Quasiclassical trajectory calculations of vibrationally specific dissociation cross-sections and rate constants for the reaction O+O2(v)->3O
Academic Article
Publication Date:
2002
abstract:
Complete sets of dissociation cross-sections for the process O+O2(v)->3O for
different rotational temperatures have been calculated by using a quasi-classical
trajectory method, in the range 0.001-3 eV of translational energy. The strategy
adopted to reduce as much as possible the huge amount of calculations is
described. Globally our results appear in good agreement with respect to thermal
experimental data available, with a simple approximation method for treating
multiple surface problem, considering dissociated all quasi-bound states.
different rotational temperatures have been calculated by using a quasi-classical
trajectory method, in the range 0.001-3 eV of translational energy. The strategy
adopted to reduce as much as possible the huge amount of calculations is
described. Globally our results appear in good agreement with respect to thermal
experimental data available, with a simple approximation method for treating
multiple surface problem, considering dissociated all quasi-bound states.
Iris type:
01.01 Articolo in rivista
Keywords:
Atom-Molecule; Cross-sections; Ozone; QCT
List of contributors:
Esposito, Fabrizio
Published in: