Characterization of oil shales by 13C-NMR and the simulation of pyrolysis by FLASHCHAIN
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摘要: 采用固体 13C-NMR核磁共振技术表征了甘肃窑街矿区油页岩的碳骨架结构,分析并计算了油母质团簇化学结构参数,包括团簇平均碳原子数、芳碳原子数、脂碳原子数及芳环数。在热重红外分析仪(TG-FTIR)上进行了油页岩的热解实验,得到了热解产物的生成规律。结合样品的团簇化学结构参数,采用基于油页岩结构的FLASHCHAIN模型模拟其热解产物的生成过程;模拟结果与TG-FITR实验数据符合较好,印证了模型预测的合理性。Abstract: The carbon skeleton structure of oil shales from Gansu Yaojie mine was characterized by the 13C solid-state NMR; the chemical structure parameters of cluster in the oil shales, such as average number of carbons, aromatic carbons, aliphatic carbons and aromatic rings, were determined. TG-FTIR tests were used to obtain the yields of pyrolysis products. Considering the cluster chemical structure parameters determined by 13C solid-state NMR, the release of pyrolysis products was simulated by FLASHCHAIN. The simulation results are in good agreement with the TG-FTIR tests, proving the rationality of the model proposed.
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Key words:
- 13C-NMR /
- TG-FTIR /
- oil shales /
- pyrolysis /
- structural parameters /
- FLASHCHAIN
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