| 光谱学与光谱分析 |
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| A New Multivariate Quantitative Method of Spectral Analysis for Multicomponent System |
| HU Ai-qin1, YUAN Hong-fu1*, YAO Zhi-xiang2, LIU Ya-fei1, SONG Chun-feng1, LI Xiao-yu1 |
1. School of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China
2. School of Biological and Chemical Engineering, Guangxi University of Science and Technology, Liuzhou 545006, China |
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Abstract In the spectral analysis, a large-scale application of the traditional multivariate analysis methods has been limited by both high cost and poor applicability of the calibration models. A new multivariate analysis method was proposed for multicomponent systems in the present paper. Determining MTBE content in gasoline solution by infrared spectroscopy was studied. The spectra of five kinds of gasoline and their 50 narrow distillation fractions were used to build the background library. The oblique projection algorithm was applied to the spectra of MTBE gasoline solution samples to extract the pure spectral signal of MTBE in the solution. A unary linear regression curve was built between the pure spectral signals of MTBE and their concentrations with a correlation coefficient of 0.995 2 and an intercept of 0.025. Compared with the orthogonal projection algorithm method and PLS model method, a large amounts of calibration samples and complex model are no longer needed by the new method which is simpler, more accurate and with better applicability.
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Received: 2014-06-09
Accepted: 2014-08-25
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Corresponding Authors:
YUAN Hong-fu
E-mail: hfyuan@mail.buct.edu.cn
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[1] LU Wan-zhen, YUAN Hong-fu, XU Guang-tong(陆婉珍，袁洪福，徐广通). The Modern Analysis Technique for Near Infrared Spectra(现代近红外光谱分析技术）. Beijing: Chinese Oil and Chemical Press（北京：中国石油化工出版社）, 2007.
[2] CHU Xiao-li（褚小立）. Molecular Spectroscopy Analytical Technology Combined with Chemometrics and Its Applications（化学计量学方法及分子光谱分析技术）. Beijing: Chemical Industry Press（北京：化学工业出版社），2011. 53.
[3] GB/T 29858—2013, Standard Guidelines for Molecular Spectroscopymultivariate Calibration Quantitative Analysis（分子光谱多元校正定量分析通则），2013.
[4] LI Hai-sheng（李海生）. Algorithm and Application Research of Support Vector Machine Regression（支持向量机回归算法与应用研究），2005.
[5] LIANG Yi-zeng（梁逸曾）. White, Grey and Black Multicomponent Systems and Their Chemometric Algorithms （白灰黑复杂多组分分析体系及其化学计量学算法）. Changsha: Hunan Publishing House of Science and Technology（长沙：湖南科学技术出版社），1996.
[6] XIE Yu-long, LIANG Yi-zeng, YU Ru-qin（谢玉龙，梁逸曾，俞汝勤）. Chinese Journal of Analytical Chemistry（分析化学），1988, 17(6): 493.
[7] Murry F J. Trans. Amer. Math. Soc., 1937, 43: 138.
[8] Lorch E R. Trans. Amer. Math. Soc., 1939, 45: 217. |
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