Sink-float centrifugation was used to get the vitrinite (SDV) from Shendong raw coal. The SDV was studied by 13C-CP/MAS NMR to reveal the structure characteristics of carbon atom and 12 structure parameters. The results indicate that naphthalene with condensation degrees of 2 is the main form of aromatic carbon in SDV. Benzene ring and aromatic ring with heteroatom is another existing form. Based on structure parameters and elemental analysis, macromolecular structure model of SDV is constructed. 13C chemical shift of SDV macromolecular structure is calculated by commercial software of ACD/CNMR predictor. According to the calculation results, macromolecular structure model of SDV is corrected, and finally the calculated chemical shift diagram of model can tally well with the experimental result.%利用浮沉离心法得到了神东原煤的镜质组(SDV),并对其进行了固体13C-CP/MAS NMR测试和元素分析.由13C-NMR实验得到了SDV中碳原子的结构分布特征和12种结构参数.结果表明,在SDV的结构中芳香碳原子的存在形式主要是缩合程度为2的萘,其余则是以苯环和含杂原子的芳香环.利用结构参数和元素分析的结果构建了SDV的大分子结构模型,并运用13C-NMR预测软件ACD/CNMR predictor计算了SDV大分子结构模型的13C化学位移.根据计算结果对SDV的大分子结构模型进行了修正,获得了能和实验谱图吻合较好的大分子结构模型.
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