Kinetic modeling of ethylene oxidation

Journal Article · Tue Mar 01 04:00:00 EST 1988 · Combust. Flame; (United States)

DOI:https://doi.org/10.1016/0010-2180(88)90065-X· OSTI ID:7002315

Dagaut, P; Cathonnet, M; Boettner, J C; Gaillard, F

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), Journal Name: Combust. Flame; (United States) Vol. 71:3; ISSN CBFMA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800* -- Combustion
Pyrolysis
& High-Temperature Chemistry
99 GENERAL AND MISCELLANEOUS
990220 -- Computers
Computerized Models
& Computer Programs-- (1987-1989)
ACETYLENE
ALKANES
ALKENES
ALKYNES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COMBUSTION KINETICS
COMBUSTION PRODUCTS
COMPUTER CODES
COMPUTERIZED SIMULATION
ETHYLENE
HYDROCARBONS
KINETICS
MEDIUM PRESSURE
METHANE
ORGANIC COMPOUNDS
OXIDATION
REACTION KINETICS
SHOCK WAVES
SIMULATION
VERY HIGH TEMPERATURE