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Citation: WU Wei-Hong, WANG Hai-Shui. Content of Methanol in Solution Measured via Near-infrared Spectra[J]. Chinese Journal of Applied Chemistry, ;2007, 24(10): 1101-1104. shu

Content of Methanol in Solution Measured via Near-infrared Spectra

WU Wei-Hong ^a,b ,
WANG Hai-Shui ^a,,

1.
a Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022;
2.
b Graduate School of the Chinese Academy of Sciences, Beijing

Corresponding author: WANG Hai-Shui,
Received Date: 26 October 2006
Available Online: 26 March 2007
Fund Project: 国家自然科学基金资助项目(20273068,90306001) (20273068,90306001)

Near-infrared spectra of ethanol solutions were obtained and the mathematic models for quantitative analysis of trace methanol in solution were set up. The mathematic models established by test set-validation and by cross-validation were compared, and the effect of the change of the numbers of samples used in calibration model and validation model of test set-validation on the mathematic models was evaluated. It was found that the predicted results of the mathematic model are good when the number of samples is 15 in calibration model and that in validation model is 6(the total is 21). In that case, the value of the root mean square error of the estimation of calibration and the root mean square error of prediction of validation(RMSEE and RMSEP, respectively) are very small(0.011 5 and 0.010 5 respectively) and almost the same. Our results indicate that near infrared spectroscopy can be used to analyze the content of methanol in ethanol solution very well.
- near-infrared spectroscopy,
- mathematic model,
- quantitative analysis,
- methanol
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