NIST Chemical Kinetics Database

Author(s):   Li, J.; Kazakov, A.; Dryer, F.L.
Title:   Experimental and numerical studies of ethanol decomposition reactions
Journal:   J. Phys. Chem. A
Volume:   108
Page(s):   7671 - 7680
Year:   2004
Reference type:   Journal article
Squib:   2004LI/KAZ7671-7680

Reaction:   C₂H₅OH → ·CH₃ + (·)CH₂OH
Reaction order:   1
Temperature:   300 - 2500 K
Rate expression:   1.54x10¹⁸ [s^-1] (T/298 K)^-1.93 e^{-373237 [J/mole]/RT}
Category: Review
Data type:   Experimental value and limited review
Pressure dependence:   Rate constant is high pressure limit
Comments:   The authors used a variable pressure flow reactor to study ethanol pyrolysis at 1.7-3.0 atm and 1045-1080 K in the presence of radical chain inhibitor. Rate constants were presented graphically but the numerical results from the experiments were NOT reported.

The authors used their data together with that from the literature to perform a master equation multi-channel RRKM analysis and derive the reported rate constants based on their model.

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
300	1.58E-47
400	1.60E-31
500	5.81E-22
600	1.29E-15
700	4.19E-11
800	9.81E-8
900	3.99E-5
1000	4.77E-3
1100	2.35E-1
1200	5.95E0
1300	9.06E1
1400	9.26E2
1500	6.87E3
1600	3.94E4
1700	1.82E5
1800	7.08E5
1900	2.37E6
2000	7.00E6
2100	1.85E7
2200	4.48E7
2300	9.99E7
2400	2.07E8
2500	4.05E8