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

IF 0.7 4区 地球科学 Q4 GEOCHEMISTRY & GEOPHYSICS Lithology and Mineral Resources Pub Date : 2024-11-04 DOI:10.1134/S0024490224700731
B. A. Sakharov, D. M. Korshunov, V. A. Drits
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引用次数: 0

摘要

本文提出了一种新方法,利用高岭石矿物在羟基伸缩振动区域的红外光谱来评估其缺陷密度程度。得到了三个线性方程,它们将光谱参数的比率相互联系起来:\(\frac{{A\left( {{{\nu }_{3}}} \right)}}{{A\left( {{{\nu }_{3}}} \right) + A\left( {{{\nu }_{2}}} \right)}} = - {\kern 1pt} 0.2177\frac{{FWHM\left( {{\nu }_{1}} \right)}}{{FWHM\left( {{\nu }_{4}}} \right)}}\)+ 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}} } }{{FWHM\left( {{{\nu }_{2}} } } = 2.636\frac{{A\left( {{{\nu }_{3}}} \right)}}{{A\left( {{{\nu }_{3}}} \right) + A\left( {{{\nu }_{2}}} \right)}}}- 0.4437\), where:FWHM(νi) 是半最大全宽,A(νi) 是洛伦兹吸收带的积分强度,分别位于 ν1 ~ 3697 cm-1、ν2 ~ 3670 cm-1、ν3 ~ 3652 cm-1 和 ν4 ~ 3620 cm-1。通过这些方程,可以建立将红外光谱分解为单个波段(νi)的标准,并确定 FWHM(νi)和 A(νi)参数的最佳值,用于计算天然样品中高序高岭石(HOK)和低序高岭石(LOK)相的含量,精确度约为 5%。
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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: FWHMi) is a full width at half maximum and Ai) 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 FWHMi) and Ai) 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%.

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来源期刊
Lithology and Mineral Resources
Lithology and Mineral Resources 地学-地球化学与地球物理
CiteScore
1.30
自引率
37.50%
发文量
29
审稿时长
>12 weeks
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.
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