Gas-phase thermal dissociation of uranium hexafluoride: Investigation by the technique of laser-powered homogeneous pyrolysis

Bostick, W.D.; McCulla, W.H.; Trowbridge, L.D.

doi:10.2172/6630899

Cited by 3 publications

(3 citation statements)

References 37 publications

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“…, where E a is 68 kcal/mol (Bostick et al 1987). This activation energy is much higher than that for the dissociation of F 2 to produce atomic F (on the order of 19 kcal/mol), accounting for the relative inertness of UF 6 in these scenarios.…”

Section: Selection Of Product Speciesmentioning

confidence: 92%

An Equilibrium-Based Model of Gas Reaction and Detonation

Trowbridge¹

2000

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Section: Selection Of Product Speciesmentioning

confidence: 92%

An Equilibrium-Based Model of Gas Reaction and Detonation

Trowbridge¹

2000

Self Cite

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“…Note also that the reaction constant for the decay of UF 6 → UF 5 + F was estimated experimentally in (Bostick et al 2020).…”

Section: Determination Of States For the Reactions Uf 6 ↔ Uf 5 + F And Uf 6 ↔ Uf 4 + Fmentioning

confidence: 99%

Determination of the energy characteristics of the reactions UF6 ↔ UF5 + F and UF6 ↔ UF4 + F2

Khromov¹,

Orlov²,

Belov³

et al. 2021

NUCET

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Quantum-mechanical methods are used to assess the energy barriers to dissociation and recombination reactions of UF6 ↔ UF5 + F and UF6 ↔ UF4 + F2. The energy characteristics of these reactions are found to be strongly asymmetric: the dissociation reaction barriers exceed the recombination reactions barriers by more than 4 eV. The equilibrium atomic configurations of F2, UF4, UF5 and UF6 have been determined using precision quantum mechanical calculations. The U-F bond lengths obtained as a result of the calculations are in good agreement with experimental data. It was found that the decay reaction UF6 → UF5 + F is either barrier-free, or the energy barrier for such a reaction is less than the resolving power of the method (~ 0.1 eV). For the decay of UF6 → UF4 + F2, there is an energy barrier with a height of about 0.3 eV. An initial approximation was proposed for the arrangement of UF6 atoms in order to find the saddle points of the UF6 dissociation reactions. In this initial configuration, all 7 atoms of the UF6 molecule are located in the same plane. The F atoms are located at the vertices of a regular hexagon, and the U atom is at the center of such a hexagon. The results of this work can be used to determine the constants of thermal reactions of dissociation and recombination UF6 ↔ UF5 + F и UF6 ↔ UF4 + F2. These constants are necessary for modeling the physicochemical processes occurring during the enrichment of spent nuclear fuel (SNF).

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“…If the reactions proceed according to equations (1) and 2, the quantity of CI2 produced is not a unique function of the total-oxidant input; rather, it depends upon the proportions qf the two reactants in the input mixture. For example, the same yield --3 moles of CI2 -would result from reacting either 2 moles of F2 plus 0.5 mole of CIF3, or one mole each of F2 and CIF a.…”

Section: Calcuiationsmentioning

confidence: 99%

Photometric on-line monitor for total oxidants in the ports purge cascade

Maddox¹

1990

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Gas-phase thermal dissociation of uranium hexafluoride: Investigation by the technique of laser-powered homogeneous pyrolysis

Cited by 3 publications

References 37 publications

An Equilibrium-Based Model of Gas Reaction and Detonation

An Equilibrium-Based Model of Gas Reaction and Detonation

Determination of the energy characteristics of the reactions UF6 ↔ UF5 + F and UF6 ↔ UF4 + F2

Photometric on-line monitor for total oxidants in the ports purge cascade

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