The oxidation of methane at elevated pressures: Experiments and modeling

Journal Article · Sun May 01 04:00:00 EDT 1994 · Combustion and Flame; (United States)

DOI:https://doi.org/10.1016/0010-2180(94)90005-1· OSTI ID:7111644

Hunter, T B; Wang, H; Litzinger, T A; Frenklach, M ^[1]

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1. Pennsylvania State Univ., University Park, PA (United States)

A detailed chemical kinetic model has been developed for methane oxidation which is applicable over a wide range of operating conditions. A reaction mechanism, originally developed for high-temperature methane oxidation, was expanded and extended to include reactions pertinent to the lower temperature, elevated pressure conditions encountered in the flow reactor experiments performed in the study. The resulting 207-reaction, 40-species mechanism is capable of reproducing the experimental species concentrations for each of the cases studied. The concentration profiles of reactant, intermediate, and product species, including CH[sub 4], CH[sub 2]O, CH[sub 3]OH, H[sub 2], C[sub 2]H[sub 6], C[sub 2]H[sub 4], CO, and CO[sub 2], were obtained in the High Pressure Optically Accessible Flow Reactor (HiPOAcFR) facility for temperatures ranging from 930 to 1,000 K and pressures of 6 and 10 atm. Based on the model, no appreciable change in reaction pathway was observe dover the pressure and temperature range studied, with HO[sub 2] providing the major route for CH[sub 3] oxidation. CH[sub 2]O was found to be a vital intermediate for all of the CH[sub 4] oxidation paths. In addition, inclusion of trace amounts of CH[sub 2]O measured at the initial sampling location into the model initial conditions greatly reduced the predicted time to onset of fuel disappearance and enhanced the model agreement. This result is consistent with past engine studies which have found that CH[sub 2]O is a significant pro-knock additive when added to a methane base fuel. The expanded reaction mechanism was also tested against shock-tube ignition delay and laminar flame speed data and was found to be in good agreement with the relevant experimental data.

• OSTI ID: 7111644
• Journal Information: Combustion and Flame; (United States), Journal Name: Combustion and Flame; (United States) Vol. 97:2; ISSN CBFMAO; ISSN 0010-2180
• Country of Publication: United States
• Language: English

Related Subjects

03 NATURAL GAS
034000* -- Natural Gas-- Combustion
ALCOHOLS
ALDEHYDES
ALKANES
ALKENES
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON MONOXIDE
CARBON OXIDES
CHALCOGENIDES
CHEMICAL REACTION KINETICS
COMBUSTION KINETICS
ELEMENTS
ENERGY SOURCES
ETHANE
ETHYLENE
FLUIDS
FORMALDEHYDE
FOSSIL FUELS
FUEL GAS
FUEL SUBSTITUTION
FUELS
GAS FUELS
GASES
HYDROCARBONS
HYDROGEN
HYDROXY COMPOUNDS
KINETICS
MATHEMATICAL MODELS
MEDIUM PRESSURE
METHANE
METHANOL
NATURAL GAS
NONMETALS
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PRESSURIZATION
REACTION INTERMEDIATES
REACTION KINETICS
TEST FACILITIES