Chemical structure and kinetic modeling of 1,2-dichloroethane/methane fuel-rich flames
The chemical structure of atmospheric, premixed, one-dimensional, laminar, fuel-rich flames of 1,2-dichloroethane (1,2-DCE)/CH{sub 4}/O{sub 2}/Ar have been explored using a flat flame burner facility. The flames investigated have an equivalence ratio of about 2.0 and they are varied in the fuel ratios (0.3-1.5) together with the chlorine/hydrogen ratios (0.1-0.3). A number of important flame species have been identified and quantified for the first time in the flames of 1,2-DCE. In addition to those for the reactants, the mole fraction profiles of CO, CO{sub 2}, H{sub 2}O, HCl, H{sub 2}, C{sub 2}H{sub 6}, C{sub 2}H{sub 4}, C{sub 2}H{sub 2}, C{sub 2}H{sub 3}Cl, CH{sub 3}Cl, C{sub 4}H{sub 4}, C{sub 4}H{sub 2}, and C{sub 6}H{sub 6} were generated for all the fuel-rich flames studied. In another stoichiometric, pure 1,2-DCE flame, a significant level of highly substituted chlorinated hydrocarbons, such as CCl{sub 4}, COCl{sub 2}, CHCl{sub 3}, C{sub 2}Cl{sub 4}, C{sub 2}HCl{sub 3}, trans 1,2-C{sub 2}H{sub 2}Cl{sub 2} and Cl{sub 2} were also observed. A detailed chemical kinetic mechanism for the combustion of 1,2-DCE/CH{sub 4}/O{sub 2}/Ar system has been developed. The mechanism represents a considerable generality and broad utility by accounting for the isomer effect as well as the species up to benzene. The model has the participation of 82 species in 672 reversible elementary reaction. All the flames which were studied experimentally have been simulated by the same model. The major reaction pathways responsible for the formation and destruction of the species have been identified via reaction rate and sensitivity analyses.
- Research Organization:
- Illinois Inst. of Tech., Chicago, IL (United States)
- OSTI ID:
- 6065671
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
034000 -- Natural Gas-- Combustion
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800* -- Combustion
Pyrolysis
& High-Temperature Chemistry
ACETYLENE
ALKANES
ALKENES
ALKYNES
ARGON
AROMATICS
BENZENE
BURNERS
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON MONOXIDE
CARBON OXIDES
CARBON TETRACHLORIDE
CHALCOGENIDES
CHEMICAL COMPOSITION
CHEMICAL REACTION KINETICS
CHLORINATED ALIPHATIC HYDROCARBONS
CHLORINE
CHLORINE COMPOUNDS
CHLOROFORM
COMBUSTION KINETICS
CRYSTAL STRUCTURE
DISPERSIONS
ELEMENTS
ETHANE
ETHYLENE
FLAMES
FLUID FLOW
FLUIDS
FUEL-AIR RATIO
GASES
HALOGEN COMPOUNDS
HALOGENATED ALIPHATIC HYDROCARBONS
HALOGENS
HYDROCARBONS
HYDROCHLORIC ACID
HYDROGEN
HYDROGEN COMPOUNDS
INORGANIC ACIDS
KINETICS
LAMINAR FLOW
MATHEMATICAL MODELS
METHANE
METHYL CHLORIDE
MICROSTRUCTURE
MIXTURES
NONMETALS
ONE-DIMENSIONAL CALCULATIONS
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
OXIDES
OXYGEN
OXYGEN COMPOUNDS
QUANTITY RATIO
RARE GASES
REACTION INTERMEDIATES
REACTION KINETICS
VAPORS
WATER VAPOR