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Author(s):   Eiteneer, B.; Frenklach, M.
Title:   Experimental and Modeling Study of Shock-Tube Oxidation of Acetylene
Journal:   Int J. Chem. Kinet.
Volume:   35
Page(s):   391 - 414
Year:   2003
Reference type:   Journal article
Squib:   2003EIT/FRE391-414

Reaction:   1,3-Butadiyne + → CH2C(·)CCCH
Reaction order:   2
Temperature:   1150 - 2130 K
Pressure:  0.91 - 1.93 bar
Rate expression:   3.68x10-6 [cm3/molecule s] (T/298 K)-4.92 e-45189 [J/mole]/RT
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:   IR absorption
Comments:   No direct measurements of rate constants. Rate constants reported are either from estimates or optimization fits. Enthalpies of formation were also allowed to be varied in fits. This paper is combined experimental and modeling. These measurements consist of shock tube oxidation of C2H2 at temperatures of 1150-2130 K, pressures of 0.9-1.9 atm in Argon, with lean to rich conditions (Phi = 0.06 to 1.7). CO produced was detected using CO laser absorption at 2077.1 cm-1

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1150 4.24E-11
1200 4.19E-11
1250 4.11E-11
1300 4.00E-11
1350 3.88E-11
1400 3.75E-11
1450 3.61E-11
1500 3.46E-11
1550 3.31E-11
1600 3.16E-11
1650 3.01E-11
1700 2.86E-11
1750 2.72E-11
1800 2.58E-11
1850 2.45E-11
1900 2.32E-11
1950 2.19E-11
2000 2.08E-11
2050 1.97E-11
2100 1.86E-11
2130 1.80E-11