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Title: An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 Isomers
Journal: J. Phys. Chem. A
Volume: 121
Page(s): 3827 - 3850
Year: 2017
Reference type: Journal article
Squib: 2017LOC/GOL3827-3850
Reaction:
1,2-butadiene → ·CH3 + ·CH2C≡CH
Reaction order:
1
Temperature:
1000 - 2200
K
Pressure: 0.16 bar
Rate expression:
1.22x1058 [s-1] (T/298 K)-39.63 e-753957 [J/mole]/RT
Uncertainty:
1.5
Category: Theory
Data type:
Derived from fitting to a complex mechanism
Pressure dependence:
Rate constant is pressure dependent
Experimental procedure:
Shock tube
Excitation technique:
Thermal
Time resolution:
In real time
Analytical technique:
Laser schlieren
Comments:
Error in the assigned rate coefficient is estimated at ±50%.
View full bibliographic record.
Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [s-1] |
|---|---|
| 1000 | 7.38E-3 |
| 1100 | 6.43E-1 |
| 1200 | 1.97E1 |
| 1300 | 2.76E2 |
| 1400 | 2.13E3 |
| 1500 | 1.04E4 |
| 1600 | 3.52E4 |
| 1700 | 8.94E4 |
| 1800 | 1.80E5 |
| 1900 | 2.99E5 |
| 2000 | 4.26E5 |
| 2100 | 5.34E5 |
| 2200 | 6.01E5 |