Building transition probabilities for any condition using reduced cumulative energy transfer functions in H2O-H2O collisions.
The energy transfer process between highly vibrationally excited H(2)O in thermal equilibrium with a gas bath of H(2)O at different internal energies and temperatures has been studied by classical trajectory calculations. The results were analyzed using a cumulative probability distribution Q(DeltaE) of the amount of energy transferred, obtained by direct count of the number of trajectories that transfer an amount of energy equal to or greater than a certain value DeltaE. Scaling Q(DeltaE) in terms of the mean down and up energies transferred for each group of trajectories results in a unique distribution. This fact and the use of detailed balance constrains were used to propose a methodology that make it possible to build the whole P(E('),E) for any condition by knowing DeltaE and a series of parameters that depend only on the system under study.
Bustos-Marún
Raúl A
RA
Centro Láser de Ciencias Moleculares, INFIQC, Universidad Nacional de Córdoba, Cordoba, Argentina.
Coronado
Eduardo A
EA
Ferrero
Juan C
JC