화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.108, No.41, 8721-8730, 2004
Dynamics study of the O+HO2 reaction using two DMBE potential energy surfaces: The role of vibrational excitation
We investigate the effect of vibrational excitation on the dynamics and kinetics of the atmospheric reaction O(P-3) + HO2 --> OH + O-2 using two double many-body expansion potential energy surfaces previously reported. The results show that such an effect is relatively minor even considering HO2 with contents of vibrational excitation close to the H + O-2 dissociation asymptote. It should therefore not bear drastic implications in atmospheric modeling where such an effect has been ignored thus far.