Pyrolysis of Furan and Its Methylated Derivatives: A Shock-Tube/TOF-MS and Modeling Study

In this study, the pyrolysis of furan (F) and its two methyl-substituted derivatives 2-methylfuran (2-MF) and 2,5-dimethylfuran (2,5-DMF) was investigated behind reflected shock waves at pressures near 1 bar in Ne as the bath gas. Concentration–time profiles of different stable species (reactants, intermediates, and products) were recorded simultaneously with high-repetition time-of-flight mass spectrometry and compared to results from simulations with a recently published, combined F/2-MF/2,5-DMF oxidation mechanism that was slightly modified already in another publication to describe the formation of H atoms in these pyrolysis systems. The temperature ranges covered in our experiments were chosen in line with the different thermal stabilities of the three reactants (F: T = 1050–1920 K; 2-MF: T = 1060–1900 K; 2,5-DMF: T = 1000–1800 K). In general, we obtained satisfactory agreement of the experimental and modeling results. To clarify the most important reaction routes for the formation of the detected sp...