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- W2082959478 abstract "The sulfur recombination reaction has been thought of as one of the most important chemical reactions in the volcanic activities of the planet. It is also important in determining the propagation of elemental sulfur in the atmosphere. There have been two experimental attempts to determine the reaction rate of the S+S→S2 recombination, however their results differ by four orders of magnitude. In this work, we determine the rate constant of S+S→S2 from quasiclassical trajectory calculations. The third order rate constant at 298.15K predicted by the present calculations is 4.19×10−33cm6molecules−2s−1, which is in excellent agreement with the determination of Fair and Thrush [Trans. Faraday Soc. 65, 1208 (1969)]. The temperature dependent rate constant is determined to be 3.94×10−33exp[205.56(1∕T−1∕298.15)], which was determined from the temperature range of 100–500K." @default.
- W2082959478 created "2016-06-24" @default.
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- W2082959478 date "2008-05-28" @default.
- W2082959478 modified "2023-09-28" @default.
- W2082959478 title "Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations" @default.
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- W2082959478 doi "https://doi.org/10.1063/1.2919569" @default.
- W2082959478 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18513018" @default.
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