一种危险液体混合物的拉曼光谱定性定量识别方法

doi:10.3964/j.issn.1000-0593(2019)11-3372-05

Abstract
References
Related Citation (15)

Download: PDF (3190 KB)
Export: BibTeX | EndNote (RIS)

Abstract The qualitative and quantitative analysis of dangerous liquid mixtures by Raman spectroscopy has always been a difficult problem in field application. To solve this problem, this paper aoalyzes the changes of peak position, peak value and peak shape of Raman spectra after mixing, and innovatively constructs the mapping relationship from mixture components to mixture Raman spectroscopy. The mapping relation describes that the Raman characteristic peak response of the mixture is only related to the Raman characteristic peak response of each component and the mixing ratio of each component in the mixture. Based on the inverse matrix calculation, the mixing ratio of each component can be inversely deduced from the Raman spectra of the mixtures. So, in this paper the qualitative and quantitative identification method of dangerous liquid mixtures is proposed. The main steps include: First, collected Raman spectroscopy. Second, processed spectral data and obtained Raman characteristic peaks. Third, calculated the positive and negative matching coefficient between database standard samples and test samples. Finally, if the matching coefficients of both positive and negative characteristic peaks were high enough to satisfy certain threshold conditions, the test samples could be identified as a certain purity. If not a purity, the test samples would be analyzed as a mixture. In this part, the compositions whose negative matching coefficient of Raman spectra characteristic peaks is high will be determined as the compositions of the mixture, and proportion of mixture components is calculated. In the experimental part, acetone, toluene, trichloromethane, ethanol and their mixtures were selected to study. When the mixture was mixed with acetone and ethanol at a ratio of 3∶7, the calculated values of the mixtures by calculation using the method proposed in this paper were 0.245 7 for acetone and 0.706 0 for ethanol. When the mixture sample was composed of toluene and trichloromethane in a ratio of 3∶7, the calculated values of the mixtures were 0..323 4 for toluene, 0.763 0 for trichloromethane. When the mixture sample was composed of acetone, toluene and ethanol in a ratio of 4∶3∶3, the calculated values of the mixtures were 0.795 9 for acetone, 0.303 5 for toluene and 0.287 5 for ethanol. The results show that the calculated values of the mixed components were basically in agreement with the actual values, and the qualitative and quantitative identification method of Raman spectroscopy for dangerous liquid mixtures can accurately determine the composition of each mixture and the proportion of each component in the mixture from the mixed Raman spectroscopy when the components of dangerous liquid mixture are two or three. It has great application value for the field identification of dangerous liquid mixtures.

Key words：Dangerous liquids; Raman spectrum; Mixture analysis; Qualitative and quantitative analysis

Received: 2018-09-18 Accepted: 2019-02-26

ZTFLH:

O657.3

Cite this article:

URL:

https://www.gpxygpfx.com/EN/10.3964/j.issn.1000-0593(2019)11-3372-05 OR https://www.gpxygpfx.com/EN/Y2019/V39/I11/3372