CRECK-S: a detailed kinetic mechanism for FCC regenerator flue gas oxidation (Cantera YAML)

CRECK-S — a detailed kinetic mechanism for FCC regenerator fluegas oxidation CRECK-S is a detailed chemical kinetic mechanism (209 species, 2816 reactions) for the combustion chemistry of FCC regenerator flue gas co-fired withnatural gas in an industrial CO boiler: C1-C4 hydrocarbon oxidation, HCN and NH3 chemistry, selective non-catalytic reduction (SNCR) by NH3 and bycyanuric acid, NO reburning, and sulfur (SO2/H2S) chemistry. Construction Base: CRECK C1-C3 high-temperature + NOx mechanism (Politecnico di Milano; Ranzi et al. 2012/2014, Bagheri et al. 2020, Song et al. 2019). - The HCNsub-mechanism (169 elementary + 7 pressure-dependent reactions) is updated to the kinetics of Glarborg et al. (2018): rate coefficients of commonreactions adopted, Glarborg-only reactions added, remaining CRECK reactions and the original H2-O2 kernel retained. - The sulfur sub-mechanism ofRavikumar et al. (2016) is incorporated, providing complete transport data for all sulfur species. File CRECK-S_mechanism.yaml — Cantera >= 2.6 YAML format, with thermodynamic and transport data for all 209 species. Usage import cantera as ctgas = ct.Solution('CRECK-S_mechanism.yaml')print(gas.n_species, gas.n_reactions) # 209 2816 Validation The mechanism is validated against jet-stirred-reactor, plug-flow-reactor and one-dimensional laminar-flame data covering HCN and NH3 oxidation,SNCR, reburning and SO2-doped CO/H2 oxidation at atmospheric pressure, phi = 0.5-2.0 and 800-1500 K. Full quantitative error tables (normalisedmean absolute error per mechanism, experiment and species) are reported in the companion paper: Elias, R. Serfaty, J. M. Vedovotto, “A detailed kinetic mechanism for FCC regenerator flue gas oxidation” (submitted toEnergy & Fuels, 2026). Please cite the paper and this deposit when using CRECK-S. License CC-BY 4.0