Detailed Reaction Mechanism for the Combustion of Hydrogen and Syngas

A detailed reaction mechanism for the oxidation of hydrogen and syngas in freely propagating and burner-stabilized premixed flames as well as shock-tube, jet-stirred reactor, and plug-flow reactor experiments is developed. The H2/CO kinetic model is validated against experimental data from literature which include 87 sets of laminar flame speed, 39 sets of ignition delay times from shock tubes, 16 sets species concentrations in JSRs, 27 sets of species concentrations in PFRs, 8 sets of species concentrations in BSF and 4 sets of species concentrations in shock tube experiments. The rate parameters adopted to develop the detailed chemical kinetic mechanism of H2 and CO is mostly based on the recommendations of Baulch et al. 2005 (Journal of Physical and Chemical Reference Data 34, 757 (2005). https://doi.org/10.1063/1.1748524). This mechanism was developed in parallel to the ammonia mechanism (Detailed Kinetic Mechanism for the Oxidation of Ammonia Including the Formation and Reduction of Nitrogen Oxides. Energ Fuels 2018;32:10202−10217. doi:10.1021/acs.energyfuels.8b01056)