A Kinetic Model of CHxCl4-x/CH4 Combustion

From this site you may download the kinetic model file, the thermodynamic data, and the transport data using the links below.

Reaction Model
Thermodynamic Database
Transport Database

Based on the work

Laminar Flame Speeds and Oxidation Kinetics of Tetrachloromethane

J.C. Leylegian and C.K. Law

Department of Mechanical and Aerospace Engineering
Princeton University
Princeton, New Jersey 08544-5263

H. Wang

Department of Mechanical Engineering
University of Delaware
Newark, Delaware 19716-3140


The laminar flame speeds of tetrachloromethane (CCl4) with methane in air at room temperature and atmospheric pressure were experimentally determined using the counterflow twin-flame technique, varying both the amount of CCl4 in the fuel and the equivalence ratio of the unburned mixture. Comparison between the experimental results and the previous data of CH3Cl-, CH2Cl2-, and CHCl3-CH4-air flames demonstrates the dominant influence of the atomic Cl-to-H ratio on the propagation rate of laminar flames with chlorinated methane addition. A detailed kinetic model previously employed for CH3Cl, CH2Cl2, and CHCl3 combustion was expanded to include additional pathways pertinent to tetrachloromethane combustion. Numerical simulation shows that the model predicts the laminar flame speeds reasonably well. Carbon flux and sensitivity analyses indicate that the oxidation kinetics of CH4 flames doped with CCl4 are essentially the same as those doped with other chloromethanes.

Twenty-Seventh Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, pp. 529-536 (1998).