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In view of the formation process of nitrogen oxide in the vertical flue of coke oven, a three-dimensional steady-state mathematical model of heat transfer, mass transfer and combustion process was established, and the numerical method was used to solve the problem. The effects of exhaust gas circulation ratio, preheating temperature of blast furnace gas and air and the blending ratio of coke oven gas on the NOXgeneration characteristics were studied. The above parameters were further optimized to the model that was applied to 6-m coke oven of Ansteel. The results show that the numerical simulation results are in good agreement with theoretical combustion temperature and the NOXemission data of 6-m coke oven in Ansteel. Through the optimization scheme, the preheating temperature of gas and air is the most significant one, followed by ratio of exhaust gas circulation and coke oven gas blending. The optimized model is applied to 6 m coke oven of Ansteel, and the average content of NOXin the exhaust gas is reduced from 364 to 228 mg/m3, with good effect.