Near-infrared (NIR) spectroscopy for motor oil classification: From discriminant analysis to support vector machines

被引:122
作者
Balabin, Roman M. [1 ]
Safieva, Ravilya Z. [2 ]
Lomakina, Ekaterina I. [3 ]
机构
[1] ETH, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland
[2] Gubkin Russian State Univ Oil & Gas, Moscow 119991, Russia
[3] ETH, Inst Computat Sci, CH-8092 Zurich, Switzerland
关键词
Discriminant analysis (LDA QDA; RDA); Soft independent modeling of class analogy (SIMCA); K-nearest neighbor method (KNN); Support vector machines (SVM); Probabilistic neural network (PNN); Near infrared (NIR) spectroscopy; GASOLINE; CALIBRATION; SPECTRA; DIFFERENTIATION; ADSORPTION; PREDICTION;
D O I
10.1016/j.microc.2010.12.007
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Near-infrared (NIR) spectroscopy is a non-destructive measurement technique for many chemical compounds that has proved its efficiency for laboratory and industrial applications (including petroleum industry). Motor oil classification is an important task for quality control and identification of oil adulteration. Type of motor oil base stock is a key factor in product price formation. In this paper we have tried to evaluate the efficiency of different methods for motor oils classification by base stock (synthetic, semi-synthetic and mineral) and kinematic viscosity at low and high temperature. We have compared the abilities of seven (7) different classification methods: regularized discriminant analysis (RDA), soft independent modelling of class analogy (SIMCA), partial least squares classification (PLS), K-nearest neighbour (KNN), artificial neural network - multilayer perceptron (ANN-MLP), support vector machine (SVM), and probabilistic neural network (PNN) - for classification of motor oils. Three (3) sets of near-infrared spectra (1125, 1010, and 1050 items) were used for classification of motor oils into three or four classes. In all cases NIR spectroscopy was found to be effective for motor oil classification when combined with an effective multivariate data analysis (MDA) technique. SVM and PNN chemometric techniques were found to be the most effective ones for classification of motor oil based on its NIR spectrum. (C) 2010 Elsevier B.V. All rights reserved.
引用
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页码:121 / 128
页数:8
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