A physics-based approach to modeling real-fuel combustion chemistry – VII. Relationship between speciation measurement and reaction model accuracy

The HyChem (hybrid chemistry) approach has been proposed recently for modeling high-temperature combustion of real, multicomponent fuels. combines lumped reaction steps fuel thermal and oxidative pyrolysis with detailed chemistry oxidation the resulting products. 14 independent model parameters in are determined by matching time histories key products fuel, obtained notably from Stanford shock tube laser diagnostics facilities, flow reactor experiments. prediction accuracy depends on availability speciation data their accuracy. In present work, we carry out comprehensive Monte Carlo analysis predictions respect to species measurement using Jet A as test case. We assess impact measured products, including ethylene (C2H4), methane (CH4), propene (C3H6), iso-butene (i-C4H8), 1-butene (1-C4H8), benzene (C6H6), toluene (C7H8) ignition delay laminar flame speed cases. results show that necessary obtain reliable at above 1200 K. Additional targets (e.g., CO CH2O) future development, especially improving time.