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基于串联激光诱导击穿光谱和激光烧蚀电感耦合等离子体质谱的煤炭鉴别分析。

Coal Discrimination Analysis Using Tandem Laser-Induced Breakdown Spectroscopy and Laser Ablation Inductively Coupled Plasma Time-of-Flight Mass Spectrometry.

机构信息

School of Electric Power, South China University of Technology, Guangzhou, Guangdong 510640, P. R. China.

Guangdong Province Engineering Research Center of High Efficient and Low Pollution, Guangzhou, Guangdong 510640, P. R. China.

出版信息

Anal Chem. 2020 May 19;92(10):7003-7010. doi: 10.1021/acs.analchem.0c00188. Epub 2020 Apr 22.

DOI:10.1021/acs.analchem.0c00188
PMID:32281365
Abstract

The contribution and impact of combined laser ablation inductively coupled plasma time-of-flight mass spectrometry (LA-ICP-TOF-MS) and laser-induced breakdown spectroscopy (LIBS) were evaluated for the discrimination analysis of different coal samples. This tandem approach allows simultaneous determination of major and minor elements (C, H, Si, Ca, Al, Mg, etc.) and trace elements (V, Ba, Pb, U, etc.) in the coal. The research focused on coal-classification strategies based on principle component analysis (PCA) combined with K-means clustering, partial least-squares discrimination analysis (PLS-DA), and support vector machine (SVM) for analytical performance. Correlation analyses performed from TOF mass and LIBS emission spectra from the coal samples showed that most major, minor, and trace element emissions had negative correlation with the volatile content. Suitable variables for the classification models were determined from these data. The individual TOF data, LIBS data, and combined data of TOF and LIBS as the inputs for different models were analyzed and compared. In all cases, the results obtained with the combined TOF and LIBS data were found to be superior to those obtained with the individual TOF or LIBS data. The nonlinear SVM model combined with TOF and LIBS data provided the best coal-classification performance, with a classification accuracy of up to 98%.

摘要

联合激光烧蚀电感耦合等离子体质谱(LA-ICP-TOF-MS)和激光诱导击穿光谱(LIBS)的贡献和影响用于不同煤样的判别分析。这种串联方法允许同时测定煤中的主要和次要元素(C、H、Si、Ca、Al、Mg 等)和微量元素(V、Ba、Pb、U 等)。研究集中在基于主成分分析(PCA)与 K-均值聚类、偏最小二乘判别分析(PLS-DA)和支持向量机(SVM)相结合的煤分类策略上,以评估分析性能。对来自煤样的 TOF 质谱和 LIBS 发射光谱进行相关分析表明,大多数主要、次要和微量元素的发射与挥发分含量呈负相关。从这些数据中确定了分类模型的合适变量。对不同模型的单独 TOF 数据、LIBS 数据以及 TOF 和 LIBS 的组合数据进行了分析和比较。在所有情况下,都发现与单独的 TOF 或 LIBS 数据相比,联合 TOF 和 LIBS 数据的结果更优。结合 TOF 和 LIBS 数据的非线性 SVM 模型提供了最佳的煤分类性能,分类准确率高达 98%。

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