Quantitative Detection of Quartz Sandstone SiO2 Grade Using Polarized Infrared Absorption Spectroscopy with Convolutional Neural Network Model

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2023-04-04 DOI:10.1155/2023/7807297
Banglong Pan, Hongwei Cheng, Shuhua Du, Hanming Yu, Shaoru Feng, Yi Tang, Juan Du, H. Xie
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Abstract

As an independent characteristic of electromagnetic radiation, the polarization of light is sensitive to the scattering and absorption characteristics of the mineral particles. The combination of polarization and infrared absorption spectroscopy is conducive to rapidly and accurately detecting the SiO2 content of metallurgical sandstone deposits. In this study, the 8–14 μm polarized infrared absorption spectra and the grade of the sandstone ore samples were used to analyse the spectral characteristics of the sandstone powder samples. Principal component analysis (PCA) and the successive projection algorithm (SPA) were used to reduce the dimension of the original data, first-order derivative, reciprocal logarithm, and multivariate scattering correction (MSC) data. Then, generalized regression neural network (GRNN), partial least squares regression (PLSR), and convolutional neural network (CNN) were employed to establish a hyperspectral prediction model of SiO2 grade. The results show that the quantitative model by the PCA-CNN algorithm has the better prediction precision for the reciprocal logarithm data, with a coefficient of determination (R2), root mean square error (RMSE), and ratio of performance to interquartile range (RPIQ) of 0.907, 0.023, and 5.11, respectively. This method indicates that the polarized infrared absorption spectra and the PCA-CNN model can provide a more robust and significant spectral interpretation than single infrared spectra, and it is expected to be applied to any high-purity quartz deposit type for in situ and rapid analysis.
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基于卷积神经网络模型的偏振红外吸收光谱法定量检测石英砂岩SiO2品位
光的偏振作为电磁辐射的一个独立特性,对矿物颗粒的散射和吸收特性很敏感。偏振光谱与红外吸收光谱相结合,有利于快速、准确地检测冶金砂岩矿床的SiO2含量。利用砂岩矿石样品的8 ~ 14 μm偏振红外吸收光谱和品位分析了砂岩粉体样品的光谱特征。采用主成分分析(PCA)和逐次投影算法(SPA)对原始数据、一阶导数、倒数对数和多变量散射校正(MSC)数据进行降维。然后,采用广义回归神经网络(GRNN)、偏最小二乘回归(PLSR)和卷积神经网络(CNN)建立了SiO2品位的高光谱预测模型。结果表明,PCA-CNN算法的定量模型对倒数对数数据具有较好的预测精度,其决定系数(R2)、均方根误差(RMSE)和性能四分位差比(RPIQ)分别为0.907、0.023和5.11。该方法表明,极化红外吸收光谱和PCA-CNN模型能够提供比单一红外光谱更稳健、更有意义的光谱解释,有望应用于任何高纯度石英矿床类型的原位和快速分析。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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