A Theoretical Study of the N₂ + H₂ Reactive Collisions for High Vibrational and Translational Energies

High translational temperatures appear in the air inside the shock waves layers created by relatively large meteorites, reentry space vehicles, and hypersonic missiles. Under these conditions, reactions between molecular nitrogen and hydrogen are energetically permitted. In the present work, a quasiclassical trajectories study of the N2(v′)+H2(v″) reaction for relative translational energies covering the range of translational energy 20.0≤Etr/kcalmol−1≤120.0 is presented. In the calculations, several values of vibrational quantum numbers v′=0,4,6,8,10,12 and v″=4,6,8,10,12 have been considered. To model the interatomic interactions, a six-dimension global potential energy surface for the ground electronic state of N2H2 was used. The specific initial state reaction cross-sections and rate coefficients are reported. The energy effects produced by the reaction that could influence the shock wave modeling are here considered. An analysis of the possible impact of these processes under the atmospheric composition is also presented