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- Title
A novel derivation of collision theory rate constants for a bimolecular reaction.
- Authors
Monaco, Guglielmo
- Abstract
A novel exact derivation for the kinetic constant of a bimolecular reaction according to three well-known models of collision theory is reported. The use of probability density functions, with the introduction of a novel geometry to study the collision process, allows simplifying the derivation to such an extent, that, for a proper statistical background, it is is possible to recover the line-of-centers and the angular dependent line-of-centers models in no more than a couple of lectures. Although the derivation is introduced to recover the temperature-dependent kinetic constant, it is shown that the energy-dependent reactive cross section can be recovered as well. A possible confusion in the interpretation of the pre-exponential factor is commented.
- Subjects
BIMOLECULAR collisions; MATHEMATICAL constants; DENSITY functionals; CHEMICAL kinetics; CHEMICAL reactions; EXPONENTIAL functions; STATISTICAL energy analysis
- Publication
Journal of Mathematical Chemistry, 2011, Vol 49, Issue 8, p1544
- ISSN
0259-9791
- Publication type
Article
- DOI
10.1007/s10910-011-9840-5