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
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