For the optimal design of the selective non-catalytic reduction (SNCR) for a 600MW W-flame boiler, the SNCR process was simulated through method of chemical kinetics analysis and fluid dynamics analysis. The design temperature, de-nitrification efficiency in theory, position of spray gun and other parameters were determined and 46% de-nitrification rate was finally obtained. Chemical kinetics analysis, without considering the effect of reducing agent mixed with NOx, the theoretical efficiency is higher. Fluid dynamics analysis, taking into account the effect of mass transfer, the de-nitrification efficiency is lower than the theoretical value. In practical engineering, the mixed mass transfer is an important factor affecting the efficiency of SNCR. (CSPE)

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