Kinetic modeling of ethylene oxidation
The oxidation of ethylene was studied in a jet stirred flow reactor in the temperature range 900-1200K at pressures extending from 1 to 10 atm for a wide range of fuel-oxygen equivalence ratios (0.15-4.0). A computer program has been developed to model the experimental data using a chemical kinetic reaction mechanism. A direct method to determine the first order sensitivities of the mole fraction of each species with respect to the rate constants was used to develop the kinetic scheme. The present chemical kinetic reaction mechanism is able to reproduce our experimental results, although some discrepancies are observed for the minor products, particularly for acetylene. The validation of the present mechanism is extended to higher temperatures, in order to describe the oxidation of C/sub 1/ and C/sub 2/ of hydrocarbons in shock tubes. The experimental ignition delays obtained behind reflected shock waves, by various authors, are compared with the prediction of the model. A good agreement is found for methane in the temperature range 1200-2150K, for ethane in the temperature range 1200-1700K, and for ethylene in the temperature range 1050-1900K.
- Research Organization:
- C.N.R.S., Centre de Recherches sur la Chimie de la Combustion et des Hautes Temperatures, 45071 Orleans (FR)
- OSTI ID:
- 7002315
- Journal Information:
- Combust. Flame; (United States), Vol. 71:3
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
COMPUTER CODES
ETHYLENE
COMBUSTION KINETICS
COMPUTERIZED SIMULATION
OXIDATION
ACETYLENE
COMBUSTION PRODUCTS
MEDIUM PRESSURE
METHANE
SHOCK WAVES
VERY HIGH TEMPERATURE
ALKANES
ALKENES
ALKYNES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
HYDROCARBONS
KINETICS
ORGANIC COMPOUNDS
REACTION KINETICS
SIMULATION
400800* - Combustion
Pyrolysis
& High-Temperature Chemistry
990220 - Computers
Computerized Models
& Computer Programs- (1987-1989)