Hyperthermal collisions of O+(4S3/2) with methane at 5 electron volts

Lipeng Sun, George C. Schatz

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Preliminary studies were carried out for the O+(4S 3/2) + methane reaction, which serves as a benchmark for developing the theory of polymer erosion by O+ under low Earth orbit conditions. Ab initio electronic structure calculations show that the interaction of O + with CH4 can lead to a large number of reaction products such as charge transfer, hydride abstraction, and H elimination. Based on the information obtained from these quantum chemistry calculations, a direct dynamics classical trajectory simulation was carried out at 5-eV relative translation energy and the chemical reaction channels predicted by the ab initio calculations are confirmed.

Original languageEnglish
Pages (from-to)436-438
Number of pages3
JournalJournal of Spacecraft and Rockets
Volume43
Issue number2
DOIs
Publication statusPublished - 2006

ASJC Scopus subject areas

  • Aerospace Engineering
  • Space and Planetary Science

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