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Grate boilers are widely applied in biomass combustion for heat and energy generation. However, grate-firing systems often suffer from low efficiency and high emission. Computational fluid dynamic (CFD) becomes increasingly popular as a flexible method to obtain the detailed combustion behaviors in the furnace, and to optimize the performance of existing grate boilers. This paper presents efforts toward a reliable baseline CFD model for an industrial biomass-fired grate boiler, where the structure of the fuel-bed was sufficiently considered. The combustion performances in the furnace were investigated experimentally and numerically by coupling the fuel bed and freeboard, to clarify the impact of bed structure on the simulation accuracy. Results show that when the bed structure has been taken into account, the predictions are in better agreement with the various measurements, as the deviations between them are all within 10 %. Moreover, the flame center drops, the total heat transferred to the water-cooled walls increases, and the residence time of flue gas is greatly prolonged from 2.76 s to 3.90 s, resulting in a distinct difference of the temperature and species patterns in the freeboard. The simulations will provide valuable theoretical guidance for the accurate modeling of grate-fired boiler. [Display omitted] • A baseline model is proposed for accurate modeling of biomass-fired grate boiler. • Effect of fuel-bed structure on the simulation of grate boiler is clarified in detail. • Bed structure greatly affects the predicted temperature and species patterns. • Flue gas residence time and heat transfer are also highly impacted by bed structure. [ABSTRACT FROM AUTHOR]