Journal of Physical Chemistry, Vol.98, No.2, 502-507, 1994
Temperature-Dependence of N+n-2 Rate Coefficients
After the validity of two model potential energy surfaces was tested, quasiclassical calculations of vibrational deexcitation rate coefficients for the nitrogen-atom nitrogen-molecule reaction were performed for a range of reactant vibrational numbers extending up to v = 45 and a set of translational and rotational temperatures ranging from 500 to 4000 K. The different effect of varying either the rotational or the translational temperature on the relative efficiency of reactive and nonreactive vibrational transitions is discussed in detail.
Keywords:PARALLEL