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.

Quasiclassical trajectory calculations of vibrationally specific dissociation cross-sections and rate constants for the reaction O+O2(v)->3O

Esposito F;
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.
2002
Istituto di Nanotecnologia - NANOTEC
Atom-Molecule
Cross-sections
Ozone
QCT
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/38359
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