光谱学与光谱分析 |
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Hydrocarbon Group Analysis of Gasoline by Raman Spectroscopy with Outlier Detection |
DAN Tu-nan, DAI Lian-kui* |
State Key Lab of Industrial Control Technology, Zhejiang University, Hangzhou 310027, China |
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Abstract Hydrocarbon group of gasoline not only determines the quality of gasoline, but also directly relates to the impact of exhaust air on the environment. The present paper successfully applied Raman spectroscopy to the quantitative analysis of hydrocarbon group in gasoline. Contaminated samples were removed from calibration set by outlier detection, which effectively improved the partial least squares (PLS) prediction accuracy. The standard prediction errors of aromatics, olefin and oxygen content are 0.23, 0.52 and 0.143 respectively, and the corresponding multiple correlation coefficients of prediction (R2) are 0.987, 0.927 and 0.971. Experimental results show that the effectiveness of Raman spectroscopy for hydrocarbon group analysis in gasoline, and that the prediction accuracy is much better than near infrared spectroscopy or multidimensional gas chromatography. Quantitative calibrations based on Raman spectroscopy can also be used in the on-line analysis of gasoline production processes.
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Received: 2009-05-18
Accepted: 2009-08-22
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Corresponding Authors:
DAI Lian-kui
E-mail: lkdai@iipc.zju.edu.cn
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[1] State General Administration of the People’s Republic of China for Quality Supervision and Inspection and Quarantine, Standardization Administration of the People’s Republic of China(中华人民共和国国家质量监督检验检疫局,中国国家标准化管理委员会). Standard Test Method for Hydrocarbon Types in Liquid Petroleum Products by Fluorescent Indicator Adsorption(液体石油产品烃类的测试—荧光指示剂吸附法). Beijing: Standards Press of China(北京:中国标准出版社),2008. [2] LI Chang-xiu, LIU Ying-rong, YANG Hai-ying, et al(李长秀, 刘颖荣, 杨海鹰, 等). Chinese Journal of Chromatography(色谱), 2004, 22(5): 521. [3] LU Wan-zhen, YUAN Hong-fu, XU Guang-tong, et al(陆婉珍, 袁洪福, 徐广通, 等). Modern NIR Spectroscopy Analytical Technology(现代近红外光谱分析技术). Beijing: China Petrochemical Press(北京:中国石化出版社), 2000. [4] CHU Xiao-li, XU Yu-peng, LU Wan-zhen (褚小立, 许育鹏, 陆婉珍). Journal of Instrumental Analysis(分析测试学报), 2008, 27(6): 619. [5] SHI Yong-gang, LIU Shao-pu, SONG Shi-yuan, et al(史永刚, 刘绍璞, 宋世远, 等). Journal of Instrumental Analysis(分析测试学报), 2007, 26(3): 343. [6] Flecher Philip E, Cooper John B, Vess Thomas M, et al. Spectrochimica Acta Part A, 1996, 52(10): 1235. [7] Ku Min-Sik, Chung Hoeil. Bulletin of the Korean Chemical Society, 1999, 20(2): 159. [8] Sharma Shiv K, Misra Anupam K, Sharma Bhavna. Spectrochimica Acta Part A, 2005, 61: 2404. [9] CHU Xiao-li, YUAN Hong-fu, LU Wan-zhen(褚小立,袁洪福, 陆婉珍). Progress in Chemistry(化学进展), 2004, 16(4): 528. [10] Cooper John Britain. Chemometrics and Intelligent Laboratory Systems, 1999, 46: 231. [11] ZHANG Qi-ke, DAI Lian-kui(张其可, 戴连奎). Chinese Journal of Sensors and Actuators(传感技术学报), 2006, 19(4): 1190. [12] Suykens J A K, Brabanter J De, Lukas L, et al. Neurocomputing, 2002, 48: 85. [13] Hampel F R, Ronchetti E M, Rousseeuw P J, et al. Robust Statistics: The Approach Based on Influence Functions. New York:Wiley, 1986.
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