{"title":"基于激光诱导等离子体原子和分子发射的元素和同位素特征的铁矿石无监督分类","authors":"Sung-Uk Choi , Sol-Chan Han , Jong-Il Yun","doi":"10.1016/j.aca.2025.344191","DOIUrl":null,"url":null,"abstract":"<div><h3>Background</h3><div>Iron ore classification by grade and origin is critical for quality assurance in steel manufacturing. However, traditional analytical methods can be time-consuming and may not provide comprehensive information for accurate classification.</div></div><div><h3>Results</h3><div>The present study introduces a novel classification approach utilizing laser-induced breakdown spectroscopy (LIBS) to simultaneously discriminate iron ore grades (fine, lump, and concentrate) and origins (Australia, Brazil, and South Africa), without necessitating prior knowledge of the samples. A key aspect of this approach is to leverage multiple spectral features from laser-induced plasma: (i) atomic lines representing elemental composition, and (ii) molecular bands reflecting isotopic signatures. Based on this comprehensive spectral data, principal component analysis (PCA) was employed to visualize the correlations among the datasets, thereby illustrating how elemental composition and isotopic abundance correlate with grades and origins. Subsequently, the <em>k</em>-means clustering algorithm was utilized as an unsupervised classifier, eliminating the need for previously labeled training data. Consequently, the present approach could achieve an accuracy exceeding 94 % in determining the grade and origin of ores.</div></div><div><h3>Significance</h3><div>This study successfully established the rapid and versatile classification method for unknown iron ores, offering significant benefits for various industrial applications.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1364 ","pages":"Article 344191"},"PeriodicalIF":5.7000,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Unsupervised classification of iron ores based on elemental and isotopic signatures from atomic and molecular emissions of laser-induced plasma\",\"authors\":\"Sung-Uk Choi , Sol-Chan Han , Jong-Il Yun\",\"doi\":\"10.1016/j.aca.2025.344191\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Background</h3><div>Iron ore classification by grade and origin is critical for quality assurance in steel manufacturing. However, traditional analytical methods can be time-consuming and may not provide comprehensive information for accurate classification.</div></div><div><h3>Results</h3><div>The present study introduces a novel classification approach utilizing laser-induced breakdown spectroscopy (LIBS) to simultaneously discriminate iron ore grades (fine, lump, and concentrate) and origins (Australia, Brazil, and South Africa), without necessitating prior knowledge of the samples. A key aspect of this approach is to leverage multiple spectral features from laser-induced plasma: (i) atomic lines representing elemental composition, and (ii) molecular bands reflecting isotopic signatures. Based on this comprehensive spectral data, principal component analysis (PCA) was employed to visualize the correlations among the datasets, thereby illustrating how elemental composition and isotopic abundance correlate with grades and origins. Subsequently, the <em>k</em>-means clustering algorithm was utilized as an unsupervised classifier, eliminating the need for previously labeled training data. Consequently, the present approach could achieve an accuracy exceeding 94 % in determining the grade and origin of ores.</div></div><div><h3>Significance</h3><div>This study successfully established the rapid and versatile classification method for unknown iron ores, offering significant benefits for various industrial applications.</div></div>\",\"PeriodicalId\":240,\"journal\":{\"name\":\"Analytica Chimica Acta\",\"volume\":\"1364 \",\"pages\":\"Article 344191\"},\"PeriodicalIF\":5.7000,\"publicationDate\":\"2025-05-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytica Chimica Acta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0003267025005859\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytica Chimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0003267025005859","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Unsupervised classification of iron ores based on elemental and isotopic signatures from atomic and molecular emissions of laser-induced plasma
Background
Iron ore classification by grade and origin is critical for quality assurance in steel manufacturing. However, traditional analytical methods can be time-consuming and may not provide comprehensive information for accurate classification.
Results
The present study introduces a novel classification approach utilizing laser-induced breakdown spectroscopy (LIBS) to simultaneously discriminate iron ore grades (fine, lump, and concentrate) and origins (Australia, Brazil, and South Africa), without necessitating prior knowledge of the samples. A key aspect of this approach is to leverage multiple spectral features from laser-induced plasma: (i) atomic lines representing elemental composition, and (ii) molecular bands reflecting isotopic signatures. Based on this comprehensive spectral data, principal component analysis (PCA) was employed to visualize the correlations among the datasets, thereby illustrating how elemental composition and isotopic abundance correlate with grades and origins. Subsequently, the k-means clustering algorithm was utilized as an unsupervised classifier, eliminating the need for previously labeled training data. Consequently, the present approach could achieve an accuracy exceeding 94 % in determining the grade and origin of ores.
Significance
This study successfully established the rapid and versatile classification method for unknown iron ores, offering significant benefits for various industrial applications.
期刊介绍:
Analytica Chimica Acta has an open access mirror journal Analytica Chimica Acta: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Analytica Chimica Acta provides a forum for the rapid publication of original research, and critical, comprehensive reviews dealing with all aspects of fundamental and applied modern analytical chemistry. The journal welcomes the submission of research papers which report studies concerning the development of new and significant analytical methodologies. In determining the suitability of submitted articles for publication, particular scrutiny will be placed on the degree of novelty and impact of the research and the extent to which it adds to the existing body of knowledge in analytical chemistry.