基于红外光谱的水泥成分测定化学计量学方法的发展及工艺优化

IF 1.8 Q3 CHEMISTRY, ANALYTICAL
D. Ozdemir, Dilek Tepeli, M. Gümüş
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引用次数: 0

摘要

结合多元校准方法,提出了FTIR-ATR光谱作为一种快速测定水泥制造中不同材料(原料、生料、添加剂、熟料和水泥类型)中一些主要氧化物(CaO、sio2、Al 2o3、Fe 2o3)和次要氧化物(MgO、so4、Na 2o和k2o)的方法。以x射线荧光(XRF)为参考方法,建立了基于FTIR光谱的多元模型。在众多的光谱预处理方法中,扩展乘法散射校正(EMSC)得到了最好的PLS模型。基于FTIR的最佳PLS模型的预测标准误差(SEP)范围为0.10 ~ 2.07 (w/w%), PLS预测与XRF参考图的回归系数(r2)范围为0.95 ~ 0.99。两种方法在95%置信水平上进行配对t检验,结果表明,FTIR-ATR结合PLS模型的结果与所研究的所有氧化物的XRF参考测量结果一致。与每次测量需要几分钟到一个小时的XRF方法相比,该方法更快、更便宜、更安全。该技术还可以实现水泥厂生产线的快速监控。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Development of chemometrics method based on infrared spectroscopy for the determination of cement composition and process optimization
: In combination with a multivariate calibration method, FTIR-ATR spectroscopy was presented as a rapid method for the determination of some major oxides (CaO, SiO 2 , Al 2 O 3 , Fe 2 O 3 ) and minor oxides (MgO, SO 4 , Na 2 O, and K 2 O) in diverse materials (raw material, raw meal, additives, clinker, and types of cement) in cement manufacturing. The FTIR spectroscopy based multivariate models were generated by taking X-ray fluorescence (XRF) as a reference method. Among a number of spectral preprocessing methods, extended multiplicative scatter correction (EMSC) yielded the best PLS models. The standard error of prediction (SEP) for the optimal FTIR based PLS models ranged from 0.10 to 2.07 (w/w%), and the regression coefficient (R 2 ) ranged from 0.95 to 0.99 for PLS predicted vs XRF reference plots. Statistical evaluation of the both methods was carried out by paired t-test at the 95% confidence level and the results showed that the FTIR-ATR combined with PLS model results are consistent with the XRF reference measurements for all the oxides studied. Compared to the XRF method, which can take anywhere from a few minutes to an hour for each measurement, the proposed method is faster, cheaper, and safer. The presented technology also allows rapid monitoring of a cement factory production line.
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来源期刊
Journal of Chemical Metrology
Journal of Chemical Metrology CHEMISTRY, ANALYTICAL-
CiteScore
2.30
自引率
15.40%
发文量
7
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