俄罗斯无烟煤和越南无烟煤的拉曼光谱鉴别

doi:10.13228/j.boyuan.issn1000-7571.012614

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摘要我国进口煤炭征收关税税率适用相应的原产地规则,因此鉴别俄罗斯无烟煤和越南无烟煤,有助于防控伪报、瞒报及误报风险。收集了18批俄罗斯无烟煤和15批越南无烟煤代表性样品,运用532 nm拉曼光谱仪采集光谱数据。比对俄罗斯无烟煤和越南无烟煤的原始光谱,发现在一级模区域,俄罗斯无烟煤峰型相对宽缓;在二级模区域,俄罗斯无烟煤和越南无烟煤在波数2 680 cm^-1和2 950 cm^-1附近均存在两个特征峰,但俄罗斯无烟煤在2 950 cm^-1处峰强度较弱。对谱图一级模进行分峰拟合,提取谱图特征参数,发现俄罗斯无烟煤和越南无烟煤在D1峰强度和G峰半高宽特征平均值上较为接近,但越南无烟煤在D1峰强度和G峰半高宽的标准偏差更大,其余特征如D1峰和G峰的峰强比、半高宽比值、峰型系数等在平均值和其标准偏差上均差异明显。基于分峰拟合Fisher逐步判别提取D1峰强度、D1峰偏度、D1峰峰度、G峰强度、G峰偏度、G峰峰度和G峰半峰宽7项鉴别特征,基于原始光谱主成分分析结合Fisher逐步判别提取5个主成分,分别建立俄罗斯无烟煤和越南无烟煤的鉴别模型,采用留一交叉验证方法评价模型的准确率,两个模型的平均准确率均为100%,其中基于化学知识的分峰拟合结合Fisher逐步判别模型表现出更好的鉴别能力。

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	王兵
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	刘曙

关键词 ：拉曼光谱, 俄罗斯无烟煤, 越南无烟煤, 分峰拟合, 判别分析

Abstract：The tariff rate of imported coal in China is subject to the corresponding rules of origin,so distinguishing Russian anthracite from Vietnamese anthracite is helpful to prevent and control the risks of false reporting,concealment and misdeclaration.The representative samples of 18 batches of Russian anthracite and 15 batches of Vietnamese anthracite were collected.The spectral data were collected by 532 nm Raman spectrometer.The original spectra of Russian anthracite were compared with that of Vietnamese anthracite,it was found that the peak shape of Russian anthracite was relatively broad and gentle in the first-order Raman region.In the second-order Raman region,both Russian anthracite and Vietnamese anthracite showed two characteristic peaks near wavenumbers of 2 680 cm^-1 and 2 950 cm^-1,but the peak intensity of Russian anthracite at 2 950 cm^-1 was weaker.By peak fitting the first-order of the spectrogram and extracting the characteristic parameters of the spectrogram,it was found that Russian anthracite and Vietnamese anthracite were close to each other in the average value of D1 peak intensity and G peak full width at half maximum(FWHM).However,the standard deviation of Vietnamese anthracite at D1 peak intensity and G peak FWHM was larger.The average value and standard deviation of D1 peak and G peak in other characteristics showed significant differences,such as the peak intensity ratio,FWHM ratio and peak shape coefficient.Based on peak fitting combined with Fisher stepwise discriminant method,seven discriminant features of D1 peak intensity,D1 peak skewness,D1 peak kurtosis,G peak intensity,G peak skewness,G peak kurtosis and G peak FWHM were extracted.Meanwhile,based on original spectral principal component analysis combined with Fisher stepwise discrimination method,5 principal components were extracted to establish the identification model of Russian anthracite and Vietnamese anthracite,respectively.The accuracy of the model was evaluated by one-off cross-validation method,and the average accuracies of the two above models were both 100%.Wherein,the peak fitting based on chemical knowledge combined with Fisher stepwise discrimination model showed better discrimination ability.

Key words： Raman spectrogram Russian anthracite Vietnamese anthracite peak fitting discriminant analysis

收稿日期: 2024-06-03

ZTFLH:	O657.37
	TQ533

基金资助:海关总署科研项目(2022HK128)

通讯作者: 刘曙(1982-),男,正高级工程师,硕士,从事商品检验及标准化研究;E-mail:liu_shu@customs.gov.cn
闵红(1983-),女,高级工程师,硕士,从事矿产品检验及标准化研究;E-mail:minhong@customs.gov.cn

作者简介: 王兵(1984-),男,高级工程师,硕士,研究方向为拉曼光谱在煤炭中的应用;E-mail:wangbing216@163.com

引用本文:

王兵, 朱志秀, 殷俊, 严承琳, 闵红, 刘曙. 俄罗斯无烟煤和越南无烟煤的拉曼光谱鉴别[J]. 冶金分析, 2024, 44(10): 55-63. WANG Bing, ZHU Zhixiu, YIN Jun, YAN Chenglin, MIN Hong, LIU Shu. Raman spectrogram identification of Russian anthracite and Vietnamese anthracite. , 2024, 44(10): 55-63.

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http://yjfx.chinamet.cn/CN/10.13228/j.boyuan.issn1000-7571.012614 或 http://yjfx.chinamet.cn/CN/Y2024/V44/I10/55

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