Abstract Volatile compositions of coals during fast pyrolysis are principally governed by their bond structures and establishing the relationships between them is vital for deep understanding the pyrolysis mechanism. The structural features and bond information of Jining bituminous coal (JBC) were evaluated first by the combined advanced analytical tools. Subsequently, thermogravimetry coupled with pyrolysis-gas chromatography/time of flight mass spectrometry analysis were used to capture pyrolysis behavior and volatile species of JBC. The results showed that C O bond containing species were rich in JBC and mainly in the form of aryl ethers. Therefore, phenolic compounds were the most abundant species in volatiles during fast pyrolysis and C6 C9 phenols were the major constituent of this group. Average number of aromatic rings per cluster, number of substituents on each aromatic ring, and length of methylene chain in JBC were 3, 3–4, and 1.36, respectively. However, the three parameters calculated from the aryl-containing species in volatiles were all smaller than those of JBC. Cleavages of Cal O, Cal Cal, Car Cal, and Car O greatly contributed to volatile release and 67% of the mass loss during pyrolysis of JBC was caused by breakage of aliphatic C C and C H. Furthermore, pyrrolic nitrogen was found to be the most abundant form of organically bound nitrogen, but the pyrolysis volatiles contained more pyridine-N.

中文翻译：

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济宁烟煤快速热解过程中键结构与挥发分的相关性

摘要 煤在快速热解过程中的挥发性成分主要受它们的键结构控制，建立它们之间的关系对于深入理解热解机制至关重要。结合先进的分析工具，首先对济宁烟煤（JBC）的结构特征和粘结信息进行了评价。随后，热重分析与热解-气相色谱/飞行时间质谱分析相结合，用于捕获 JBC 的热解行为和挥发性物质。结果表明，含CO键的物种富含JBC，主要以芳醚形式存在。因此，在快速热解过程中，酚类化合物是挥发物中含量最多的物质，而 C6 C9 酚类是该组的主要成分。每个簇的平均芳环数，JBC中每个芳环上的取代基数和亚甲基链的长度分别为3、3-4和1.36。然而，根据挥发物中含芳基物质计算的三个参数均小于 JBC 的参数。Cal O、Cal Cal、Car Cal 和 Car O 的裂解极大地促进了挥发物的释放，JBC 热解过程中 67% 的质量损失是由脂肪族 CC 和 C H 的断裂引起的。 此外，发现吡咯氮是最丰富的有机结合氮形式，但热解挥发物含有更多的吡啶-N。