The action mechanism of combustion intermediates and free radicals on nitrogen oxides have been evaluated. Based on chemical reaction dynamics and modern statistical theory, the subject was investigated by means of numerical simulation. A wide water/oil ratio and a wide air/fuel ratio were also taken into account. Some main conclusions were drawn that the reaction response of H 2 O 2 is lagged behind, with the increase of water mass fraction from 10% to 30%. The maximum generation rate is 2.77%, 5.67%, 8.38% and the maximum consumption rate is 3.55%, 6.80%, 13.01% lower than that without water. Water addition leads to decline of the maximum generation rate of NO, N 2 O, NO 2 by 15.24%, 9.21%, 14.78% on average. Further, the saliency factor is explored in the main reaction process depending on the correlation analysis and the sensitivity analysis method. According to the degree of the significance, OH > O > H 2 for NO, O > H 2 > OH > HO 2 for N 2 O, and OH > H 2 > O > H 2 O 2 > HO 2 for NO 2. In the case of oil-water blended, H + O 2 <=> O + OH and H 2 O 2 (+M) <=> 2OH(+M) promote the generation of OH and O at the beginning of the second stage, but H + O 2 (+M) <=> HO 2 (+M), HO 2 + OH <=> H 2 O + O 2 , H 2 O 2 + OH <=> H 2 O + HO 2 play an inhibitory role in the generation of OH and O.