Coriolis coupling on the rotational and vibrational energy transfer in H2O+Ar collisions: Classical trajectories simulation

摘要

Classical trajectories studies in Cartesian coordinates are applied to analyze Coriolis coupling for the energy transfer in H2O + Ar process. Vibrational energies equal to 50 kcal/mol and 100 kcal/mol for initial rotational temperatures in the range 298-30,000 K are used as initial conditions. Initial translational temperatures for the incoming atom are selected in the same way. Effects of rotational and translational temperatures at different initial conditions are also investigated in the molecular vibrational relaxation process. (C) 2006 Wiley Periodicals, Inc.