A Kinetic Mechanism for CF3I Inhibition of Methane-Air Flames.

The influence of CF3I on the burning velocity of methane-air flame is experimentally and numerically studied. Experimental results demonstrate that the inhibition effectiveness of CF3I is very close to that of CF3Br. A detailed kinetic model of flame inhibition by CF3I is presented, based on an updated version of a previous model. The kinetic model contains 1072 reactions with 115 species including 10 iodine-containing species. Modeling results demonstrate good agreement with experimental data, and both experiments and calculations show that CF3I is only slightly less effective at reducing the burning velocity than CF3Br. The flame structure predicted from numerical simulations is analyzed and shows that main reactions of the inhibition cycle of CF3I are: H+HI=H2+I; H+I+M=HI+M; I+I+M=I2+M; H+I2=HI+I; I+CH3+M=CH3I+M; H+CH3I=CH3+HI; I+HCO=HI+CO; HI+OH=H2O+I and O+HI=I+OH.

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 C1-C2 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.

Influence of Hydrocarbon Moiety of DMMP on Flame Propagation in Lean Mixtures.

Phosphorus-containing compounds (PCCs) have been found to be significantly more effective than CF3Br for reducing burning velocity when added to stoichiometric hydrocarbon-air flames. However, when added to lean flames, DMMP (dimethylmethylphosphonate) is predicted to increase the burning velocity. The addition of DMMP to lean mixtures apparently increases the equivalence ratio (fuel/oxidizer) and the combustion temperature, as a result of hydrocarbon content of DMMP molecule. Premixed flames studies with added DMMP, OP(OH)3, and CF3Br are used to understand the different behavior with varying equivalence ratio and agent loading. Decrease of the equivalence ratio leads to the decrease of inhibition effectiveness of PCCs relative to bromine-containing compounds. For very lean mixtures CF3Br becomes more effective inhibitor than PCCs. Calculations of laminar burning velocities for pure DMMP/air mixtures predict the maximum burning velocity of 10.5 cm/s at 4.04 % of DMMP in air and at an initial temperature of 400 K. Adiabatic combustion temperature is 2155 K at these conditions.

High temperature 180 degrees laser-induced fluorescence probe for remote trace radical concentration measurements.

The design and validation are described of an optical probe for measurements of parts per million OH concentrations in actual combustion environments (1100 K, 1 atm).