State-to-State Transition Study of the Exchange Reaction for N(S) and O(XΣ) Collision by Quasi-Classical Trajectory.

Based on the new A' and A' potential energy surfaces of NO fitted by Varga et al., we conducted a quasi-classical trajectory study on the N(S) +O(XΣ ) → NO(Π) + O(P) reaction, focusing on the high vibrational state up to ν = 25. For different rovibrational states of O, within the relative translational energy () range of 0.1-30 eV, the total exchange cross section (ECS) is calculated, and it is found that the initial relative translational energy and vibration excitation have a significant effect on ECSs, while rotational excitation has little influence; the rate coefficient of the high rovibrational state of O molecules at high temperatures is studied, and it is found that when the vibrational level ν of O is in the range of 0-15, the value of log (, ν, ) with the vibrational level ν is almost linear, while when ν is greater than 15, it becomes gentle with the increase in ν. Finally, the state-to-state rate coefficients are calculated; our results supply the advantageous state-to-state process data in the NO system, and they are useful for further studying the related hypersonic gas flow at very high temperature.