Quasiclassical trajectory calculation of argon-argon recombination rates

✍ Scribed by Robert E. Howard; Tracey L. Planck; Susan R. Trussell; Bram Saadevandi

• Publisher: Elsevier Science
• Year: 1987
• Tongue: English
• Weight: 344 KB
• Volume: 142
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(87)87245-7

✦ Synopsis

We have used quasiclassical trajectory calculations to study argon atom-atom recombination. For recombination occurring via a two-step mechanism with an argon atom serving as the third body, we compute a rate constant of kr = (8.7 + 2.6) x 10-j" cm6imolecule2 s at 300 K. Data computed over a 50-300 K temperature range show that the rate constant declines as T -0.664, in good agreement with simple kinetic and statistical arguments. Both the magnitude and temperature dependence of the computed rate constant differ considerably from an experimental determination.