| 近红外反射光谱学在岩石矿物研究中的应用Ⅲ．快速测定地质样品中二氧化碳 |
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| 引用本文： | 龙梅,裴世桥.近红外反射光谱学在岩石矿物研究中的应用Ⅲ．快速测定地质样品中二氧化碳[J].岩矿测试,2005,24(1):26-30. |
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| 作者姓名： | 龙梅 裴世桥 |
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| 作者单位： | 中国地质大学化学分析室,北京,100083 |
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| 摘 要： | 使用一组不同岩石矿物性质的25个地质样品,研究了地质样品中二氧化碳含量和近红外漫反射光谱的关系。利用多重散射光校正、标准正常变量转换及导数光谱等化学计量统计学方法,预处理了漫反射光谱数据,获得了偏最小二乘法(PLS)回归的多变量校正方法,建立了应用近红外(NIR)反射光谱学方法无损快速测定各种地质样品中二氧化碳模型。从光谱特性方面解释了大多数进入多变量校正模型的波长与碳酸盐矿物的CO2-3基团光谱吸收有关。NIR估算结果表明,应用二氧化碳校正模型来定量分析地质样品中二氧化碳的方法是可行的。
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| 关 键 词： | 近红外反射光谱学 二氧化碳 地质样品 偏最小二乘回归法 三阶导数光谱 |
| 文章编号： | 0254-5357(2005)01-0026-05 |
Study on Application of Near-Infrared Reflectance Spectroscopy in Rock and Mineral Analysis Ⅲ. Rapid Determination of Carbon Dioxide in Geological Samples |
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| LONG Mei,PEI Shi-qiao.Study on Application of Near-Infrared Reflectance Spectroscopy in Rock and Mineral Analysis Ⅲ. Rapid Determination of Carbon Dioxide in Geological Samples[J].Rock and Mineral Analysis,2005,24(1):26-30. |
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| Authors: | LONG Mei PEI Shi-qiao |
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| Abstract: | A group of 25 geological samples with different mineralogy were used to develop a nondestructive near-infrared (NIR) analytical procedure for estimating carbon dioxide concentration in geological samples. The reflectance data were pre-processed by normalization, multiplicative scatter correction (MSC), standard normal variate (SNV) transform, and derivation . Statistical procedures were applied to obtain the multivariate regression equation between the various manipulated optical data and carbon dioxide concentration. Most of the wavelengths entered the calibration equations were spectroscopically explainable as belonging to carbonate absorption features. NIR prediction results showed that application of calibration models for quantitatively determining carbon dioxide content in the geological samples is promising. |
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| Keywords: | near-infrared reflectance spectroscopy carbon dioxide geological sample partial least squares (PLS) regression third derivation algorithm |
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