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Author(s):   Whelan, C.A.; Eble, J.; Mir, Z.S.; Blitz, M.A.; Seakins, P.W.; Olzmann, M.; Stone, D.
Title:   Kinetics of the Reactions of Hydroxyl Radicals with Furan and Its Alkylated Derivatives 2-Methyl Furan and 2,5-Dimethyl Furan
Journal:   J. Phys. Chem. A
Volume:   124
Page(s):   7416 - 7426
Year:   2020
Reference type:   Journal article
Squib:   2020WHE/EBL7416-7426

Reaction:   2-Methylfuran + ·OH → 2-methyl-2-hydroxy-oxocyclopent-4-en-3-yl
Reaction order:   3
Temperature:   300 - 1300 K
Pressure:  1.00E11 - 1.00E16 bar
Rate expression:   4.5x10-21 [cm6/molecule2 s] (T/298 K)-12.48
Category:  Experiment
Data type:   RRK(M) extrapolation
Pressure dependence:   Rate constant is low pressure limit
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   Laser induced fluorescence
Comments:   Master equation modeling was performed using experimental data from this work and from the literature. Model was fitted to the experimental data. The quoted expression is the result of Troe fit to master equation simulation for the addition channel.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm6/molecule2 s]
300 4.14E-21
400 1.14E-22
500 7.05E-24
600 7.25E-25
700 1.06E-25
800 2.00E-26
900 4.60E-27
1000 1.23E-27
1100 3.76E-28
1200 1.27E-28
1300 4.67E-29