Kinetic Mechanism of 2,3,3,3-Tetrafluoropropene (HFO-1234yf) Combustion.

A kinetic model for 2,3,3,3-tetrafluoropropene (HFO-1234yf) high temperature oxidation and combustion is proposed. It is combined with the GRI-Mech-3.0 model, the previously developed model for 2-bromo-3,3,3-trifluoropropene (2-BTP), and the NIST C-C hydrofluorocarbon model. The model includes 909 reactions and 101 species. Combustion equilibrium calculations indicate a maximum combustion temperature of 2076 K for an HFO-1234yf volume fraction of 0.083 in air for standard conditions (298 K, 0.101 MPa). Modeling of flame propagation in mixtures of 2,3,3,3-tetrafluoropropene with oxygen-enriched air demonstrates that the calculated maximum burning velocity reproduces the experimentally observed maximum burning velocity within about %reasonably well. However, the calculated maximum is observed in lean mixtures in contrast to the experimental results showing the maximum burning velocity shifted to the rich mixtures of HFO-1234yf.