Building transition probabilities for any condition using reduced cumulative energy transfer functions in H2O-H2O collisions.

RAÚL A. BUSTOS MARÚN, EDUARDO A. CORONADO Y JUAN C. FERRERO

JOURNAL OF CHEMICAL PHYSICS

Año: 2007 vol. 126 p. 124305 - 124305

0021-9606

The energy transfer process between highly vibrationally excited H2O in thermal equilibrium with a gas bath of H2O at different internal energies and temperatures has been studied by classical trajectory calculations. The results were analyzed using a cumulative probability distribution Q(∆E) 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  E. Scaling Q(∆E) in terms of the mean down and up energy transferred for each group of trajectories results in a unique distribution. This fact and the use of detailed balance constrains was used to propose a methodology that allow us to build the whole P(E´,E) for any condition by knowing <∆E> and a series of parameters that depend only on the system under study.