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Issue 16, 2018

High temperature pyrolysis of 2-methyl furan

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Abstract

The dissociation of 2-methyl furan at high temperatures has been studied in a combined experimental and theoretical approach to elucidate the details of this multi-channel unimolecular reaction. Laser schlieren densitometry studies were performed in a diaphragmless shock tube over the range 1600 < T < 2300 K and three pressures 60, 120 and 240 Torr. The theoretical study identified many reaction paths, most of which are initiated by the formation of carbenes. Of these paths, five account for 99% consumption of 2MF, and three account for 95% consumption. Simulations of the experimental results with a model that incorporated the theoretical predictions of reaction paths failed to reproduce the experimental data. This was resolved by increasing the rate of loss of an H-atom from the methyl group in 2-methyl furan by a factor of 2–4. The resulting model provides good simulations of the complete set of experimental data. The branching fractions for the three key reactions are both temperature and pressure dependent.

Graphical abstract: High temperature pyrolysis of 2-methyl furan

Supplementary files

Article information


Submitted
17 Nov 2017
Accepted
30 Jan 2018
First published
16 Feb 2018

Phys. Chem. Chem. Phys., 2018,20, 10826-10837
Article type
Paper

High temperature pyrolysis of 2-methyl furan

R. S. Tranter, P. T. Lynch, J. B. Randazzo, J. P. A. Lockhart, X. Chen and C. F. Goldsmith, Phys. Chem. Chem. Phys., 2018, 20, 10826 DOI: 10.1039/C7CP07775K

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