Computational study on the reaction collisions for the state-to-state process of N(4 S)+NO(2Π)→O(3 P)+N2(X 1Σ+ g)

Abstract

Quasi-classical trajectory method has been employed in the theoretical calculations for the state-to-state processes of the reaction N(4 S)+NO(2Π)→O(3 P)+N2(X 1Σ+ g) over a temperature range of 300 K ≤ T ≤ 10,000 K on Global triplet potential energy surface (PES) for N2O system. The thermal rates calculated for the N + NO→O + N2 reaction show a great agreement with the previous theoretical and experimental results. The results obtained herein fill the gaps in the existing data for the state-to-state processes in the N2O system and could be applied to large temperature ranges relevant to the model of hypersonic gas flows. In addition, the vibrational relaxation rate coefficients of the non-reactive collision between N atom and NO molecule in the low vibrational excited state were calculated and reported.