Spectroscopy and Spectral Analysis, Volume. 40, Issue 11, 3599(2020)
Quantitative Analysis Method for Mixture With Known Components Based on Raman Spectroscopy
Figures & Tables(10)
Fig. 1. The raw spectra of six substances obtained by a handheld Raman spectrometer
Fig. 2. (a) The raw Raman spectra of S1 sample; (b) The preprocess Raman spectra of S1 sample
Fig. 4. Schematic diagram of spectral decomposition based on Voigt
Fig. 5. The preprocessed spectra and peaks of Ethanol, Acetone, Cyclohexane and S3-V3
Fig. 6. The spectra decomposition of Ethanol, Acetone, Cyclohexane and S3-V3 base on Voigt
Fig. 7. Scatter plot of predicted and actual volume concentrations
(a): Ethanol; (b): Acetonitrile; (c): Acetone; (d): Cyclohexane; (e): Diacetone alcohol; (f): Diethyl malonate
Table 1. Ten different types of ternary mixtures
View tableView in ArticleTable 1. Ten different types of ternary mixtures
各组分光谱
测量条件混合物光谱
测量条件序号 乙醇 乙腈 丙酮 环己烷 二丙酮醇 丙二酸二乙酯 体积比 300 mW, 2 s 300 mW, 2 s S1 √ × √ × √ × 7:2:1
5:3:2
4:3:3
2:1:7
3:2:5
3:3:4
1:7:2
2:5:3
3:4:3S2 × × √ × √ √ S3 √ × √ √ × × 300 mW, 1.5s 300 mW, 1.5 s S4 √ × × √ × √ S5 × √ √ × √ × 300 mW, 2 s 200 mW, 2 s S6 √ √ √ × × × 200 mW, 1.5 s S7 × × √ √ √ × 150 mW, 1.5 s S8 × × × √ √ √ 250 mW, 1.5 s S9 √ × × × √ √ 250 mW, 1.5 s S10 √ √ × × × √
Table 2. The quantitative analysis results of the mixture and its component reference spectra under same integration time and power
View tableView in ArticleTable 2. The quantitative analysis results of the mixture and its component reference spectra under same integration time and power
乙醇 乙腈 丙酮 环己烷 二丙酮醇 丙二酸二乙酯 r 0.950 7 0.990 9 0.972 6 0.971 0 0.966 2 0.991 0 RMSE 0.059 3 0.030 8 0.040 8 0.053 6 0.055 4 0.046 9 RPD 2.921 5 5.852 7 4.221 7 3.261 7 3.128 8 3.730 5 Number of samples 27 9 36 18 27 18
Table 3. The quantitative analysis results of the mixture and its component reference spectra under different integration time and power
View tableView in ArticleTable 3. The quantitative analysis results of the mixture and its component reference spectra under different integration time and power
乙醇 乙腈 丙酮 环己烷 二丙酮醇 丙二酸二乙酯 r 0.963 6 0.939 1 0.951 1 0.986 0 0.991 8 0.945 8 RMSE 0.079 0 0.079 4 0.058 3 0.028 9 0.033 0 0.059 4 RPD 2.191 5 2.203 0 3.000 0 6.045 7 5.240 9 2.913 6 Number of samples 27 18 18 18 27 27
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Fan YAN, Qi-bing ZHU, Min HUANG, Cai-zheng LIU, Ze-min LEI, Heng ZHANG, Li-wen ZHANG, Min LI. Quantitative Analysis Method for Mixture With Known Components Based on Raman Spectroscopy[J]. Spectroscopy and Spectral Analysis, 2020, 40(11): 3599
Paper Information
Category: Research Articles
Received: Oct. 11, 2019
Accepted: --
Published Online: Jun. 18, 2021
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