화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.111, No.25, 5349-5352, 2007
Differential and integral cross sections for the H+O-2 -> OH+O combustion reaction
We present accurate differential and integral cross sections for the H + O-2 -> OH + O reaction obtained on a newly developed ab initio potential energy surface using time-independent and time-dependent quantum mechanical methods. The product angular distributions near the reaction threshold show pronounced forward and backward peaks, reflecting the complex-forming mechanism. However, the asymmetry of these peaks suggests certain nonstatistical behaviors, presumably due to some relatively short-lived resonances. The integral cross section increases monotonically with the collision energy above a reaction threshold.