煤焦油加氢产物的全二维气相色谱-质谱分析

Analysis of coal tar hydrogenation product by comprehensive two-dimensional gas chromatography-mass spectrometry

建立了全二维气相色谱-质谱分析煤焦油加氢产物石脑油馏分的方法。使用美国国家标准与技术研究院标准谱库并结合全二维谱图特征,定性了样品中140个组分,芳烃、环烷烃、链烷烃按照极性和沸点的规律在谱图中呈瓦片状分布。实验使用双检测器,质谱结果用于定性,火焰离子化检测器结果用于定量。采用校正面积归一法计算得到样品的碳数分布结果,样品中环烷烃和芳烃含量最丰,相对质量分数分别为62.78%和17.97%。结果表明,该方法为研究者深入认识煤焦油加氢规律提供了技术支持。与普通一维色谱相比,全二维气相色谱具有峰容量大、分辨率高等特点,在复杂化合物的分离方面展现出巨大潜力。

An analytical method for separation and identification of naphtha cut in coal tar hydrogenation product by comprehensive two-dimensional gas chromatography/mass spectrometry was established.By using the spectral library of National Institute of Standards and Technology(NIST)in combination with the characteristics of the comprehensive two-dimensional spectrogram,140 individual compounds were identified,among which aromatics,cycloalkanes and alkanes distributed as groups in the GC×GC chromatograms such as tiles.Two different detectors were used in this study.Mass spectrometry(MS)detector was employed for qualitative analysis and flame ionization detector(FID)was used for quantitative analysis.The carbon number distribution of the sample was obtained by adopting the corrected area normalization method.Cycloalkanes and aromatics were the most abundant in the samples,the relative mass fractions of which were 62.78%and 17.97%respectively.Results show that the proposed method can provide technical support for the investigation of hydrogenation mechanism of coal tar.Inaddition,compared with the conventional single column chromatography,the comprehensive GC×GC has larger peak capacity and higher resolution,and thus is a powerful tool in the separation of complex compounds.