Journal ArticleDOI
Mechanism and modeling of nitrogen chemistry in combustion
James A. Miller,Craig T. Bowman +1 more
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TLDR
In this article, the mechanisms and rate parameters for the gas-phase reactions of nitrogen compounds that are applicable to combustion-generated air pollution are discussed and illustrated by comparison of results from detailed kinetics calculations with experimental data.About:
This article is published in Progress in Energy and Combustion Science.The article was published on 1989-01-01. It has received 2843 citations till now. The article focuses on the topics: Combustion.read more
Citations
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Journal ArticleDOI
The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN2
TL;DR: This analysis demonstrates that the DN( 2) molecule has a longer lifetime than the HN(2) molecule, which might be more readily identified experimentally, and in marginal agreement with the latest experimental kinetic modeling studies.
Journal ArticleDOI
The dissociation of HNO. I. Potential energy surfaces for the X̃ 1A′, Ã 1A″, and ã 3A″ states
David H. Mordaunt,Heiner Flöthmann,Michael P. H. Stumpf,Hans-Martin Keller,Christian Beck,Reinhard Schinke,Koichi Yamashita +6 more
TL;DR: In this article, three-dimensional potential energy surfaces for the X 1A, A 1A and A 3A states of HNO were calculated at the multireference configuration interaction (MRCI) level of ab initio theory.
Journal ArticleDOI
A shock tube study of H + HNCO → NH2 + CO
TL;DR: In this paper, the reaction of atomic hydrogen with isocyanic acid (HNCO) to produce the amidogen radical (NH2) and carbon monoxide has been studied in shock-heated mixtures of HNCO dilute in argon.
Journal ArticleDOI
Theoretical study of reactions of N2O with NO and OH radicals
TL;DR: In this article, the authors used the modified Gaussian-2 method (G2M) to compute the reaction rate constants on the basis of the TST and RRKM theories.
Journal ArticleDOI
On the abundance of non-cometary HCN on Jupiter
TL;DR: Using one-dimensional thermochemical/photochemical kinetics and transport models, the chemistry of nitrogen-bearing species in the Jovian troposphere is examined in an attempt to explain the low observational upper limit for HCN.
References
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Journal ArticleDOI
Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds
W. Tsang,R. F. Hampson +1 more
TL;DR: In this paper, the authors evaluated data on the kinetics and thermodynamic properties of species that are of importance in methanepyrolysis and combustion, including H, H2, O, O2, OH, HO2, CH2O, CH4, C2H6, HCHO, CO2, CO, HCO, CH3, CH5, CH6, CH7, CH8, CH9, CH10, CH11, CH12, CH13, CH14, CH15, CH16, CH17, CH
Book
The Mathematical Theory of Combustion and Explosions
TL;DR: In this paper, various topics in the area of combustion and explosives are discussed, including basic physical concepts of the science of combustion, the time-independent theory of thermal explosions, time-dependent statement of the problem of the initiation of chemical reaction waves in fuel mixtures, laminar flames, complex and chain reactions in flames, the gas dynamics of combustion dynamics, and diffusional combustion of gases.
ReportDOI
The Chemkin Thermodynamic Data Base
TL;DR: The Chemkin general-purpose chemical kinetics package uses a data base that contains polynomial fits to specific heats, standard state enthalpies, and standard state entropy as mentioned in this paper.
Book ChapterDOI
Rate Coefficients in the C/H/O System
TL;DR: In this article, a critical survey of reaction rate coefficient data important in describing high-temperature combustion of H2, CO, and small hydrocarbons up to C4 is presented.