A computational fluid dynamics (CFD) model is proposed to simulate urea hydrolysis for ammonia synthesis as a safe feed stock to flue gas conditioning in thermal power plants. A series of parametric studies to investigate flow rates, thermal boundary conditions, and reactor geometry was performed and operating conditions and reactor geometry were optimized. Detailed 3D flow, heat, and chemistry simulations of ammonia were carried out with predicted conversions comparable to measurements and the dependence of the experiments on the reaction parameters was evaluated. Through simulation under the same conditions the output was generated and compared to the experimental plot. Profiles of temperature and flow patterns were successfully achieved through simulation.