On the E ciency of Collisional O2 + N2 Vibrational Energy Exchange

1 By following the scheme of the Grid Empowered Molecular Simulator (GEMS) a 2 new O2 + N2 intermolecular potential, built on ab initio calculations and experimental 3 (scattering and second virial coe cient) data, has been coupled with an appropriate 4 intramolecular one. On the resulting potential energy surface detailed rate coe cients 5 for collision induced vibrational energy exchanges have been computed using a semi6 classical method. The crossed comparison of the computed rate coe cients with the 7 outcomes of previous semiclassical calculations and kinetic experiments has provided a 8 ground for characterizing the main features of the vibrational energy transfer processes 9 of the title system as well as a critical reading of the trajectory outcomes and kinetic 10 data. On the implemented procedures massive trajectory runs for the proper interval 11 of initial conditions have singled out structures of the vibrational distributions useful 12 to formulate scaling relationships for complex molecular simulations. 13