Ecotoxicol Environ Saf. 2021 Aug 11;223:112604. doi: 10.1016/j.ecoenv.2021.112604. Online ahead of print.
ABSTRACT
The demand for the effective traceability of hazardous chemicals is crucial for preventing and controlling chemical spills and other accidents involving hazardous chemicals. The aim of the study was to investigate the correlation between the geographical location of ethanol-producing industrial sites and the carbon, hydrogen, and oxygen stable isotope ratios of the Chinese-manufactured ethanol using statistical classification analysis to enable the traceability of the ethanol. The isotopic data of 54 ethanol samples obtained from 18 different ethanol manufacturing plants in China between 2019 and 2020. The results of the statistical analysis demonstrated that the δ18O values of the ethanol positively correlated with latitudes of the production plants but negatively correlated with the δ13C values of the ethanol. A small number of samples derived from sites that were geographically close to each other could not be visually distinguished by PCA and HCA. However, by applying and comparing the results of classification by LDA, K-NN and Ensemble, an optimal classification model was obtained. Upon application of these models, 96.3% of the ethanol samples were correctly classified based on their geographical origin, indicating that the combination of isotopic ratios and latitude data is practical and effective for measuring the traceability of ethanol.
PMID:34390986 | DOI:10.1016/j.ecoenv.2021.112604
