Collision reactions between CN and C2H2: Short-time fourier transform analysis of AIMD simulation

Mari Tamaoki*, Daisuke Sakura, Yusuke Yamauchi, Hiromi Nakai

*この研究の対応する著者

研究成果: Conference contribution

抄録

Collision reactions between the cyano radical (CN) and unsaturated hydrocarbons (C2H2), which occur in the atmosphere of Saturn's moon Titan, were investigated using ab initio molecular dynamics (AIMD) simulations. The simulation results were categorized into three kinds: nonreactive collision, incorporation, and substitution. Short-time Fourier transform analysis of velocity auto-correlation functions obtained by the AIMD simulations was performed to examine the non-equilibrium condition of the vibrational states. Spectrograms, which correspond to the time evolution of power spectra, clarify the relationship between the three reaction channels and the dynamical changes of the vibrational states.

本文言語English
ホスト出版物のタイトルASTROCHEMISTRY
ホスト出版物のサブタイトルFrom Laboratory Studies to Astronomical Observations
ページ315-321
ページ数7
DOI
出版ステータスPublished - 2006
イベントASTROCHEMISTRY: From Laboratory Studies to Astronomical Observations - Honolulu, HI, United States
継続期間: 2005 12 182005 12 20

出版物シリーズ

名前AIP Conference Proceedings
855
ISSN(印刷版)0094-243X
ISSN(電子版)1551-7616

Conference

ConferenceASTROCHEMISTRY: From Laboratory Studies to Astronomical Observations
国/地域United States
CityHonolulu, HI
Period05/12/1805/12/20

ASJC Scopus subject areas

  • 物理学および天文学(全般)

フィンガープリント

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