A Raman spectroscopic method for measuring the crystalline silica content in coal dust

IF 4.6 2区 化学 Q1 SPECTROSCOPY Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-05-05 Epub Date: 2025-02-03 DOI:10.1016/j.saa.2025.125852
Wenting Feng , Lina Zheng , Yingshuo Zhu , Zongli Huo , Lei Han
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Abstract

The applicability of Raman spectroscopy for quantitative analysis of crystalline silica content within coal dust was investigated. We prepared the formulated coal dust samples with known crystalline silica content and ashed them using a muffle furnace, followed by redeposition onto aluminum substrates to form dry sample deposits. These samples were then analyzed using Raman spectroscopy. Both univariate and multivariate calibration models were constructed for relating the Raman spectra from these dry sample deposits to the crystalline silica contents. The R2 value of the unary linear regression (ULR) model is 0.900, with a detection limit of 0.96 %. Meanwhile, the R2 value of the partial least squares regression (PLSR) model can reach 0.988, and the detection limit can be reduced to 0.18 %. A PLSR model for field coal dust samples collected from a broader range of geological conditions was established and used for predicting the crystalline silica content in unknown coal dust samples. The measurement results agree well with those obtained from the standard infrared (IR) spectrometric method, with a root mean square error of 2.35 %. This study demonstrates the potential of Raman spectroscopy for accurately measuring crystalline silica content in coal dust.

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用拉曼光谱法测定煤尘中硅晶含量
研究了拉曼光谱法定量分析煤尘中二氧化硅晶体含量的适用性。我们制备了已知结晶二氧化硅含量的配方煤尘样品,并使用马弗炉将其灰化,然后将其重新沉积在铝基板上形成干燥的样品沉积物。然后用拉曼光谱分析这些样品。建立了单变量和多变量校准模型,将这些干燥样品沉积物的拉曼光谱与结晶二氧化硅含量联系起来。一元线性回归(ULR)模型的R2为0.900,检出限为0.96%。同时,偏最小二乘回归(PLSR)模型的R2值可达0.988,检出限可降至0.18%。建立了广泛地质条件下现场煤尘样品的PLSR模型,并用于预测未知煤尘样品中的结晶二氧化硅含量。测定结果与标准红外光谱法吻合较好,均方根误差为2.35%。本研究证明了拉曼光谱在精确测量煤尘中二氧化硅晶体含量方面的潜力。
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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