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Quantitative assessment whole-rock iron content in magnetite protolith based on terahertz time-domain spectroscopy

Mingrui Zhang, Zhiyuan Zheng, Tong Zhang, Siqi Zhang, Ren Huang, Xiaodi Zheng, Junfeng Shen, Haochong Huang, and Zili Zhang

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Abstract

Terahertz time-domain spectroscopy was first used to establish a correlation with the whole-rock iron (TFe) content in different depths of the Bayan Obo protolith. Compared with element content obtained by the traditional method of X-ray fluorescence spectroscopy (XRF), a similar tendency of the absorption coefficient and refractive index is presented. Furthermore, three machine learning algorithms, namely, partial least squares regression (PLSR), random forest (RF), and multi-layer perceptron (MLP), were used to develop a quantitative analytical model for TFe content of the protolith minerals. Among the three algorithms, MLP has the highest detection accuracy, with a model coefficient of determination ${R^2}$ reaching up to 0.945. These findings demonstrate that terahertz time-domain spectroscopy can be used to rapidly quantify the TFe elemental content of protolith, providing a method of detecting the content of mineral components.

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Supplementary Material (9)

NameDescription
Data File 1       Terahertz time-domain data of the samples.
Data File 2       Frequency-domain data of the samples
Data File 3       Absorption coefficient for samples with different TFe contents
Data File 4       Refractive index data for samples with different TFe contents
Data File 5       TFe elemental content of protolith samples at different depths. Absorption coefficients at different frequencies versus depth. Refractive index versus depth at different frequencies.
Data File 6       TFe content vs absorption coefficient of 1.32 THz TFe content vs refractive index of 0.12 THz
Data File 7       Prediction results of different algorithmic models
Dataset 1       The correlation matrix between terahertz spectral absorption coefficients and the content of each element in the protoliths.
Dataset 2       The correlation matrix between the refractive index of terahertz spectra and the content of each element in the protoliths

Data availability

Available data underlying the results presented in this paper can be found in Dataset 1, Ref. [34] and Dataset 2, Ref. [35]. Other data are not publicly available at this time but may be obtained from the authors upon reasonable request.

34. M. Zhang, Z. Zheng, T. Zhang, et al., “The correlation matrix between terahertz spectral absorption coefficients and the content of each element in the protoliths,” figshare, 2024, https://doi.org/10.6084/m9.figshare.24953523.

35. M. Zhang, Z. Zheng, T. Zhang, et al., “The correlation matrix between the refractive index of terahertz spectra and the content of each element in the protoliths,” figshare, 2024, https://doi.org/10.6084/m9.figshare.24953532.

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