Volume 6, no. 1Pages 56 - 71

Mathematical Modelling of Adiabatic Induction Period for Methane-Oxygen Mixtures in a Wide Range of Initial Pressure and Temperature

V.K. Ryabinin, Yu.M. Kovalev
The subject of this work is the features of thermal explosion modeling in an isochoric adiabatic reactor for wide range of initial pressures and temperatures, with reference to the maximal kinetic mechanism of a branched - chain reaction for methane - oxygen and methane - air mixtures. Two mathematical models are constructed on the basis of gase law equations for ideal and actual gases. The amendments to an enthalpy and heat capacity for components of a gas mixture due to high-pressure in real gas are taken into account. Results of calculations for these two classes of models shown, that at high pressure the induction period in real gas is longer, than in ideal at the same starting conditions. Set, that the dominant factor, defining this effect, is difference in density of real and ideal gas after initial compression.
Full text
mathematical modelling, combustion and explosion, chain reactions, high pressure.
1. Todes O.M. 'Adiabaticheskiy' teplovoy vzryv ['Adiabatic' Heat Explosion]. ZhFKh [J. of Physical Chemistry], 1933, vol. 4, no. 1, pp. 71-78.
2. Frank-Kamenetskii D.A. Diffusion and Heat Transfer in Chemical Kinetics. Plenum Press, 1969.
3. Zel'dovich Ya.B., Barenblatt G.I., Librovich B.B., Makhviladze G.M. Matematicheskaya teoriya goreniya i vzryva [The Mathematical Theory of Combustion and Explosion]. Moscow, Nauka, 1980.
4. Warnatz J., Maas U., Dibble R.W. Combustion. Physical and Chemical Fundamentals, Modeling and Simulations, Experiments, Pollutant Formation. Springer, 2001.
5. Oran E.S., Boris J.P. Numerical Simulation of Reactive Flow. Elservier Science Publishing Co., Inc., New York, 1987.
6. Polak L.S., Gol'denberg M.Ya., Levitzkiy A.A. Vychislitelnye metody v himicheskoy kinetike [Computational Methods in Chemical Kinetics]. Moscow, Nauka, 1984.
7. Gurvich L.V. Termodinamicheskie svoistva individual'nykh veshchestv. In 4 vols [Thermodynamic Properties of Individual Substances]. Moscow, Nauka, 1978-1982.
8. Hirschfelder J.O., Curtiss Ch.F., Bird R.B. Molecular Theory of Gases and Liquids. John Wiley and Sons, Inc., Ney York, Chopman and Hall, Lim., London, 1954.
9. Reid R.C., Prausnitz J.M., Sherwood T.K. The Properties of Gases and Liquids. McGraw-Hill, Inc., 1977.
10. Mader Ch.L. Numerical Modeling of Detonations. University of California Press, 1979.
11. Tsiklis D.C. Plotnye gasy [Dense Gases]. Moscow, Chimiya, 1977.
12. Kalashnikov Ya.A. Fizicheskaya khimiya veshchestv pri vysokikh davleniyah [Physical Chemistry of Substances Under High Pressure]. Moscow, Vysshaya shcola, 1987.
13. Westbrook Ch.K., Urtiew P.A. Use of Chemical Kinetics to Predict Critical Parameters of Gaseous Detonations. Combustion, Explosion and Shock Waves, 1983, vol. 19, no. 6, pp. 753-766.