Sulfur recombination: A direct approach

This work presents a direct three-body recombination approach of the sulfur recombination reaction, S + S + M → S2 + M, at temperatures between 100 and 500 K. Our calculations for M = Ar, based on a classical trajectory approach in hyperspherical coordinates, show excellent agreement with the experi...

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Bibliographic Details
Published in:The Journal of chemical physics 2024-08, Vol.161 (8)
Main Authors: Koots, R., Brown, G., Pérez-Ríos, J.
Format: Article
Language:English
Subjects:
Recombination reactions
Sulfur
Trajectory measurement
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Summary:This work presents a direct three-body recombination approach of the sulfur recombination reaction, S + S + M → S2 + M, at temperatures between 100 and 500 K. Our calculations for M = Ar, based on a classical trajectory approach in hyperspherical coordinates, show excellent agreement with the experimental measurement at T = 298 K of Fair and Thrush [Trans. Faraday Soc. 65, 1208 (1969)]. Similarly, we find that the production of S2 strongly depends on the SAr product, the other possible reaction channel. Finally, using the classical threshold law, we check sulfur recombination with another third body, M = H2S, and find no significant change in the rate.
ISSN:0021-9606
1089-7690
1089-7690
DOI:10.1063/5.0222273