Quantitative Analysis of Coal Quality by a Portable Laser Induced Breakdown Spectroscopy and Three Chemometrics Methods

IF 2.5 4区 综合性期刊 Q2 CHEMISTRY, MULTIDISCIPLINARY Applied Sciences-Basel Pub Date : 2023-09-06 DOI:10.3390/app131810049
Youquan Dou, Qingsong Wang, Sensheng Wang, Xi Shu, Minghui Ni, Yan Li
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Abstract

Laser-induced breakdown spectroscopy (LIBS) technology has the characteristics of small sample demand, simple sample preparation, simultaneous measurement of multiple elements and safety, which has great potential application in the rapid detection of coal quality. In this paper, 59 kinds of coal commonly used in Chinese power plants were tested by a lab-designed field-portable laser-induced breakdown spectrometer. The data set division methods and the quantitative analysis algorithm of ash content, volatile matter and calorific value of coal samples were carried out. The accuracy and prediction accuracy of three kinds of dataset partitioning methods, random selection (RS), Kennard–Stone (KS) and sample partitioning based on joint X-Y distances (SPXY), coupled with three quantitative algorithms, partial least squares regression (PLS), support vector machine regression (SVR) and random forest (RF), were compared and analyzed in this paper. The results show that the model featuring SPXY combined with RF has the best prediction performance. The R2 of ash content by the RF and SPXY method is 0.9843, the RMSEP of ash content is 1.3303 and the mean relative error (MRE) is 7.47%. The R2 of volatile matter is 0.9801, RMSEP is 0.7843 and MRE is 2.19%. The R2 of calorific value is 0.9844, RMSEP is 0.7324 and MRE is 2.27%. This study demonstrates that the field-portable LIBS device combining appropriate chemometrics algorithms has a wide application prospect in the rapid analysis of coal quality.
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便携式激光诱导击穿光谱法和三种化学计量学方法定量分析煤质
激光诱导击穿光谱(LIBS)技术具有样品需求量小、制样简单、多元素同时测量、安全性高等特点,在煤质快速检测中具有很大的应用潜力。本文利用实验室设计的现场便携式激光诱导击穿光谱仪对我国电厂常用的59种煤进行了测试。给出了煤样灰分、挥发物和热值的数据集划分方法和定量分析算法。本文对比分析了随机选择(RS)、Kennard-Stone (KS)和基于X-Y联合距离的样本划分(SPXY)三种数据集划分方法,以及偏最小二乘回归(PLS)、支持向量机回归(SVR)和随机森林(RF)三种定量算法的准确率和预测精度。结果表明,SPXY与RF相结合的模型具有较好的预测效果。RF - SPXY法测定的灰分含量R2为0.9843,RMSEP为1.3303,平均相对误差(MRE)为7.47%。挥发物的R2为0.9801,RMSEP为0.7843,MRE为2.19%。热值R2为0.9844,RMSEP为0.7324,MRE为2.27%。本研究表明,结合合适的化学计量学算法的现场便携式LIBS装置在煤质快速分析中具有广阔的应用前景。
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来源期刊
Applied Sciences-Basel
Applied Sciences-Basel CHEMISTRY, MULTIDISCIPLINARYMATERIALS SCIE-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
5.30
自引率
11.10%
发文量
10882
期刊介绍: Applied Sciences (ISSN 2076-3417) provides an advanced forum on all aspects of applied natural sciences. It publishes reviews, research papers and communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. There is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. Electronic files and software regarding the full details of the calculation or experimental procedure, if unable to be published in a normal way, can be deposited as supplementary electronic material.
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