Computational modeling of CO/CO2 ratio inside single char particles during pulverized coal combustion

A recently developed model was used to study the CO/CO2 ratio inside a burning pulverized coal particle, to better understand the effect of bulk gas composition on the equilibrium partial pressure of reduced metal species at the surface of ash inclusions. The motivation was to improve the ability to model submicrometer particle formation by ash vaporization, as a function of furnace conditions. Assumptions for the CO/CO2 ratio that have been made in previous studies are compared to predictions from a pseudo-steady-state model for a single porous particle that considers homogeneous and heterogeneous reaction kinetics and mass transfer both in particle pores and in the boundary layer. This is the first publication of model predictions for the CO/CO2 ratio as a function of radius for a coal char particle in a furnace with a bulk gas CO2 concentration in the range of 0%?79%. A method is proposed for summarizing the effects on the CO/CO2 ratio that are due to changes in the bulk furnace gas O2 and CO2 concentration, furnace temperature, and particle size, using an empirical equation that is suitable for incorporation as a submodel into comprehensive computational fluid dynamics-based codes for combustion simulation. Trends from the model simulations show general agreement with experimental data; however, the accuracy of the predictions is limited by the lack of fuel-specific input data.