Kinetic modeling of the decomposition and flames of hydrazine

Konnov, Alexander A.; Ruyck, Jacques De

doi:10.1016/s0010-2180(00)00187-5

Cited by 118 publications

(96 citation statements)

References 80 publications

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“…At low temperatures, the Westley 21 values are clearly in good agreement with those reported in the present work. The differences become more relevant when comparing with the values recommended by Miller 16 and Konnov and De Ruyck, 14 which are seen to be larger than ours. Interestingly, if one adds the dissociation rate constant (relevant for temperatures higher that 10 000 K) to that of reaction 1, our results become nearly coincident with those of Konnov and De Ruyck 14 at 25 000 K.…”

Section: The N + Nh Reactioncontrasting

confidence: 53%

“…Reaction 1 plays a key role in the combustion of nitrogencontaining species, 2,16 such as ammonia 17,18 and hydrazine. 14,19 Despite its importance, it has been the subject of only one direct experimental measurement, that by Hack et al, 20 who reported the rate constant at room temperature, obtained by using a quasilaser flash photolysis cell. For other temperatures, only crude estimates obtained by indirect means have been suggested.…”

Section: Introductionmentioning

confidence: 99%

“…For other temperatures, only crude estimates obtained by indirect means have been suggested. 14,16,19,21 From the perspective of molecular dynamics, the bimolecular reactions considered here have not attracted much attention, partly due to the lack of an accurate global potential energy surface for HN 2 . In the present work we will use the quasiclassical trajectory (QCT) method for studying the N + NH reaction over a wide range of temperatures.…”

Section: Introductionmentioning

confidence: 99%

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Unimolecular and Bimolecular Calculations for HN₂

et al. 2005

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Section: The N + Nh Reactioncontrasting

confidence: 53%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Unimolecular and Bimolecular Calculations for HN₂

et al. 2005

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“…It is known [5] that the two bonds in hydrazine have the following dissociation energies, The uncertainty in the first value is discussed below.…”

Section: Gas Phase Decomposition Of N 2 Hmentioning

confidence: 99%

“…A recently published kinetic model of hydrazine flames [5] used a total of 51 reactions, each of which involves at least one free radical. This mechanism [5] proposed that the same initiation step (breaking the weakest bond) and the first propagation step shown above control the decomposition in dilute mixtures.…”

Section: Gas Phase Decomposition Of N 2 Hmentioning

confidence: 99%

The Decomposition of Hydrazine in the Gas Phase and over an Iridium Catalyst

Schmidt

Gordon

2013

Zeitschrift Für Physikalische Chemie

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Hydrazine / Gas Phase / Ir Catalyst / Quantum ChemistryHydrazine is an important rocket fuel, used as both a monopropellant and a bipropellant. This paper presents theoretical results to complement the extensive experimental studies of the gas phase and Ir catalyzed decompositions involved in the monopropellant applications of hydrazine. Gas phase electronic structure theory calculations that include electron correlation predict that numerous molecular and free radical reactions occur within the same energy range as the basic free radical pathways: NN bond breaking around 65 kcal/mol and NH bond breaking around 81 kcal/mol. The data suggest that a revision to existing kinetics modeling is desirable, based on the energetics and the new elementary steps reported herein. A supported Ir 6 octahedron model for the Shell 405 Iridium catalyst used in thrusters was developed. Self-Consistent Field and electron correlation calculations (with core potentials and associated basis sets) find a rich chemistry for hydrazine on this catalyst model. The model catalyst provides dramatically lower NN and NH bond cleavage energies and an even smaller barrier to breaking the NH bond by NH 2 abstractions. Thus, the low temperature decomposition over the catalyst is interpreted in terms of consecutive NH 2 abstractions to produce ammonia and nitrogen. The higher temperature channel, which has hydrogen and nitrogen products, may be due to a mixture of two mechanisms. These two mechanisms are successive NH cleavages with surface H + H recombinations, and the same type of assisted H 2 eliminations found to occur in the gas phase part of this study.

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Proposal and verification of a kinetic mechanism model for NO_x removal with hydrazine hydrate

2014

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A relatively precise kinetic mechanism of NO x reduction using N 2 H 4 ÁH 2 O in a selective non-catalytic reduction process was proposed and verified by experiment in this study. The dominant radicals and reactions were confirmed, and the proper ranges of key parameters were determined through sensitivity analysis. Both experimental and simulation results show that the effective temperatures exhibit a bimodal distribution with the optimum temperatures being approximately 893 and 1248 K and the lower temperature window falling in the range of 848-973 K. The optimum residence time of the reaction was 0.2-0.35 s under the research conditions, and a longer residence time would lead to the regeneration of NO x . The normalized stoichiometric ratio (NSR) of 3.0 corresponded to the lowest temperature window, and a higher NSR value would make the temperature window shift to a higher temperature range. This kinetic mechanism model for the N 2 H 4 ÁH 2 O-based De-NO x process will serve its precise application. V C 2014 American Institute of Chemical Engineers AIChE J, 61: [904][905][906][907][908][909][910][911][912] 2015

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Kinetic modeling of the decomposition and flames of hydrazine

Cited by 118 publications

References 80 publications

Unimolecular and Bimolecular Calculations for HN₂

Unimolecular and Bimolecular Calculations for HN₂

The Decomposition of Hydrazine in the Gas Phase and over an Iridium Catalyst

Proposal and verification of a kinetic mechanism model for NO_x removal with hydrazine hydrate

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Kinetic modeling of the decomposition and flames of hydrazine

Cited by 118 publications

References 80 publications

Unimolecular and Bimolecular Calculations for HN2

Unimolecular and Bimolecular Calculations for HN2

The Decomposition of Hydrazine in the Gas Phase and over an Iridium Catalyst

Proposal and verification of a kinetic mechanism model for NOx removal with hydrazine hydrate

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Product

Resources

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Unimolecular and Bimolecular Calculations for HN₂

Unimolecular and Bimolecular Calculations for HN₂

Proposal and verification of a kinetic mechanism model for NO_x removal with hydrazine hydrate