Spectroscopy and Spectral Analysis, Volume. 41, Issue 7, 2099(2021)
Study on Rapid Quantitative Analysis Method of Methanol Content in Methanol Gasoline by Raman Spectroscopy and Partial Least Squares
Figures & Tables(7)
Fig. 1. Raman spectra of different samples
(a): Methanol; (b): Gasoline;(c): Methanol gasoline with different methanol content
Fig. 2. Prediction performance curve of PLS calibration model based on 5-flod CV with different LVs
Fig. 3. Optimization figure of VIP variable importance threshold based on PLS calibration model
(a): Calibration set; (b): Prediction set
Fig. 4. Prediction performance of three PLS calibration models based on Raman spectrum
(a): RAW-PLS; (b): WT-PLS; (c): VIP-PLS
Table 1. Methanol volume fraction in methanol gasoline samples
View tableView in ArticleTable 1. Methanol volume fraction in methanol gasoline samples
编号 体积分数/% 编号 体积分数/% 编号 体积分数/% 编号 体积分数/% 编号 体积分数/% 1 1.00 11 6.00 21 17.00 31 27.00 41 37.00 2 1.50 12* 8.00 22* 18.00 32* 28.00 42* 38.00 3* 2.00 13 9.00 23 19.00 33 29.00 43 39.00 4 2.50 14 10.00 24 20.00 34 30.00 44 40.00 5 3.00 15* 11.00 25* 21.00 35* 31.00 45* 41.00 6* 3.50 16 12.00 26 22.00 36 32.00 46 42.00 7 4.00 17 13.00 27 23.00 37 33.00 47 43.00 8 4.50 18* 14.00 28* 24.00 38* 34.00 48* 44.00 9* 5.00 19 15.00 29 25.00 39 35.00 49 45.00 10 5.50 20 16.00 30 26.00 40 36.00
Table 2. Comparison of prediction performance of PLS calibration models based on different spectral pretreatment methods
View tableView in ArticleTable 2. Comparison of prediction performance of PLS calibration models based on different spectral pretreatment methods
预处理方法 5-flod CV 预测集 RMSECV/% RMSEP/% RAW 0.967 4 0.034 5 0.936 2 0.041 3 MSC 0.967 4 0.034 4 0.955 1 0.035 0 SNV 0.969 1 0.033 6 0.953 4 0.033 7 D1st 0.965 7 0.035 4 0.906 8 0.050 7 Normalization 0.958 7 0.038 8 0.955 2 0.033 3 WT 0.974 3 0.030 7 0.960 4 0.034 1
Table 3. Comparison of prediction performance of the PLS calibration models based on different input variables
View tableView in ArticleTable 3. Comparison of prediction performance of the PLS calibration models based on different input variables
模型 建模时
间/s变量
个数5-flod CV 预测集 RMSECV
/%RMSEP
/%RAW-PLS 1.36 1 044 0.967 4 0.034 5 0.936 2 0.041 3 WT-PLS 1.32 1 044 0.974 3 0.030 7 0.960 4 0.034 1 VIP-PLS 0.28 22 0.973 7 0.031 1 0.960 4 0.034 1
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Mao-gang LI, Chun-hua YAN, Yao DU, Tian-long ZHANG, Hua LI. Study on Rapid Quantitative Analysis Method of Methanol Content in Methanol Gasoline by Raman Spectroscopy and Partial Least Squares[J]. Spectroscopy and Spectral Analysis, 2021, 41(7): 2099
Paper Information
Category: Research Articles
Received: Jun. 24, 2020
Accepted: --
Published Online: Sep. 8, 2021
The Author Email: LI Mao-gang (lmglmg1995@163.com)
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