Fuel, Vol.252, 821-831, 2019
Simulating volatiles conversion in dense burning coal suspensions. 1. Validation of chemical reaction mechanisms
The fuels that burn in dense coal suspensions are mixtures of CH4, C2H2, H-2, CO, HCN, and H2S, char, and soot. All these fuels except soot effectively compete for the available O-2 throughout volatiles conversion, which significantly affects N-species transformations. This simulation study validates a collection of detailed reaction mechanisms that accurately interprets how coal quality and inlet O-2 level affect all the major reactants, intermediates, and products, including N-species, within dense burning coal suspensions. Predicted flame structures are generally within measurement uncertainties for three diverse coals and inlet O-2 levels from 2 to 15%, provided that the kinetics for tar decomposition into soot, CO, H-2, and gaseous hydrocarbons are implemented in a particular way. Tar decomposition kinetics should always be evaluated at the particle thermal history to ensure that they keep pace with primary devolatilization so that gaseous hydrocarbons can mediate HCN conversion into NO under locally reducing atmospheres. Moreover, gaseous hydrocarbons that would otherwise add to soot during the later stages in inert atmospheres should be burned in the free stream along with other noncondensable fuel components, again, to mediate NO production under reducing conditions. However, radical scavenging and heterogeneous NO reduction on soot appear to be superfluous. These findings reveal an important qualification on the limiting scenario for complete mixing of volatiles into an entrainment stream before they are converted: Tars must coalesce into soot in the immediate vicinity of their parent particles even while noncondensable fuels are fully dispersed across an entrainment stream; otherwise, hydrocarbons, H-2, and CO will be unavailable to mediate HCN decomposition into NO.