The reaction probability and the reaction cross-section of the N(4S)+O₂(X 3 S_g-)®{{^{3} Sigma_{g}^{-})to }} NO(X2Π)+O(3P) reaction

摘要

We have presented the reaction probability and the reaction cross-section of the N(4S)+O₂(X3 S_g-)®{^{3} Sigma_{g}^{-})to } NO(X2Π)+O(3P) reaction by the quasi-classical trajectory (QCT) method with the fourth-order explicit symplectic algorithm (S4), based on a new ground potential energy surface. The variation of the reaction probability with the impact parameter has been analyzed in detail. And the effect of the relative translational energy, the vibrational and rotational level of O₂ molecule in the reaction cross-section of the reaction has been discussed. It has been documented by the comparison that the reaction probability and the reaction cross-section of the reaction determined in this work are more reasonable than those reported by Gilibert et al. because of employing the new ground potential energy surface and the S4 in the QCT calculation of this work.