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Author(s):   Tranter, R.S.; Lynch, P.T.; Randazzo, J.B.; Lockhart, J.P.A.; Chen, X.; Goldsmith, C.F.
Title:   High temperature pyrolysis of 2-methyl furan
Journal:   Phys. Chem. Chem. Phys.
Volume:   20
Page(s):   10826 - 10837
Year:   2018
Reference type:   Journal article
Squib:   2018TRA/LYN10826-10837

Reaction:   2-Methylfuran → Products
Reaction order:   1
Temperature:   1600 - 2200 K
Pressure:  8.00E-2 bar
Rate expression:   1.78x1031 [s-1] (T/298 K)-16.70 e-466359 [J/mole]/RT
Category:  Experiment
Data type:   RRK(M) extrapolation
Pressure dependence:   Rate constant is pressure dependent
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Laser schlieren
Comments:   Reaction potential energy surface was studied using quantum chemistry and reaction channels were analyzed. Rate constants were calculated over wide ranges of temperatures and pressures using transition state theory, RRKM, and master equation. Model parameters were adjusted to reproduce experimental data. Modified Arrhenius expressions are presented for individual pressures of 60, 120, and 240 Torr. The quoted expression is for the overall reaction at 60 Torr.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1600 6.85E3
1650 1.19E4
1700 1.96E4
1750 3.10E4
1800 4.71E4
1850 6.92E4
1900 9.85E4
1950 1.36E5
2000 1.83E5
2050 2.40E5
2100 3.08E5
2150 3.87E5
2200 4.77E5