神华煤直接液化残渣中重质油组分的分子结构

The molecular structure of heavy oil fraction from the Shenhua coal direct liquefaction residue

对0．1t／d煤直接液化连续实验装置中获取的神华煤液化残渣的重质油组分进行分子结构的研究，通过元素分析、分子量的测定等常规方法的分析和傅立叶变换红外光谱分析、核磁共振、裂解色谱质谱等物理仪器方法的分析，得到了重质油组分的平均分子量为339，平均分子式为C25H31O0．2N0.26，主要结构是2～3环的芳香烃，其中有些已部分饱和成环烷烃，芳香环及饱和环上存在烷基取代基，取代基的链长不一，平均为9～10个碳，以及含有少量氧和氮原子处在环上形成杂环．

The average molecular structure characters of the oil that was from the Shenhua coal direct liquefaction residue in the 0. 1 t/d coal direct liquefaction continuity test equipment were studied. Not only routine analyses, such as elemental, molecule weight etc, but also Fourier infrared spectrometry, nuclear magnetic resonance spectrometry and pyrolysis GC-MS and so on were used. The average molecule weight of the oil is 339 and its average molecule formula is C25H31O0.2 N0.26 Some conclusions of intra-molecule were obtained by analyzing the much data, including 2 - 3 rings of condensing aromatic, partially hydrogenated aromatic structure units, a series of n-alkenes chain that are linked with aromatic structure which have average 9 -10 carbon atoms, as well as a few oxygen and nitrogen atoms in the rings.