The importance of thermodynamics to the modeling of nitrogen combustion chemistry

Journal Article · Fri Dec 01 00:00:00 EST 1989 · Combustion and Flame; (USA)

DOI:https://doi.org/10.1016/0010-2180(89)90024-2· OSTI ID:6859221

Martin, R J; Brown, N J ^[1]

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1. 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), Vol. 78:3; ISSN 0010-2180
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
10 SYNTHETIC FUELS
08 HYDROGEN
42 ENGINEERING
HYDROGEN
THERMODYNAMIC PROPERTIES
NITROGEN COMPOUNDS
AMMONIA
ARGON
COMBUSTION
COMBUSTION KINETICS
ISOTHERMAL PROCESSES
MIXTURES
OXYGEN
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DISPERSIONS
ELEMENTS
FLUIDS
GASES
HYDRIDES
HYDROGEN COMPOUNDS
KINETICS
NITROGEN HYDRIDES
NONMETALS
OXIDATION
PHYSICAL PROPERTIES
RARE GASES
REACTION KINETICS
THERMOCHEMICAL PROCESSES
400800* - Combustion
Pyrolysis
& High-Temperature Chemistry
100400 - Synthetic Fuels- Combustion- (1990-)
083000 - Hydrogen- Combustion- (1990-)
420400 - Engineering- Heat Transfer & Fluid Flow