CO and H2O time-histories in shock-heated blends of methane and ethane for assessment of a chemical kinetics model

Methane and ethane are the two main components of natural gas and typically constitute more than 95% of it. In this study, a mixture of 90% CH4/10% C2H6 diluted in 99% Ar was studied at fuel lean (equiv. ratio = 0.5) conditions, for pressures around 1, 4, and 10 atm. Using laser absorption diagnostics, the time histories of CO and H2O were recorded between 1400 and 1800 K. Water is a final product from combustion, and its formation is a good marker of the completion of the combustion process. Carbon monoxide is an intermediate combustion species, a good marker of incomplete/inefficient combustion, as well as a regulated pollutant for the gas turbine industry. Measurements such as these species time histories are important for validating and assessing chemical kinetics models beyond just ignition delay times and laminar flame speeds. Time-history profiles for these two molecules were compared to a state-of-the-art detailed kinetics mechanism as well as to the well-established GRI 3.0 mechanism. Results show that the H2O profile is accurately reproduced by both models. However, discrepancies are observed for the CO profiles. Under the conditions of this study, the CO profiles typically increase rapidly after an induction time, reach a maximum, and then decrease. This maximum CO mole fraction is often largely over-predicted by the models, whereas the depletion rate of CO past this peak is often over-estimated for pressures above 1 atm.This work was funded in part by a Graduate Research Fellowship, NSF grant DGE-1252521 and by the TEES Turbomachinery Laboratory