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Author(s):   Sivaramakrishnan, R.;Tranter, R.S.;Brezinsky, K.
Title:   High pressure pyrolysis of toluene. 1. Experiments and modeling of toluene decomposition
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   9388 - 9399
Year:   2006
Reference type:   Journal article
Squib:   2006SIV/TRA9388-9399

Reaction:   Toluene·CH3 + Phenyl
Reaction order:   1
Temperature:   1027 - 1897 K
Rate expression:   4.07x1016 [s-1] e-408555 [J/mole]/RT
Category:  Theory
Data type:   Derived from detailed balance/reverse rate
Pressure dependence:   Rate constant is high pressure limit
Comments:   Rate constant values were determined from combinig theoretical rate constanst for the reverse reaction and critically evaluated value of reaction enthalpy.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1027 6.76E-5
1050 1.93E-4
1100 1.62E-3
1150 1.13E-2
1200 6.70E-2
1250 3.44E-1
1300 1.56E0
1350 6.34E0
1400 2.32E1
1450 7.80E1
1500 2.41E2
1550 6.94E2
1600 1.87E3
1650 4.74E3
1700 1.14E4
1750 2.60E4
1800 5.67E4
1850 1.19E5
1897 2.29E5