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Effect of PES on Collisional Energy Transfer

How does collisional energy transfer (CET) between a highly vibrationally excited reactant molecule and a thermal medium molecule depend on the nature of the potential energgy surface (PES). The PES can be roughly separated (or can it?) into two terms:

the intramolecular interaction within each collision partner (between the component atoms): calculations so far indicate that the dependence of CET on the intramolecular surface is weaker than on the intermolecular interaction. However, it is likely (and observed) that there are some influences of the nature of the intramolecular dynamics (and molecular shape) e.g. IVR, partitioning between different modes, rotational-vibrational interaction.
the intermolecular interaction between the collision partners: so far calculations indicate that the steepness of the wall and the depth of the well play crucial roles on the extent of CET at high and low temperatures respectively.

The intermolecular potential energy surface of CO2-Ar and its effect on collisional energy transfer
Terry J. Frankcombe, Carbon dioxide in argon: computational studies of the intermolecular potential energy surface and collisional energy transfer (Compressed PostScript) Honours Thesis, ANU, 1997.
My 1997 Honours Student: Terry James Frankcombe's Home Page (1997 Adrien Albert Honours Prize and The 1997 University Medal in Chemistry) | Terry James Frankcombe's New Home Page

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Last revised Thursday 02 September 1999 EST - Harold W. Schranz Email: Harold.Schranz@anu.edu.au