Recommended rate constants of chemical reactions in an H₂-O₂ gas mixture with electronically excited species O₂ (1∆), O(1D), OH(2Σ) involved




The database of recommended rate constants of chemical reactions in an H₂-O₂ gas mixture with electronically excited species O₂(1∆), O(1D), OH(2Σ) involved is presented. Τhe chemical model includes dissociation, recombination, exchange and quenching reactions. The rate constants proposed are recommended for using for the temperature range Т = 500−2500 К in combustion problems. Both original experimental studies and well known reviews are used.


Volume 1, 2003 year


Рекомендуемые константы скорости химических реакций в газовой смеси H₂-O₂ с учетом электронно-возбужденных компонент O₂(1∆), O(1D), OH(2Σ)


Volume 1, 2003 year



Baulch D.L., Drysdale D.D., Horne D.G. Evaluated Kinetic Data for High Temperature Reactions. Vol.1. Homogeneous gas phase reactions of the H2 -O2 system. London. Butterworths. 1972.
Baulch D.L., Drysdale D.D., Duxbury J., Grant S.J. Evaluated Kinetic Data for High Temperature Reactions. Vol.3. Homogeneous gas phase reactions of the O2 -O3 system and the CO-O2-H2 system, and sulfur-containing species. London. Butterworths. 1976.
Baulch D.L., Cobos C.J., Cox R.A. et al. Evaluated kinetic data for combustion modelling. // J. Phys. Chem. Ref. Data. 1992. Vol.21. pp.411−736.
Baulch D.L., Cobos C.J., Cox R.A. et al. Summary table of evaluated kinetic data for combustion modelling. // Combustion and Flame. 1994. Vol.98. pp.59−79.
Atkinson R., Baulch D.L., Cox R.A., et al. Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry. // J. Phys. Chem. Ref. Data. 1997. Vol.26. pp.1329−1499.
Tsang W., Hampson R.F. Chemical Kinetic Data for Combustion Chemistry. P.I. Methane and related Compounds // J. Phys. Chem. Ref. Data. 1986. Vol.15. P.1087.
Warnatz J. Rate coefficients in the C/H/O system. // Combustion Chemistry, ed. W.C. Gardiner, pub. Springer-Verlag, NY, 1984.
Dougherty E.P., Rabirz H. Computational kinetics and sensitivity analysis of nitrogen-oxygen combustion. // J.Chem. Phys. 1980. Vol.72 (12). P. 6571.
Makarov V.N., Shatalov O.P. Gasdynamic ozone generator. // J. Fluid Dynamics. 1994. Vol.29. No 6. pp.134−148.
Starik А.М., Titova N.S. Initiation of combustion and detonation in gas mixtures at excitation of molecular oxygen in O2(1∆) state // J. Himicheskaja Fizika. 2001. Vol.20. No.5. pp.17−25 (in Russian).
Skrebkov О.V., Mjagkov Ju.P., Karkach S.P., et al. Mechanism of formation of an excited radical OH(2Σ+) at ignition of diluted gas mixture H2 -O2 by shock wave. //Doklady akademii nauk. Seriya “Fizicheskaya chimiya”. 2002. Vol.383. No.6. pp.1−4 (in Russian).
Skrebkov O.V., Miagkov Yu. P., Karkach S.P. et al., Electronically excited particles in the hydrogen-oxygen reaction behind weak shock waves. // Workshop “Alternative Approaches for Improved Combustion”, Heidelberg (Germany), 12−14 May, 2002.
Karkach S.P. Ab initio analysis of initiating reactions in H 2 -O 2 mixtures involving excited oxygen. // Workshop “Alternative Approaches for Improved Combustion”, Heidelberg (Germany), 12−14 May, 2002.
Skrebkov O.V., Karkach S.P., 2001. Private communication.
NIST Chemical Kinetics Database. Standard Reference Database 17-2Q98. 1998.- NIST. Gaithersburg. MD. USA.
Ibraguimova L.B. The rate constants of chemical reactions in high-temperature CO2. // J. Mathematical modeling. 2000. Vol.12. Nо.4. pp.3−19 (in Russian).