Thermal rate constant for the C(3P) + OH(X2Π) → CO(X1Σ) + H(2S) reaction using stochastic energy grained master equation method

Abstract

AbstractIn the present work, the kinetic mechanism of the reaction is studied. The rate constants were determined using the Master Equation Solver for Multi‐Energy Well Reactions (MESMER). The master equation modeling was also employed to examine the pressure dependence for each pathway involved. The theoretical analysis shows that the overall rate coefficient is practically independent of pressure up to 100 Torr for the temperature range 125‐500 K. The unusual dependence of the overall rate constant with temperature was fit with the d‐Arrhenius expression , where cm3molecule−1s−1, , and kJ·mol−1, for 125⩽ T ⩽ 500 K. The thermal rate constant results are in relatively good agreement with other theoretical studies.