Hydroxyl radical initiated oxidation of olefins in tropospheric conditions: A theoretical study. Conference Paper uri icon

abstract

  • A theoretical investigation of the OH + ethylene system was conducted to understand the dynamics behind olefin oxidation initiated by hydroxyl radicals. High level ab initio calculations were employed to determine the potential energy surface of the system. Temperature dependent rate constants in the high pressure limit were calculated and were in good agreement with recent low temperature studies conducted by Leone et al. A two-transition state model accurately described the temperature dependence of these reactions. The application of this model to understanding more complicated olefin oxidation schemes such as OH + isoprene, a major source of ground level ozone in North America, is presented.

published proceedings

  • ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

author list (cited authors)

  • Greenwald, E. E., Georgievskii, Y., Klippenstin, S. J., & North, S. W.

complete list of authors

  • Greenwald, EE||Georgievskii, Y||Klippenstin, SJ||North, SW

publication date

  • January 1, 2005 11:11 AM