Comprehensive chemical kinetic reaction mechanism for oxidation and pyrolysis of propane and propene
A detailed chemical kinetic reaction mechanism is developed to describe the oxidation and pyrolysis of propane and propene. The mechanism consists of 163 elementary reactions among 41 chemical species. New rate expressions are developed for a number of reactions of propane, propene, and intermediate hydrocarbon species with radicals including H, O, OH. The mechanism is tested by comparison between computed and experimental results in shock tubes and the turbulent flow reactor. The resulting comprehensive mechanism accurately reproduces experimental data for pressures from 1 to 15 atmospheres, temperatures from 1000 to 1700 K, and fuel-oxidizer equivalence ratios from 0.066 to pyrolysis conditions. The mechanism also predicts correctly laminar flame properties for propane and propene, and detonation properties for propane. 128 references, 6 figures, 2 tables.
- Research Organization:
- Lawrence Livermore National Lab., CA
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 6262270
- Journal Information:
- Combust. Sci. Technol.; (United States), Journal Name: Combust. Sci. Technol.; (United States) Vol. 37; ISSN CBSTB
- Country of Publication:
- United States
- Language:
- English
Similar Records
Propene pyrolysis and oxidation kinetics in a flow reactor and laminar flames
Propane oxidation: kinetic mechanism and applications