ABSTRACTInvestigating coal combustion in a large-scale boiler using computational fluid dynamics (CFD) requires a combination of flow and reaction models. These models include a number of rate constants which are often difficult to determine or validate for particular coals or furnaces. Nonetheless, CFD plays an important role in developing new combustion technologies and improving the operation. In this study, the model selection and rate constants for coal devolatilization, char conversion, and turbulent reaction were evaluated for a commercial wall-firing boiler. The influence of devolatilization and char reaction models was found not significant on the overall temperature distribution and heat transfer rate. However, the difference in the flame shapes near the burners were noticeable. Compared to the coal conversion models, the rate constant used for the eddy dissipation rate of gaseous reactions had a larger influence on the temperature and heat transfer rate. Based on the operation data, a value for the rate constant was recommended.