Kinetic Modeling of NOx Formation and Destruction and Combustibles Burnout

摘要

The report describes a model of the gas-phase chemistry involved in the combustion of simple hydrocarbon fuels and the interconversion of fixed nitrogen species. One focus of the work was on modeling the chemistry involved in reburning and other advanced NOx control strategies. A second focus was on the decay rate of various hydrocarbon species under high-temperature conditions. This provided an initial step toward the chemistry needed to model fuel burnout in small combustors; e.g., wood stoves. The approach was to compare rates for elementary reactions as represented in the different compilations available in the literature. Where inconsistencies appeared, the original literature on the rates was consulted. The mechanism was tested against benchmark data so that the key reactions that controlled any inconsistencies could be identified. Adjustments to the rates were allowed if they fell within the error bounds of the original determination.