Computational Study of NOx Formation at Conditions Relevant to Gas Turbine Operation, Part 2: NOx in High Hydrogen Content Fuel Combustion at Elevated Pressure

Abstract

Part 1 (10.1021/acs.energyfuels.6b00420) of this two part series presented a computational study of NOx formation during methane and ethylene combustion, representative of small fuel fragments present in natural gas and chemical processing. The influence of fuel chemistry, reaction temperature history, and inert dilution was examined using popular models present in the literature. The present work extends the study to hydrogen-rich conditions to remove the fuel variability dependency of NOx and identify possible inconsistencies in predicting NOx during high hydrogen content fuel combustion. A comprehensive chemical kinetic model is proposed consisting of CO/H2/NOx oxidation with the full implementation of thermal, N2O, and NNH paths of NOx evolution. Predictions from the model are compared against multiple experimental data sets over a wide range of venues and operating conditions. The experimental venues include shock tube, plug flow reactor, and stirred reactor experiments that cover pressures from 1 to...