State-to-State Transition Study of the Exchange Reaction for N(⁴S) and O₂(X³Σ_g⁻) Collision by Quasi-Classical Trajectory

Based on the new ²A′ and ⁴A′ potential energy surfaces of NO₂ fitted by Varga et al., we conducted a quasi-classical trajectory study on the N­(⁴S) +O₂(X³Σ_g⁻ ) → NO­(²Π) + O­(³P) reaction, focusing on the high vibrational state up to ν = 25. For different rovibrational states of O₂, within the relative translational energy (<i>E</i>_c) 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 O₂ molecules at high temperatures is studied, and it is found that when the vibrational level ν of O₂ is in the range of 0–15, the value of log₁₀ <i>k</i>(<i>T</i>, ν, <i>j</i>) 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 NO₂ system, and they are useful for further studying the related hypersonic gas flow at very high temperature.