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Applied Chemicals and Materials Division

Reaction:   2-Methylfuran → Products
Reaction order:   1
Temperature:   1600 - 2200 K
Pressure:  0.16 bar
Rate expression:   1.3x10³³ [s^-1] (T/298 K)^-18.09 e^{-488508 [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 120 Torr.

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Rate constant values calculated from the Arrhenius expression: