{"title":"通过分解高岭土在 OH 拉伸振动区域的红外光谱确定其结构异质性程度","authors":"B. A. Sakharov, D. M. Korshunov, V. A. Drits","doi":"10.1134/S0024490224700731","DOIUrl":null,"url":null,"abstract":"<p>A new approach is proposed to assess the degree of defect density of kaolinite minerals using their IR spectra in the OH-stretching vibration region. Three linear equations were obtained that relate the ratios of spectroscopic parameters to each other: <span>\\(\\frac{{A\\left( {{{\\nu }_{3}}} \\right)}}{{A\\left( {{{\\nu }_{3}}} \\right) + A\\left( {{{\\nu }_{2}}} \\right)}} = - {\\kern 1pt} 0.2177\\frac{{FWHM\\left( {{{\\nu }_{1}}} \\right)}}{{FWHM\\left( {{{\\nu }_{4}}} \\right)}}\\)</span> + 1.247; <span>\\(\\frac{{FWHM\\left( {{{\\nu }_{3}}} \\right)}}{{FWHM\\left( {{{\\nu }_{2}}} \\right)}} = - 0.5804\\frac{{FWHM\\left( {{{\\nu }_{1}}} \\right)}}{{FWHM\\left( {{{\\nu }_{4}}} \\right)}}\\)</span> + 2.8696; <span>\\(\\frac{{FWHM\\left( {{{\\nu }_{3}}} \\right)}}{{FWHM\\left( {{{\\nu }_{2}}} \\right)}} = 2.636\\frac{{A\\left( {{{\\nu }_{3}}} \\right)}}{{A\\left( {{{\\nu }_{3}}} \\right) + A\\left( {{{\\nu }_{2}}} \\right)}} - 0.4437\\)</span>, where: <i>FWHM</i>(ν<sub><i>i</i></sub>) is a full width at half maximum and <i>A</i>(ν<sub><i>i</i></sub>) is the integral intensity of Lorentzian absorption bands at ν<sub>1</sub> ~ 3697 cm<sup>–1</sup>, ν<sub>2</sub> ~ 3670 cm<sup>–1</sup>, ν<sub>3</sub> ~ 3652 cm<sup>–1</sup> and ν<sub>4</sub> ~ 3620 cm<sup>–1</sup>, respectively. These equations made it possible to establish criteria for decomposing the IR spectra into individual bands (ν<sub><i>i</i></sub>) and determining the optimal values for the <i>FWHM</i>(ν<sub><i>i</i></sub>) and <i>A</i>(ν<sub><i>i</i></sub>) parameters used for calculating the contents of high-ordered kaolinite (HOK) and low-ordered kaolinite (LOK) phases in natural samples with an accuracy of ~5%.</p>","PeriodicalId":18150,"journal":{"name":"Lithology and Mineral Resources","volume":null,"pages":null},"PeriodicalIF":0.7000,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Determination of the Degree of Structural Heterogeneity of Kaolinites by the Decomposition of Their IR Spectra in the OH-Stretching Vibration Region\",\"authors\":\"B. A. Sakharov, D. M. Korshunov, V. A. Drits\",\"doi\":\"10.1134/S0024490224700731\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>A new approach is proposed to assess the degree of defect density of kaolinite minerals using their IR spectra in the OH-stretching vibration region. Three linear equations were obtained that relate the ratios of spectroscopic parameters to each other: <span>\\\\(\\\\frac{{A\\\\left( {{{\\\\nu }_{3}}} \\\\right)}}{{A\\\\left( {{{\\\\nu }_{3}}} \\\\right) + A\\\\left( {{{\\\\nu }_{2}}} \\\\right)}} = - {\\\\kern 1pt} 0.2177\\\\frac{{FWHM\\\\left( {{{\\\\nu }_{1}}} \\\\right)}}{{FWHM\\\\left( {{{\\\\nu }_{4}}} \\\\right)}}\\\\)</span> + 1.247; <span>\\\\(\\\\frac{{FWHM\\\\left( {{{\\\\nu }_{3}}} \\\\right)}}{{FWHM\\\\left( {{{\\\\nu }_{2}}} \\\\right)}} = - 0.5804\\\\frac{{FWHM\\\\left( {{{\\\\nu }_{1}}} \\\\right)}}{{FWHM\\\\left( {{{\\\\nu }_{4}}} \\\\right)}}\\\\)</span> + 2.8696; <span>\\\\(\\\\frac{{FWHM\\\\left( {{{\\\\nu }_{3}}} \\\\right)}}{{FWHM\\\\left( {{{\\\\nu }_{2}}} \\\\right)}} = 2.636\\\\frac{{A\\\\left( {{{\\\\nu }_{3}}} \\\\right)}}{{A\\\\left( {{{\\\\nu }_{3}}} \\\\right) + A\\\\left( {{{\\\\nu }_{2}}} \\\\right)}} - 0.4437\\\\)</span>, where: <i>FWHM</i>(ν<sub><i>i</i></sub>) is a full width at half maximum and <i>A</i>(ν<sub><i>i</i></sub>) is the integral intensity of Lorentzian absorption bands at ν<sub>1</sub> ~ 3697 cm<sup>–1</sup>, ν<sub>2</sub> ~ 3670 cm<sup>–1</sup>, ν<sub>3</sub> ~ 3652 cm<sup>–1</sup> and ν<sub>4</sub> ~ 3620 cm<sup>–1</sup>, respectively. These equations made it possible to establish criteria for decomposing the IR spectra into individual bands (ν<sub><i>i</i></sub>) and determining the optimal values for the <i>FWHM</i>(ν<sub><i>i</i></sub>) and <i>A</i>(ν<sub><i>i</i></sub>) parameters used for calculating the contents of high-ordered kaolinite (HOK) and low-ordered kaolinite (LOK) phases in natural samples with an accuracy of ~5%.</p>\",\"PeriodicalId\":18150,\"journal\":{\"name\":\"Lithology and Mineral Resources\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.7000,\"publicationDate\":\"2024-11-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Lithology and Mineral Resources\",\"FirstCategoryId\":\"89\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0024490224700731\",\"RegionNum\":4,\"RegionCategory\":\"地球科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"GEOCHEMISTRY & GEOPHYSICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Lithology and Mineral Resources","FirstCategoryId":"89","ListUrlMain":"https://link.springer.com/article/10.1134/S0024490224700731","RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"GEOCHEMISTRY & GEOPHYSICS","Score":null,"Total":0}
Determination of the Degree of Structural Heterogeneity of Kaolinites by the Decomposition of Their IR Spectra in the OH-Stretching Vibration Region
A new approach is proposed to assess the degree of defect density of kaolinite minerals using their IR spectra in the OH-stretching vibration region. Three linear equations were obtained that relate the ratios of spectroscopic parameters to each other: \(\frac{{A\left( {{{\nu }_{3}}} \right)}}{{A\left( {{{\nu }_{3}}} \right) + A\left( {{{\nu }_{2}}} \right)}} = - {\kern 1pt} 0.2177\frac{{FWHM\left( {{{\nu }_{1}}} \right)}}{{FWHM\left( {{{\nu }_{4}}} \right)}}\) + 1.247; \(\frac{{FWHM\left( {{{\nu }_{3}}} \right)}}{{FWHM\left( {{{\nu }_{2}}} \right)}} = - 0.5804\frac{{FWHM\left( {{{\nu }_{1}}} \right)}}{{FWHM\left( {{{\nu }_{4}}} \right)}}\) + 2.8696; \(\frac{{FWHM\left( {{{\nu }_{3}}} \right)}}{{FWHM\left( {{{\nu }_{2}}} \right)}} = 2.636\frac{{A\left( {{{\nu }_{3}}} \right)}}{{A\left( {{{\nu }_{3}}} \right) + A\left( {{{\nu }_{2}}} \right)}} - 0.4437\), where: FWHM(νi) is a full width at half maximum and A(νi) is the integral intensity of Lorentzian absorption bands at ν1 ~ 3697 cm–1, ν2 ~ 3670 cm–1, ν3 ~ 3652 cm–1 and ν4 ~ 3620 cm–1, respectively. These equations made it possible to establish criteria for decomposing the IR spectra into individual bands (νi) and determining the optimal values for the FWHM(νi) and A(νi) parameters used for calculating the contents of high-ordered kaolinite (HOK) and low-ordered kaolinite (LOK) phases in natural samples with an accuracy of ~5%.
期刊介绍:
Lithology and Mineral Resources is an international peer reviewed journal that publishes articles on a wide range of problems related to the formation of sedimentary rocks and ores. Special attention is given to comparison of ancient sedimentary rock and ore formation with present-day processes. The major part of the journal is devoted to comparative analysis of sedimentary processes on the continents and in oceans, as well as the genetic aspects of the formation of sedimentary and hydrothermal–sedimentary mineral resources. The journal welcomes manuscripts from all countries in the English or Russian language.