The importance of thermodynamics to the modeling of nitrogen combustion chemistry
Journal Article
·
· Combustion and Flame; (USA)
- Lawrence Berkeley Lab., CA (USA). Applied Science Div. (USA)
Modeling calculations have been performed and are presented in the paper to illustrate the effect of using five commonly accepted data bases of thermochemical properties on predictions of temporal species profiles. The thermochemical properties are those used for the determination of equilibrium constants employed in the calculation of reverse rate coefficients for a chemical mechanism where forward rate coefficients are specified. The modeling study was performed for hydrogen/oxygen/argon/nitrogen-compound mixtures where the nitrogen compound was with NO or NH {sub 3}. The mixtures reacted isothermally at 1600 K and isobarically at 1 atmosphere, and a single kinetic mechanism for which forward rate coefficients were specified was used throughout. Mixtures of equivalence ratios of 0.625, 1.0, and 1.6 were considered.
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6859221
- Journal Information:
- Combustion and Flame; (USA), Journal Name: Combustion and Flame; (USA) Vol. 78:3; ISSN 0010-2180; ISSN CBFMA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
08 HYDROGEN
083000 -- Hydrogen-- Combustion-- (1990-)
10 SYNTHETIC FUELS
100400 -- Synthetic Fuels-- Combustion-- (1990-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800* -- Combustion
Pyrolysis
& High-Temperature Chemistry
42 ENGINEERING
420400 -- Engineering-- Heat Transfer & Fluid Flow
AMMONIA
ARGON
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COMBUSTION
COMBUSTION KINETICS
DISPERSIONS
ELEMENTS
FLUIDS
GASES
HYDRIDES
HYDROGEN
HYDROGEN COMPOUNDS
ISOTHERMAL PROCESSES
KINETICS
MIXTURES
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
NONMETALS
OXIDATION
OXYGEN
PHYSICAL PROPERTIES
RARE GASES
REACTION KINETICS
THERMOCHEMICAL PROCESSES
THERMODYNAMIC PROPERTIES
083000 -- Hydrogen-- Combustion-- (1990-)
10 SYNTHETIC FUELS
100400 -- Synthetic Fuels-- Combustion-- (1990-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800* -- Combustion
Pyrolysis
& High-Temperature Chemistry
42 ENGINEERING
420400 -- Engineering-- Heat Transfer & Fluid Flow
AMMONIA
ARGON
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COMBUSTION
COMBUSTION KINETICS
DISPERSIONS
ELEMENTS
FLUIDS
GASES
HYDRIDES
HYDROGEN
HYDROGEN COMPOUNDS
ISOTHERMAL PROCESSES
KINETICS
MIXTURES
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
NONMETALS
OXIDATION
OXYGEN
PHYSICAL PROPERTIES
RARE GASES
REACTION KINETICS
THERMOCHEMICAL PROCESSES
THERMODYNAMIC PROPERTIES