A multiquantum dataset for vibrational excitation and dissociation in high-temperature O2–O2 collisions

Abstract

The Forced Harmonic Oscillator (FHO) model is applied to the production of a multiquantum dataset of V–T and V–D rates for O2–O2 collisions, for T=100–100000K. A simplified 1D O2–O2 intermolecular potential, accounting for long-range interactions, has been obtained through comparison of FHO and reference state-specific rates. A Morse potential with parameters α=4Å-1 and E=380K provides the best fit between those. This potential has then been applied to the production of the overall multiquantum V–T and V–D rates, considering 47 vibrational levels. The resulting thermal dissociation rates agree remarkably well with experimental dissociation rates.