• Title of article

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

  • Author/Authors

    Lino da Silva، نويسنده , , M. and Loureiro، نويسنده , , J. and Guerra، نويسنده , , V.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2012
  • Pages
    6
  • From page
    28
  • To page
    33
  • 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 = 100–1 00 000 K. 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 = 4 Å - 1 and E = 380 K 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.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2012
  • Journal title
    Chemical Physics Letters
  • Record number

    1932840