Final Result
The result of this exercise is approximately in the right ballpark.
This is not unexpected because the Sato constant (approximating an overlap
integral) has been calibrated by experiment (average for several H2
+ X reactions). So Leps.exe, in fact, demonstrates that the crude assumptions
of the Eyring model can be quantitatively carried through and what's involved
for doing it. The 'Transition State Theory' experiences currently a renaissance
in a much more sophisticated context, however. See e.g. the monograph 'Modern
Gas Kinetics', M.J. Pilling & I.W.M. Smith (eds.), Blackwell Scientific
Publications, Oxford (1987)
|