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The scattering cross-sections and reaction rate coefficients are crucial parameters for elucidating the energy transfer mechanism of state-to-state collisions between molecular gases and also serve as a fundamental basis for modeling the non-equilibrium flow field. However, the database of kinetic processes related to nitrogen shock flows is still being developed. In this work, a detailed kinetic study of the N2+O2 collision is carried out by combining the quasi-classical trajectory method (QCT) and neural network model (NN). Firstly, QCT is used to calculate 90 N2(v)+O2(w) processes with various initial vibrational states (v,w), and the contributions of all vibrational excitation and dissociation reaction channels are discussed. The following conclusions were drawn: i) the contributions of the vibration-vibration (VV) energy exchange channel of O2 and N2 are similar, while the vibration-translational (VT) transition mainly occurs on O2; and ii) the total dissociation cross-section primarily results from the O2 single-dissociation channel, followed by the exchange-dissociation channel, with relatively minor contributions from the N2 single- and double-dissociation channels. Then, based on the QCT dataset, a high-performance NN model (R-value of 0.99) is trained to predict the total dissociation cross-section caused by N2(v)+O2(w) collisions. Compared to the method using only QCT, the computational cost is reduced by approximately 91.94%. Finally, to facilitate use in kinetic modeling, Arrhenius-type fits for the VV/VT rate coefficients are provided over the temperature range of 5000-30000K, and an exponential form related to the translational energy Et was used to fit the total dissociation cross-section.
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Keywords:
- State-to-state reaction rate coefficient /
- Vibration relaxation /
- Collision dissociation /
- Neural network model
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