{"title":"利用 WD-XRF 结合化学计量学分析将硅多空位卫星峰用于火成岩中硅酸盐矿物分析的新应用","authors":"Ashok Kumar Maurya","doi":"10.1039/D4JA00199K","DOIUrl":null,"url":null,"abstract":"<p >X-ray spectra are pivotal for understanding chemical bonding and atomic interactions in materials. Particularly, valence-to-core (VtC) electronic transitions and satellite peaks within X-ray spectra provide insights into valence states and chemical environments. This study focuses on the multi-vacancy satellite peaks, Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small>, and their application in analyzing silicate minerals in igneous rocks. A wavelength dispersive X-ray fluorescence (WD-XRF) spectrometer, commonly employed for chemical analysis of geological samples, was utilized in this study. The Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small> peaks were selected due to their VtC transitions and multi-vacancy origin, offering enhanced sensitivity to the chemical environment. We examined 41 certified reference materials (CRMs) of igneous rocks, demonstrating the capability of these satellite peaks to reveal detailed chemical and structural information. A strong correlation was found between the chemical composition of silicate minerals and the intensities along with chemical shifts of the Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small> peaks. We developed a regression model to predict mineral concentrations, validating the method with CRMs. The results suggest that the spectral region of the Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small> peaks serves as a distinctive fingerprint for identifying silicate minerals in igneous rocks.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2543-2550"},"PeriodicalIF":3.1000,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Novel application of silicon multi-vacancy satellite peaks for silicate minerals analysis in igneous rocks using WD-XRF coupled with chemometrics analysis†\",\"authors\":\"Ashok Kumar Maurya\",\"doi\":\"10.1039/D4JA00199K\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >X-ray spectra are pivotal for understanding chemical bonding and atomic interactions in materials. Particularly, valence-to-core (VtC) electronic transitions and satellite peaks within X-ray spectra provide insights into valence states and chemical environments. This study focuses on the multi-vacancy satellite peaks, Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small>, and their application in analyzing silicate minerals in igneous rocks. A wavelength dispersive X-ray fluorescence (WD-XRF) spectrometer, commonly employed for chemical analysis of geological samples, was utilized in this study. The Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small> peaks were selected due to their VtC transitions and multi-vacancy origin, offering enhanced sensitivity to the chemical environment. We examined 41 certified reference materials (CRMs) of igneous rocks, demonstrating the capability of these satellite peaks to reveal detailed chemical and structural information. A strong correlation was found between the chemical composition of silicate minerals and the intensities along with chemical shifts of the Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small> peaks. We developed a regression model to predict mineral concentrations, validating the method with CRMs. The results suggest that the spectral region of the Si Kβ<small><sup>III</sup></small> and Kβ<small><sup>IV</sup></small> peaks serves as a distinctive fingerprint for identifying silicate minerals in igneous rocks.</p>\",\"PeriodicalId\":81,\"journal\":{\"name\":\"Journal of Analytical Atomic Spectrometry\",\"volume\":\" 10\",\"pages\":\" 2543-2550\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-08-30\",\"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/d4ja00199k\",\"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/d4ja00199k","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
X 射线光谱对于了解材料中的化学键和原子相互作用至关重要。特别是价核(VtC)电子跃迁和 X 射线光谱中的卫星峰,可帮助人们深入了解价态和化学环境。本研究的重点是多空位卫星峰(Si KβIII 和 KβIV)及其在火成岩中硅酸盐矿物分析中的应用。本研究采用了波长色散 X 射线荧光 (WD-XRF) 光谱仪,该仪器通常用于地质样本的化学分析。之所以选择硅 KβIII 和 KβIV 峰,是因为它们具有 VtC 转变和多空位起源,可提高对化学环境的灵敏度。我们研究了 41 种火成岩的认证参考材料 (CRM),证明了这些卫星峰揭示详细化学和结构信息的能力。我们发现硅酸盐矿物的化学成分与硅 KβIII 和 KβIV 峰的强度和化学位移之间存在很强的相关性。我们建立了一个回归模型来预测矿物浓度,并用有证标准物质验证了该方法。结果表明,硅 KβIII和KβIV峰的光谱区是识别火成岩中硅酸盐矿物的独特指纹。
Novel application of silicon multi-vacancy satellite peaks for silicate minerals analysis in igneous rocks using WD-XRF coupled with chemometrics analysis†
X-ray spectra are pivotal for understanding chemical bonding and atomic interactions in materials. Particularly, valence-to-core (VtC) electronic transitions and satellite peaks within X-ray spectra provide insights into valence states and chemical environments. This study focuses on the multi-vacancy satellite peaks, Si KβIII and KβIV, and their application in analyzing silicate minerals in igneous rocks. A wavelength dispersive X-ray fluorescence (WD-XRF) spectrometer, commonly employed for chemical analysis of geological samples, was utilized in this study. The Si KβIII and KβIV peaks were selected due to their VtC transitions and multi-vacancy origin, offering enhanced sensitivity to the chemical environment. We examined 41 certified reference materials (CRMs) of igneous rocks, demonstrating the capability of these satellite peaks to reveal detailed chemical and structural information. A strong correlation was found between the chemical composition of silicate minerals and the intensities along with chemical shifts of the Si KβIII and KβIV peaks. We developed a regression model to predict mineral concentrations, validating the method with CRMs. The results suggest that the spectral region of the Si KβIII and KβIV peaks serves as a distinctive fingerprint for identifying silicate minerals in igneous rocks.