Abstract
ABSTRACT This study formulates a global NOX submodel for deployment in CFD simulations from a database on flames of three diverse coals at pressures to 3.0 MPa for broad ranges of stoichiometric ratio (S.R.). A new reaction scheme was formulated from a sensitivity analysis of simulations based on detailed reaction mechanisms for all tests. It shares many elements in common with commercial submodels, yet it correctly predicts that (1) less coal-N is converted into NO; and (2) HCN persists to higher S.R. for progressively higher pressures. Explicit dependences on O2 concentrations are responsible for the first feature, because the variations in O2 concentrations mimic the ways that the oxyhydroxyl radical pool shrinks at progressively higher pressures, which shifts HCN conversion toward N2 production. The second feature was depicted by resolving the intermediate products of HCN decomposition in the global scheme. Discrepancies surfaced when the new submodel was applied to different coals without re-adjusting rate parameters, which probably reflects a generic limitation of global NOX production submodels for coal combustion.
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