Quasi-classic dynamics of reactive and non-reactive collisions in the system OH(v′, j′=1) + O2 (v′′, j′′=1)

  • J. D. Garrido Arrete Dpto. de Física General y Matemáticas, Instituto Superior de Tecnologías y Ciencias Aplicada (InsTEC)
  • A. J. C. Varandas Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal
  • P. J. S. B. Caridade Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal

Abstract

The reactive and vibrational relaxation processes, occurring in collisions of vibrational excited O2 and OH, are investigated using the quasi-classical trajectory method and the realistic double many-body expansion (DMBE-I) potential energy surface for ground-state HO3 . Calculations have covered a wide range of combinations of vibrational excited states of involved molecules to warrant the definition of models with correct analytical descriptions of the specific thermal rate coefficients for all interesting processes. It is also shown that the vibrational relaxation of colliding molecules is less important than the reactive processes leading to formation of “odd-oxygen” (and hence ozone).

Published
Dec 20, 2007
How to Cite
GARRIDO ARRETE, J. D.; VARANDAS, A. J. C.; CARIDADE, P. J. S. B.. Quasi-classic dynamics of reactive and non-reactive collisions in the system OH(v′, j′=1) + O2 (v′′, j′′=1). Revista Cubana de Física, [S.l.], v. 24, n. 2, p. 105-115, dec. 2007. ISSN 2224-7939. Available at: <https://revistacubanadefisica.org/index.php/rcf/article/view/RCF_24_2_105>. Date accessed: 13 aug. 2022.
Section
Original Articles