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Author(s):   Peukert, S.; Naumann, C.; Braun-Unkhoff, M.
Title:   Formation of H-atoms in the Pyrolysis of 1,3-butadiene and 2-butyne: A Shock Tube and Modelling Study
Journal:   Z. Phys. Chem.
Volume:   223
Page(s):   427 - 446
Year:   2009
Reference type:   Journal article
Squib:   2009PEU/NAU427-446

Reaction:   1,3-ButadieneC2H4 + C2H2
Reaction order:   1
Temperature:   1500 - 1800 K
Pressure:  1.20 - 1.90 bar
Rate expression:   7.0x1012 [s-1] e-280763 [J/mole]/RT
Uncertainty:   1.3
Category:  Experiment
Data type:   Derived from fitting to a complex mechanism
Pressure dependence:   None reported
Experimental procedure:   Shock tube
Excitation technique:   Thermal
Time resolution:   In real time
Analytical technique:   Vis-UV absorption
Comments:   Rate constants are derived from simultaneous modeling of two sets of experimental data: those on the pyrolysis of 1,2-butadiene and on the pyrolysis of 2-butyne. The uncertainties are estimated at 30%.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1500 1.17E3
1525 1.69E3
1550 2.42E3
1575 3.42E3
1600 4.78E3
1625 6.61E3
1650 9.06E3
1675 1.23E4
1700 1.65E4
1725 2.21E4
1750 2.92E4
1775 3.83E4
1800 4.99E4