Thermal Rate Constants of the N(⁴S)+O₂(X³Σ_g^-) → NO(X²II) +O(³P) Reaction on the ²A’ Potential Energy Surface

A quasiclassical trajectory study with the sixth-order explicit symplectic algorithm for the N(⁴S)+O₂(X³Σ_g^-) → NO(X²II) +O(³P) reaction has been reported by employing a new ground potential energy surface. We have discussed the influence of the relative translational energy, the vibrational and rotational levels of O₂ molecules on the total reaction cross section. Thermal rate constants at temperatures 300, 600, and 1000K determined in this work for the reaction are 4.4×10⁷, 1.8×10¹⁰, and 3.1 10¹¹cm³mol^-1s^-1, respectively. It is found that they are in better agreement with the experimental data than previous theoretical values.