Experimental and Kinetic Modeling Study of 2‑Methylfuran Pyrolysis at Low and Atmospheric Pressures
datasetposted on 25.11.2016, 00:00 by Zhanjun Cheng, Sirong He, Lili Xing, Lixia Wei, Wei Li, Tianyu Li, Beibei Yan, Wenchao Ma, Guanyi Chen
The pyrolysis of 2-methylfuran (MF) was studied from 900 to 1530 K in a flow reactor at 30 and 760 Torr. Synchrotron vacuum ultraviolet photoionization mass spectrometry and gas chromatography were used for identification and mole fraction measurements of pyrolysis products, especially free radicals and aromatics. Specific products were observed for the two main unimolecular decomposition pathways of MF, such as propargyl radical, methyl radical, 1-butyne, and carbon monoxide. A previous kinetic model of MF was updated on the basis of recent theoretical and modeling progresses, especially for the aromatic formation sub-mechanism. The updated model was validated by the new pyrolysis data. Kinetic analyses including rate of production analysis, and sensitivity analysis were used to provide insight into the pyrolysis chemistry of MF, especially the decomposition of MF and aromatic formation. The pyrolysis of MF was found with the kinetic characteristics of both furan pyrolysis and 2,5-dimethylfuran (DMF) pyrolysis. The decomposition of MF in pyrolysis is initiated by the unimolecular dissociation pathway, producing propargyl and acetyl radicals. Aromatics were observed with higher concentration levels in MF pyrolysis than those in DMF pyrolysis. The high concentration levels of precursors of aromatics, especially propargyl radical, are responsible for the enhanced aromatic formation in MF pyrolysis.