Effect of oxygen on thermal decomposition of nitric oxide at high temperatures

Kaufman, F.; Decker, L.

doi:10.1016/s0082-0784(58)80019-3

Cited by 22 publications

(23 citation statements)

References 7 publications

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“…Thermal rates have been determined for the forward reaction at many instances using experiments and computations. ,− However, for the reverse reaction, theoretical rates are determined indirectly from the equilibrium constant of N( 4 S) + O 2 (X 3 Σ g – ) ↔ O( 3 P) + NO(X 2 Π). In ref , explicit QCT calculations were carried out to calculate the rates for forward and reverse reactions for a wide range of temperatures which are in good agreement with the experiment results (see Figure ).…”

Section: State-to-state Thermal Rates and Vibrational Relaxation Ratesmentioning

confidence: 99%

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

2020

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The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state species need to be computed and represented with high accuracy, and quasiclassical or quantum nuclear dynamics simulations provide the basis for determining the relevant rates. These include thermal reaction rates, state-to-state cross sections, and vibrational relaxation rates. For exemplary systems (i.e., [NNO], [NOO], and [CNO]), all individual steps are described, and a literature overview for them is provided. Finally, as some of these quantities involve considerable computational expense, for the example of state-to-state cross sections, the construction of an efficient model based on neural networks is discussed. All such data is required and being used in more coarse-grained computational fluid dynamics simulations.

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Section: State-to-state Thermal Rates and Vibrational Relaxation Ratesmentioning

confidence: 99%

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

2020

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“…Because the aim of this work is to obtain accurate rate expressions valid at high temperatures, these results could not be used. Several rate parameters were determined using complex reaction mechanisms from shock-tube, flame, or static measurements (R1, refs − ; R–1, refs , , , , , and ; R2, refs − ; and R-2, refs , , and − ). These kinds of measurements usually have high and not controlled uncertainty.…”

Section: Data Usedmentioning

confidence: 99%

“…Although the thermal route was described first more than 70 years ago, the related rate coefficients are still not known accurately. This formation route was investigated experimentally by Bowman, Engleman et al, and recently Abián et al The rate-determining reaction (R1) N + NO = N 2 + O has been examined several times directly. − Its reverse reaction (R–1) N 2 + O = N + NO is also an extensively studied reaction. − The thermodynamic data of the related species are known accurately; therefore, at a given temperature, the forward rate coefficient can be calculated from the reverse rate coefficient and the thermal equilibrium, without inducing further significant error. Using the calculation method of Nagy et al, the estimated error of ln k is in the order of 10 –5 as a result of the uncertainty of thermodynamic data.…”

Section: Introductionmentioning

confidence: 99%

Formation of NO in High-Temperature N₂/O₂/H₂O Mixtures: Re-evaluation of Rate Coefficients

et al. 2018

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A re-evaluation of the flow reactor experiments of Abián et al. (Formation of NO from N2/O2 Mixtures in a Flow Reactor: Toward an Accurate Prediction of Thermal NOAbiánM.AlzuetaM. U.GlarborgP. Abián, M. Alzueta, M. U. Glarborg, P. Int. J. Chem. Kinet.201547518532) is presented. In these experiments, nitrogen oxide formation was measured at atmospheric pressure in the temperature range of 1700–1810 K using several mixtures containing different ratios of oxygen, nitrogen, and water vapor. On the basis of the mechanism of Abián et al., the two most important reaction steps for NO formation (reaction R1, NO + N = N2 + O; reaction R2, N2O + O = 2 NO) were identified by local sensitivity analysis. For the optimization of the Arrhenius parameters of these reaction steps, 25 data points measured by Abián et al., two direct rate coefficient measurements (73 data points), and one theoretical calculation were used. The obtained mechanism with the optimized Arrhenius parameters (reaction R1, A = 1.176 × 1010 cm3 mol–1 s–1, n = 0.935, and E/R = −693.68 K; reaction R2, A = 1.748 × 1016 cm3 mol–1 s–1, n = −0.557, and E/R = 14 447 K) described the results of the flow reactor experiments, direct measurements, and theoretical calculations much better compared to the Abián et al. mechanism and also several recent NOx mechanisms. The rate coefficients of these elementary reactions were obtained with low uncertainty in the temperature range of 1600–2200 K.

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“…Most observers agree that at temperatures below 1500 OK, the reaction is bimolecular (Kaufman and Decker, 1959). At higher temperatures, however, only the initiation step is bimolecular; the subsequent mechanism has chain characteristics and can be catalyzed by the introduction of molecular oxygen (Wise and Frech, 1952;Yuan et al, 1959, Kaufman andDecker, 1959).…”

Section: Introductionmentioning

confidence: 99%

“…Below approximately 3000 OK (Freedman and Daiber, 1961) Wise and Frech (1952) Kaufman and Kelso (1955) Fenimore and Jones (1957) Yuan et al (1959) Kaufman and Decker (1959) Freedman and Daiber (1961) Wray and Teare (1962) Camac and Feinberg (1967) Myerson (1973( ) Flower et al (1974 (Kaufman and Kelso, 1955;Fenimore and Jones, 1957;Kaufman and Decker, 1959). Apparently, O-atom equilibrium persists to temperatures as low as 1400"K, However, if we consider the kinetics of the dissociation reaction, equilibration is not justified.…”

Section: Introductionmentioning

confidence: 99%

Fast Nitrogen Dioxide Reactions: Significance during NO Decomposition and NO₂Formation

Laurendeau

1975

Combustion Science and Technology

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Effect of oxygen on thermal decomposition of nitric oxide at high temperatures

Cited by 22 publications

References 7 publications

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

Formation of NO in High-Temperature N₂/O₂/H₂O Mixtures: Re-evaluation of Rate Coefficients

Fast Nitrogen Dioxide Reactions: Significance during NO Decomposition and NO₂Formation

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Effect of oxygen on thermal decomposition of nitric oxide at high temperatures

Cited by 22 publications

References 7 publications

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics

Formation of NO in High-Temperature N2/O2/H2O Mixtures: Re-evaluation of Rate Coefficients

Fast Nitrogen Dioxide Reactions: Significance during NO Decomposition and NO2Formation

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Formation of NO in High-Temperature N₂/O₂/H₂O Mixtures: Re-evaluation of Rate Coefficients

Fast Nitrogen Dioxide Reactions: Significance during NO Decomposition and NO₂Formation