Yanli LIU , Maogang LI , Zhiguo AN , Tianlong ZHANG , Jie LIU , Yuanyuan LIANG , Hongsheng TANG , Junjie GONG , Dong YAN , Zenghui YOU , Hua LI
{"title":"基于激光诱导击穿光谱与机器学习算法的熔融锌中三种元素(铝、镁和铁)的快速定量分析","authors":"Yanli LIU , Maogang LI , Zhiguo AN , Tianlong ZHANG , Jie LIU , Yuanyuan LIANG , Hongsheng TANG , Junjie GONG , Dong YAN , Zenghui YOU , Hua LI","doi":"10.1016/j.cjac.2024.100450","DOIUrl":null,"url":null,"abstract":"<div><div>Hot-dip galvanizing represents one of the most cost-effective methods for the prevention of metal corrosion, and is therefore employed extensively across a range of fields. Carrying out the research and development of technology and devices for quantitative analysis of chemical elements in hot-dip galvanising process can provide theoretical basis and technical support for the efficiency of hot-dip galvanising process and reduction of energy consumption. A machine learning-assisted LIBS combined with a programmable logic controller (PLC) for simultaneous on-line/in-site monitoring of multiple elements in hot-dip galvanising solution (molten zinc) was developed in the current study. The LIBS spectral data of the on-site hot-dip galvanising solution was collected under optimised experimental conditions. In order to further reduce the influence of experimental noise on the analysis performance, the on-site LIBS spectral data were preprocessed and anomalous spectral data were screened based on normalisation and principal component analysis-Mahalanobis distance (PCA-MD). On the basis of the optimised data, component prediction models for three key elements of on-site hot-dip galvanising solution were constructed. The storage and re-call of the model was achieved based on Python combined with LabVIEW, thus real-time prediction of the on-site component content of hot-dip galvanising solution was achieved. The results show that the random forest model presents the best prediction results, in which the <em>R</em><sup>2</sup> is 0.9978 and the RMSE is 0.0013% for Al, the <em>R</em><sup>2</sup> is 0.9984 and the RMSE is 0.0011% for Mg, and the <em>R</em><sup>2</sup> is 0.9932 and the RMSE is 0.0001% for Fe. From the on-site analysis results of the constructed model, its MRE of Al, Mg and Fe is 0.0098, 0.0236, and 0.2102, respectively. In summary, the <em>in-situ</em>/on-line analysis system of hot-dip galvanising solution combined with machine learning constructed in this study shows excellent performance, which can satisfy the needs of hot-dip galvanising solution production site. This study is expected to provide theoretical basis and technical reference for quality control and process optimisation in other production sites in the metallurgical field.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 10","pages":"Article 100450"},"PeriodicalIF":1.2000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid quantitative analysis of three elements (Al, Mg and Fe) in molten zinc based on laser-induced breakdown spectroscopy combined with machine learning algorithm\",\"authors\":\"Yanli LIU , Maogang LI , Zhiguo AN , Tianlong ZHANG , Jie LIU , Yuanyuan LIANG , Hongsheng TANG , Junjie GONG , Dong YAN , Zenghui YOU , Hua LI\",\"doi\":\"10.1016/j.cjac.2024.100450\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Hot-dip galvanizing represents one of the most cost-effective methods for the prevention of metal corrosion, and is therefore employed extensively across a range of fields. Carrying out the research and development of technology and devices for quantitative analysis of chemical elements in hot-dip galvanising process can provide theoretical basis and technical support for the efficiency of hot-dip galvanising process and reduction of energy consumption. A machine learning-assisted LIBS combined with a programmable logic controller (PLC) for simultaneous on-line/in-site monitoring of multiple elements in hot-dip galvanising solution (molten zinc) was developed in the current study. The LIBS spectral data of the on-site hot-dip galvanising solution was collected under optimised experimental conditions. In order to further reduce the influence of experimental noise on the analysis performance, the on-site LIBS spectral data were preprocessed and anomalous spectral data were screened based on normalisation and principal component analysis-Mahalanobis distance (PCA-MD). On the basis of the optimised data, component prediction models for three key elements of on-site hot-dip galvanising solution were constructed. The storage and re-call of the model was achieved based on Python combined with LabVIEW, thus real-time prediction of the on-site component content of hot-dip galvanising solution was achieved. The results show that the random forest model presents the best prediction results, in which the <em>R</em><sup>2</sup> is 0.9978 and the RMSE is 0.0013% for Al, the <em>R</em><sup>2</sup> is 0.9984 and the RMSE is 0.0011% for Mg, and the <em>R</em><sup>2</sup> is 0.9932 and the RMSE is 0.0001% for Fe. From the on-site analysis results of the constructed model, its MRE of Al, Mg and Fe is 0.0098, 0.0236, and 0.2102, respectively. In summary, the <em>in-situ</em>/on-line analysis system of hot-dip galvanising solution combined with machine learning constructed in this study shows excellent performance, which can satisfy the needs of hot-dip galvanising solution production site. This study is expected to provide theoretical basis and technical reference for quality control and process optimisation in other production sites in the metallurgical field.</div></div>\",\"PeriodicalId\":277,\"journal\":{\"name\":\"Chinese Journal of Analytical Chemistry\",\"volume\":\"52 10\",\"pages\":\"Article 100450\"},\"PeriodicalIF\":1.2000,\"publicationDate\":\"2024-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chinese Journal of Analytical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1872204024000951\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chinese Journal of Analytical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1872204024000951","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Rapid quantitative analysis of three elements (Al, Mg and Fe) in molten zinc based on laser-induced breakdown spectroscopy combined with machine learning algorithm
Hot-dip galvanizing represents one of the most cost-effective methods for the prevention of metal corrosion, and is therefore employed extensively across a range of fields. Carrying out the research and development of technology and devices for quantitative analysis of chemical elements in hot-dip galvanising process can provide theoretical basis and technical support for the efficiency of hot-dip galvanising process and reduction of energy consumption. A machine learning-assisted LIBS combined with a programmable logic controller (PLC) for simultaneous on-line/in-site monitoring of multiple elements in hot-dip galvanising solution (molten zinc) was developed in the current study. The LIBS spectral data of the on-site hot-dip galvanising solution was collected under optimised experimental conditions. In order to further reduce the influence of experimental noise on the analysis performance, the on-site LIBS spectral data were preprocessed and anomalous spectral data were screened based on normalisation and principal component analysis-Mahalanobis distance (PCA-MD). On the basis of the optimised data, component prediction models for three key elements of on-site hot-dip galvanising solution were constructed. The storage and re-call of the model was achieved based on Python combined with LabVIEW, thus real-time prediction of the on-site component content of hot-dip galvanising solution was achieved. The results show that the random forest model presents the best prediction results, in which the R2 is 0.9978 and the RMSE is 0.0013% for Al, the R2 is 0.9984 and the RMSE is 0.0011% for Mg, and the R2 is 0.9932 and the RMSE is 0.0001% for Fe. From the on-site analysis results of the constructed model, its MRE of Al, Mg and Fe is 0.0098, 0.0236, and 0.2102, respectively. In summary, the in-situ/on-line analysis system of hot-dip galvanising solution combined with machine learning constructed in this study shows excellent performance, which can satisfy the needs of hot-dip galvanising solution production site. This study is expected to provide theoretical basis and technical reference for quality control and process optimisation in other production sites in the metallurgical field.
期刊介绍:
Chinese Journal of Analytical Chemistry(CJAC) is an academic journal of analytical chemistry established in 1972 and sponsored by the Chinese Chemical Society and Changchun Institute of Applied Chemistry, Chinese Academy of Sciences. Its objectives are to report the original scientific research achievements and review the recent development of analytical chemistry in all areas. The journal sets up 5 columns including Research Papers, Research Notes, Experimental Technique and Instrument, Review and Progress and Summary Accounts. The journal published monthly in Chinese language. A detailed abstract, keywords and the titles of figures and tables are provided in English, except column of Summary Accounts. Prof. Wang Erkang, an outstanding analytical chemist, academician of Chinese Academy of Sciences & Third World Academy of Sciences, holds the post of the Editor-in-chief.