中文摘要：

以E—R机制为动力学基础，建立了选择性催化还原（selective catalytic reduction，SCR）催化剂单孔道一维数学模型，用于模拟SCR催化剂孔道内的反应进程。模型同时还考虑了氨氧化的副反应以及孔道内反应的热效应。经过模拟结果和实验结果对照，证明了模型的合理性。利用模型计算了孔道内的浓度和温度分布、不同运行参数对NO转化率的影响，及催化剂孔大小与孔形状对脱硝效率的影响。模拟计算结果表明，沿孔道方向反应物浓度逐渐降低，而温度略有提高；在反应温度为320～380℃、氨氮比为1．0～1．05和空速为3200h^-1的运行条件下，单孔道SCR的NO转化率能达到65％以上；另外，通过对孔形状和孔大小的模拟计算发现，催化剂孔节距应设计小于10mm为宜，而催化剂选用蜂窝式较板式和波纹板式具有更高的NO转化率。

英文摘要：

Based on Eley-Rideal kinetic mechanism, the one dimensional mathematical model for （selective catalytic reduction, SCR） catalyst was established, to simulate the selective catalytic reduction process in the catalyst channel. The side effect of ammonia oxidation and the thermal effect on the reaction in the channel were considered simultaneously in the modeling. The model was testified to be reliable by compared with the experimental data. By the model, the concentration and temperature distributions in the channel were calculated. The effects of different operation parameters, the pitch and the shape of catalyst channel on De-NOx efficiency were also studied. It was shown that the concentration of reactants decreased along the channel direction, but the temperature increased slightly. According to the calculated results, the SCR de-NOx efficiency for the single channel can reach over 65%, for the operating condition of temperature 320-380℃, NH3/NO feed ratio 1.0-1.05, and gas hourly space velocity 3 200 h^-l. Besides, the pitch of catalyst should be designed less than 10mm; the honeycomb catalyst was of the higher de-NOx efficiency by the comparison of three types of catalyst.