Zhedong Zhang, Jiaxuan Li, Rui Gao, Yang Zhao, Yan Zhang, Lei Zhang, Zefu Ye, Zhujun Zhu, Peihua Zhang, Wangbao Yin and Suotang Jia
{"title":"利用近红外光谱和 XRF 技术,通过融合光谱和分类模型提高多类型煤炭质量预测的准确性","authors":"Zhedong Zhang, Jiaxuan Li, Rui Gao, Yang Zhao, Yan Zhang, Lei Zhang, Zefu Ye, Zhujun Zhu, Peihua Zhang, Wangbao Yin and Suotang Jia","doi":"10.1039/D4JA00193A","DOIUrl":null,"url":null,"abstract":"<p >The various analytical indices of coal are important criteria for evaluating the quality of commercial coal. Coals of different qualities exhibit different physical and chemical characteristics in their utilization. In the case of multiple coal types, the spectral characteristics of different coals may overlap within certain wavelength ranges, or be affected by interference or noise from other coal types, leading to low accuracy in coal quality prediction. Rapid and accurate coal quality testing is of great significance for improving industrial production efficiency and enhancing corporate profitability. This study employs near-infrared spectroscopy (NIRS) and X-ray fluorescence spectroscopy (XRF) combined techniques to explore the accuracy and feasibility of predicting coal quality based on coal type classification models. In terms of classification algorithms, coal samples are identified and classified using Support Vector Machine (SVM) based on fusion spectra. Regarding the modeling approach, Partial Least Squares (PLS) is utilized to establish both an overall model for all coal samples and individual classification models corresponding to each coal type. The results show that the precision, accuracy, recall, and <em>F</em><small><sub>1</sub></small> score of this classification algorithm reached 96.49%, 97.50%, 95.83%, and 96.41%, respectively. The determination coefficients (<em>R</em><small><sup>2</sup></small>) for the classification model's predictions of ash, volatile matter, and sulfur in coal quality indicators reached 0.992, which represents improvements of 1.85%, 5.31%, and 10.10% over the overall model. The root mean square errors of prediction (RMSE<small><sub>P</sub></small>) for these indicators were 0.062, 0.080, and 0.008, showing reductions of 0.24%, 0.68%, and 0.05% compared to the overall model. It indicates that the method of first identifying the coal type and then predicting coal quality indicators using the corresponding classification model can significantly improve the accuracy of coal quality detection in complex coal type scenarios.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2433-2442"},"PeriodicalIF":3.1000,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Enhancing multi-type coal quality prediction accuracy with fusion spectra and classification models using NIRS and XRF techniques\",\"authors\":\"Zhedong Zhang, Jiaxuan Li, Rui Gao, Yang Zhao, Yan Zhang, Lei Zhang, Zefu Ye, Zhujun Zhu, Peihua Zhang, Wangbao Yin and Suotang Jia\",\"doi\":\"10.1039/D4JA00193A\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The various analytical indices of coal are important criteria for evaluating the quality of commercial coal. Coals of different qualities exhibit different physical and chemical characteristics in their utilization. In the case of multiple coal types, the spectral characteristics of different coals may overlap within certain wavelength ranges, or be affected by interference or noise from other coal types, leading to low accuracy in coal quality prediction. Rapid and accurate coal quality testing is of great significance for improving industrial production efficiency and enhancing corporate profitability. This study employs near-infrared spectroscopy (NIRS) and X-ray fluorescence spectroscopy (XRF) combined techniques to explore the accuracy and feasibility of predicting coal quality based on coal type classification models. In terms of classification algorithms, coal samples are identified and classified using Support Vector Machine (SVM) based on fusion spectra. Regarding the modeling approach, Partial Least Squares (PLS) is utilized to establish both an overall model for all coal samples and individual classification models corresponding to each coal type. The results show that the precision, accuracy, recall, and <em>F</em><small><sub>1</sub></small> score of this classification algorithm reached 96.49%, 97.50%, 95.83%, and 96.41%, respectively. The determination coefficients (<em>R</em><small><sup>2</sup></small>) for the classification model's predictions of ash, volatile matter, and sulfur in coal quality indicators reached 0.992, which represents improvements of 1.85%, 5.31%, and 10.10% over the overall model. The root mean square errors of prediction (RMSE<small><sub>P</sub></small>) for these indicators were 0.062, 0.080, and 0.008, showing reductions of 0.24%, 0.68%, and 0.05% compared to the overall model. It indicates that the method of first identifying the coal type and then predicting coal quality indicators using the corresponding classification model can significantly improve the accuracy of coal quality detection in complex coal type scenarios.</p>\",\"PeriodicalId\":81,\"journal\":{\"name\":\"Journal of Analytical Atomic Spectrometry\",\"volume\":\" 10\",\"pages\":\" 2433-2442\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-08-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Analytical Atomic Spectrometry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2024/ja/d4ja00193a\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Analytical Atomic Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2024/ja/d4ja00193a","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
引用次数: 0
摘要
煤炭的各种分析指标是评价商品煤质量的重要标准。不同质量的煤在使用过程中会表现出不同的物理和化学特性。在煤炭种类较多的情况下,不同煤炭的光谱特征可能在某些波长范围内重叠,或受到其他煤炭种类的干扰或噪声影响,导致煤炭质量预测的准确性较低。快速准确的煤质检测对提高工业生产效率和企业盈利能力具有重要意义。本研究采用近红外光谱(NIRS)和 X 射线荧光光谱(XRF)相结合的技术,探索基于煤种分类模型预测煤质的准确性和可行性。在分类算法方面,使用基于融合光谱的支持向量机(SVM)对煤样进行识别和分类。在建模方法方面,利用偏最小二乘法(PLS)为所有煤炭样本建立整体模型,并为每个煤炭类型建立单独的分类模型。结果表明,该分类算法的精确度、准确度、召回率和 F1 分数分别达到 96.49%、97.50%、95.83% 和 96.41%。分类模型对煤质指标中灰分、挥发分和硫分的预测判定系数(R2)达到 0.992,比整体模型分别提高了 1.85%、5.31% 和 10.10%。这些指标的预测均方根误差(RMSEP)分别为 0.062、0.080 和 0.008,与总体模型相比分别降低了 0.24%、0.68% 和 0.05%。这表明,先识别煤种,再利用相应分类模型预测煤质指标的方法可以显著提高复杂煤种情况下的煤质检测精度。
Enhancing multi-type coal quality prediction accuracy with fusion spectra and classification models using NIRS and XRF techniques
The various analytical indices of coal are important criteria for evaluating the quality of commercial coal. Coals of different qualities exhibit different physical and chemical characteristics in their utilization. In the case of multiple coal types, the spectral characteristics of different coals may overlap within certain wavelength ranges, or be affected by interference or noise from other coal types, leading to low accuracy in coal quality prediction. Rapid and accurate coal quality testing is of great significance for improving industrial production efficiency and enhancing corporate profitability. This study employs near-infrared spectroscopy (NIRS) and X-ray fluorescence spectroscopy (XRF) combined techniques to explore the accuracy and feasibility of predicting coal quality based on coal type classification models. In terms of classification algorithms, coal samples are identified and classified using Support Vector Machine (SVM) based on fusion spectra. Regarding the modeling approach, Partial Least Squares (PLS) is utilized to establish both an overall model for all coal samples and individual classification models corresponding to each coal type. The results show that the precision, accuracy, recall, and F1 score of this classification algorithm reached 96.49%, 97.50%, 95.83%, and 96.41%, respectively. The determination coefficients (R2) for the classification model's predictions of ash, volatile matter, and sulfur in coal quality indicators reached 0.992, which represents improvements of 1.85%, 5.31%, and 10.10% over the overall model. The root mean square errors of prediction (RMSEP) for these indicators were 0.062, 0.080, and 0.008, showing reductions of 0.24%, 0.68%, and 0.05% compared to the overall model. It indicates that the method of first identifying the coal type and then predicting coal quality indicators using the corresponding classification model can significantly improve the accuracy of coal quality detection in complex coal type scenarios.