Hyperthermal collisions of O +( 4S 3/2) 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 CH 4 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 - Mar 2006

Fingerprint

Methane
methane
collision
electron
collisions
Electrons
Quantum chemistry
electrons
quantum chemistry
low Earth orbits
Reaction products
Hydrides
chemical reaction
reaction products
hydrides
erosion
Electronic structure
Charge transfer
Chemical reactions
elimination

ASJC Scopus subject areas

  • Aerospace Engineering

Cite this

Hyperthermal collisions of O +( 4S 3/2) with methane at 5 electron volts. / Sun, Lipeng; Schatz, George C.

In: Journal of Spacecraft and Rockets, Vol. 43, No. 2, 03.2006, p. 436-438.

Research output: Contribution to journalArticle

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