Rapid quantitative analysis of coal composition using laser-induced breakdown spectroscopy coupled with random forest algorithm

IF 1.8 4区 化学 Q3 CHEMISTRY, ANALYTICAL Analytical Sciences Pub Date : 2024-06-05 DOI:10.1007/s44211-024-00610-x
Hongkun Du, Shaoying Ke, Wei Zhang, Dongfeng Qi, Tengfei Sun
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Abstract

Coal is the primary energy source in China, widely used in energy production, industrial processes, and chemical engineering. Due to the complexity and diversity of coal quality, there is an urgent need for new technologies to achieve rapid and accurate detection and analysis of coal, aiming to improve coal resource utilization and reduce pollutant emissions. This study proposes a rapid quantitative analysis of coal using laser-induced breakdown spectroscopy combined with the random forest algorithm. Firstly, a Q-switched Nd: YAG laser at 1064 nm was employed to ablate coal samples, generating plasma, and spectral data were collected using a spectrometer. Secondly, the study explores the impact of different parameters in the preprocessing method (wavelet transform) on the predictive performance of the random forest model. It identifies elements related to coal ash content and calorific value along with their spectral information. Subsequently, to further validate the predictive performance of the model, a comparison is made with models established using support vector machine, artificial neural network, and partial least squares. Finally, under optimal parameters for spectral information preprocessing (wavelet transform with Db4 as the base function and 3 decomposition levels), a model combining wavelet transform with Random Forest is established to predict and analyze the ash content and calorific value of coal. The results demonstrate that the Wavelet Transform-Random Forest model exhibits excellent predictive performance (coal ash content: R2 = 0.9470, RMSECV = 4.8594, RMSEP = 4.8450; coal calorific value: R2 = 0.9485, RMSECV = 1.5996, RMSEP = 1.5949). Therefore, laser-induced breakdown spectroscopy combined with the random forest algorithm is an effective method for rapid and accurate detection and analysis of coal. The predicted coal composition values show high accuracy, providing insights and methods for coal composition monitoring and analysis.

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利用激光诱导击穿光谱和随机森林算法快速定量分析煤的成分。
煤炭是中国的主要能源,广泛应用于能源生产、工业过程和化学工程。由于煤炭质量的复杂性和多样性,迫切需要新技术实现对煤炭的快速、准确检测和分析,以提高煤炭资源利用率,减少污染物排放。本研究提出了一种利用激光诱导击穿光谱结合随机森林算法对煤炭进行快速定量分析的方法。首先,采用波长为 1064 nm 的 Q 开关 Nd: YAG 激光烧蚀煤样,产生等离子体,并使用光谱仪采集光谱数据。其次,研究探讨了预处理方法(小波变换)中不同参数对随机森林模型预测性能的影响。研究确定了与煤灰含量和热值相关的元素及其光谱信息。随后,为了进一步验证该模型的预测性能,将其与使用支持向量机、人工神经网络和偏最小二乘法建立的模型进行了比较。最后,在光谱信息预处理的最佳参数(以 Db4 为基础函数的小波变换和 3 个分解级)下,建立了一个小波变换与随机森林相结合的模型,用于预测和分析煤的灰分和热值。结果表明,小波变换-随机森林模型具有出色的预测性能(煤的灰分含量:R2 = 0.9470,RMSECV = 4.8594,RMSEP = 4.8450;煤炭热值:R2 = 0.9485,RMSECV = 1.5996,RMSEP = 1.5949)。因此,激光诱导击穿光谱法与随机森林算法相结合,是一种快速、准确检测和分析煤炭的有效方法。预测的煤成分值显示出很高的准确性,为煤成分监测和分析提供了启示和方法。
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来源期刊
Analytical Sciences
Analytical Sciences 化学-分析化学
CiteScore
2.90
自引率
18.80%
发文量
232
审稿时长
1 months
期刊介绍: Analytical Sciences is an international journal published monthly by The Japan Society for Analytical Chemistry. The journal publishes papers on all aspects of the theory and practice of analytical sciences, including fundamental and applied, inorganic and organic, wet chemical and instrumental methods. This publication is supported in part by the Grant-in-Aid for Publication of Scientific Research Result of the Japanese Ministry of Education, Culture, Sports, Science and Technology.
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