Kinetic modeling of the CH3 + C2H2 reaction data with sensitivity analyses

Kinetic modeling and sensitivity analyses for the reaction CH3 + C2H2 → CH3C2H2 (4) have been performed according to the experimental conditions and results of Mandelcorn and Steacie, Garcia Dominguez and Trotman–Dickenson, and Holt and Kerr. The kinetically modeled results show that Mandelcorn and Steacie overestimated the rate constant of reaction (4) whereas Garcia Dominguez and Trotman-Dickenson underestimated it, and that there could be significant uncertainty in the steady-state treated results of Holt and Kerr. Reanalysis of Garcia Dominguez and Trotman–Dickenson's experimental data by kinetic modeling with the proper mechanism gives a more reliable rate constant for reaction (4). The improved rate constant (k4) is in good agreement with our theoretically predicted values. © 1995 John Wiley & Sons, Inc.