Abstract
The simulation strategy described in this paper provides an alternative to conventional computationalfluid dynamics (CFD) postprocessing to estimate exhaust NO x emissions. The method first analyzes a conventional CFD furnace simulation to specify temperature histories and mixing rates. Then the bulk flow patterns are represented with an equivalent network of idealized reactor elements. Detailed reaction mechanisms are then applied over the reactor network, including the most fully validated reaction mechanisms for coal devolatilization and char oxidation and complete elementary reaction mechanisms for chemistry in the gas phase and on soot. The analysis depicts all the important tendencies among the major intermediates and products from a selection of coals that spanned almost the entire rank spectrum under reaction conditions that spanned the domain of stoichiometric ratio in pulverized fuel flames, albeit in a lab-scale furnace. The main practical benefit of the mechanistic complexity is that simulations based on detailed mechanisms require far fewer parameter adjustments than conventional CFD simulations whenever different fuels are considered.
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