Fenton reaction is an important method to remove NO from flue gas. •OH radicals generated in the Fenton reaction can effectively oxidize NO to NO2, which is absorbed and removed by alkali sorbent. To supply guidance for engineering research, numerical simulation of NO oxidation by •OH radical clusters in flue gas has been carried out using Fluent software. The average concentration of NO on the cross sections at various positions of a cylindrical pipe with a circular surface was calculated by simulation. Under various working conditions (temperature, •OH/NO molar ratio, NO concentration in flue gas, and jet velocity), NO oxidation efficiency by •OH radical was simulated and the key factors affecting NO oxidation were analyzed. The results show that temperature and •OH/NO molar ratio are the key factors affecting the oxidation of NO by •OH radicals. The injection velocity has also a significant effect on the oxidation efficiency while the moisture and oxygen content are minor factors influencing the process. The optimum oxidation efficiency of NO is obtained at 473–523 K, the molar ratio of •OH/NO ca. 1.4, the jet velocity 10 m/s, and the flue gas velocity of 3 m/s.
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