Adequately mixing of reactants is an important factor for efficient deNOx process in power station NOx emission control system. In this study, an experimental validated CFD simulation is conducted to investigate the effect of spray operation conditions on the mixing uniformity of reactant ammonia vapor in deNOx process occurring in a power station’s furnace. According to the CFD simulation results, it is found that spray momentum ratio, initial droplet size and initial ammonia concentration all affect the mixing uniformity of ammonia vapor. Overall, a larger spray momentum ratio, larger initial droplet size and lower ammonia concentration contributes positively to the mixing uniformity. By comparing the same spray momentum ratio but different nozzle inlet velocity and furnace inlet velocity, it is found that the impact of spray momentum ratio mainly comes from furnace inlet velocity not nozzle inlet velocity. In addition, gravity should not be neglected. In the end, the method described in this study could provide a systematic way to study the effects of nozzle operation conditions on deNOx process.