分析, 液体易制毒化学品, 探测, 鉴别分类

Abstract:

The scattering spectra of eight kinds of liquid precursor chemicals have been obtained using energy dispersive X-ray scattering(EDXRS) technology. The results show that the EDXRS spectra of liquid precursor chemicals are unique under the same probe conditions. With the combination of EDXRS and principal component analysis(PCA), it is shown that the main information of X-ray scattering spectra can be expressed by first and second principal component extracted by PCA, and a satisfactory clustering effect for the classification and discrimination of liquid precursor chemicals is observed in the two-dimensional scores plot. The research de-monstrates that liquid precursor chemicals can be detected and classified by EDXRS and PCA, which shows the potential application to monitor and control of concealed liquid precursor chemicals.

Key words: Energy dispersive X-ray scattering(EDXRS), Principal component analysis(PCA), Liquid precursor chemicals, Detection, Discrimination

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