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Title: Evaluated Site-Specific Rate Constants for Reaction of Isobutane with H and CH3: Shock Tube Experiments Combined with Bayesian Model Optimization
Journal: J. Phys. Chem. A
Volume: 122
Page(s): 9518 - 9541
Year: 2018
Reference type: Journal article
Squib: 2018MER/AWA9518-9541
Reaction:
Toluene + H· → Benzene + ·CH3
Reaction order:
2
Temperature:
870 - 1130
K
Pressure: 1.40 - 3.60 bar
Rate expression:
6.51x10-13 [cm3/molecule s] (T/298 K)2.20 e-16629 [J/mole]/RT
Uncertainty:
1.350000023841858
Category: Experiment
Data type:
Derived from fitting to a complex mechanism
Pressure dependence:
Rate constant is pressure independent
Experimental procedure:
Shock tube
Excitation technique:
Thermal
Time resolution:
By end product analysis
Analytical technique:
Gas chromatography
Comments:
The quoted uncertainty factor is for the preexponential factor only. A separate uncertainty factor for the activation energy is given in the article.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [cm3/molecule s] |
|---|---|
| 870 | 6.90E-13 |
| 875 | 7.08E-13 |
| 900 | 8.03E-13 |
| 925 | 9.05E-13 |
| 950 | 1.02E-12 |
| 975 | 1.14E-12 |
| 1000 | 1.26E-12 |
| 1025 | 1.40E-12 |
| 1050 | 1.55E-12 |
| 1075 | 1.70E-12 |
| 1100 | 1.87E-12 |
| 1125 | 2.05E-12 |
| 1130 | 2.08E-12 |