화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.105, No.31, 7435-7440, 2001
Dynamics study of the OH+O-2 branching atmospheric reaction. 3. Dissociation in collisions of vibrationally excited reactants
We discuss the dissociation of the OH radical in the title molecular collisions when both species are vibrationally excited. An analysis of the O-2 dissociation is also reported. All calculations employed the quasiclassical trajectory method and a realistic double many-body expansion (DMBE) potential energy surface for groundstate HO3. The results are compared with those referring to formation of HO2 and O-3 under similar conditions. Possible implications on atmospheric models for ozone production are tentatively assessed.