| Autor: |
D.M. Golden, T. Rothem, P.H. Stewart |
| Rok vydání: |
1989 |
| Předmět: |
|
| Zdroj: |
Symposium (International) on Combustion. 22:943-952 |
| ISSN: |
0082-0784 |
| DOI: |
10.1016/s0082-0784(89)80103-1 |
| Popis: |
Extrapolation of rate constant data to temperatures and pressures far from the original experimental conditions is common in combustion modeling. However, great care must be taken when performing such an extrapolation in order to prevent gross errors. Modelers should be able to consult tables of parameters for combustion-relevant reactions that would enable the calculation of rate constants as a function of temperature and pressure over the entire range of interest. A complete tabulation would include both uni-and bimolecular reactions, including those bimolecular reactions proceeding via a bound intermediate. In this paper we illustrate the usefulness of such an approach for the H-atom abstraction reactions from ethane and neopentane by O-atoms, OH-radicals and CH3-radicals and for the more complex reactions CH4=CH3+H, OH+CO=CH2+H and CH3+CH3=C2H5+H. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
|
