基于红外光谱的煤炭产地溯源技术研究

随着我国煤炭对外依赖程度的不断提高, 煤炭进口掺假、以次充好的问题日益严重, 因此建立准确、快速、便捷、安全、环保的煤炭产地溯源技术的工作势在必行。红外光谱分析技术近年来也已经广泛应用在医药、食品、工业等领域的原产地鉴别工作中。红外光谱中包含丰富的成分与结构信息, 不同国家产出的煤炭, 不同产地的煤炭在组分及分子结构上存在较大的差异, 可以作为产地溯源的特征指示信息。因此, 本研究应用傅里叶红外光谱分析仪对来自5个国家30个进口煤炭样品进行了光谱采集分析, 通过不同产地的煤炭在红外光谱上所表现出的特征性, 以主成分分析和判别分析等化学计量学分析方法创新性地建立了3个国家的基于红外光谱特征信息的煤炭产地溯源模型, 并对模型的准确性进行了验证, 得出的主要认识如下: ①不同国家产出的煤炭, 其测定的红外光谱曲线形状存在差异, 所含有的官能团种类不同, 同种官能团吸收峰的数量、峰位及峰强度也有明显的差异; ②基于3个国家23个煤炭样品的红外光谱测试数据, 建立了官能团的特征信息数据库, 对其进行主成分分析和判别分析等化学计量学方法分析, 建立了俄罗斯、印尼和澳大利亚的煤炭产地溯源模型; ③选取已知产地的煤炭样本对建立的产地溯源模型的准确性进行了验证, 溯源效果准确率达到100%。某一产地的样本量越多, 模型判别分类的准确率更高, 溯源效果也更好。 

Study on coal origin traceability technology based on infrared spectrum

With the increasing dependence of China's coal on the outside world, the problem of coal import adulteration and coal filling is becoming increasingly serious, so it is imperative to establish the accurate, fast, convenient, safe, and environmentally friendly technology of coal origin tracing. In recent years, infrared spectroscopy has been widely used in the field of origin identification in medicine, food, industry and so on. The infrared spectrum contains abundant informationon composition and structure, and the differencesin composition and molecular structure of coals among different countries and regions can be used as the characteristic indications of source tracing. Therefore, in this paper, 30 imported coal samples from 5 countries were collected and analyzed by Fourier Transform Infrared (FTIR) spectrometry, and the characteristics of coal samples from different producing areas were analyzed using principal component analysis, discriminant analysis, and other chemometrics methods.A coal source tracing model based on infrared spectral characteristic information in three countries was established, and its accuracy was verified. The main conclusions are as follows: ①There are differences in the shapes of infrared spectra curves and the types of functional groups in coals from different countries, and the number, position, and intensity of the absorption peaks of the same functional group were also different. ②Based on the infrared spectra data of 23 coal samples from 3 countries, the characteristic information database of functional groups was established, and the principal component analysis and discriminant analysis were carried out for the chemometrics analysis. The traceability models of coal origin in Russia, Indonesia, and Australia were established. ③The accuracy of the origin tracing model is verified by coal samples from known origins, and the accuracy of the result is 100%. The more samples there are, the higher the accuracy and the better the traceability effect of the model.