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
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.
胡爱琴1，袁洪福1*，姚志湘2，刘亚飞1，宋春风1，李效玉1 . 多组分复杂体系光谱多元定量分析方法研究 [J]. 光谱学与光谱分析, 2014, 34(11): 3040-3044.
HU Ai-qin1, YUAN Hong-fu1*, YAO Zhi-xiang2, LIU Ya-fei1, SONG Chun-feng1, LI Xiao-yu1 . A New Multivariate Quantitative Method of Spectral Analysis for Multicomponent System. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2014, 34(11): 3040-3044.
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