Generating simplified ammonia reaction model using genetic algorithm and its integration into numerical combustion simulation of 1 MW test facility

Abstract

A small reaction model for ammonia is necessary for the design and development of large-scale ammonia combustion systems using computational fluid dynamics (CFD) simulation. The present study generated a simplified reaction model for ammonia using a genetic algorithm (14 species and 45 reactions). Optimization was applied to reproduce the combustion properties of ignition delay times, mole fractions of ammonia and nitric oxide at the exit of a single perfectly stirred reactor (PSR), those of a two-staged PSR, and laminar flame speed. The generated simplified reaction model for ammonia was applied to combustion CFD simulation for a 1 MW boiler test facility. Results of CFD simulation reproduced the characteristics of two-staged combustion well. Nitrous oxide emissions predicted by the simulation agreed well with experimental results.