Information on the impact parameter dependence of the Ba+HI 
BaI(
=8)+H reaction
Using selectively detected laser-induced fluorescence, the rotational state distribution of the BaI product has been measured for the beam–gas reaction Ba+HI BaI(=8)+H. Owing to the highly cons...
BaI(=8)+H reactionUsing selectively detected laser-induced fluorescence, the rotational state distribution of the BaI product has been measured for the beam–gas reaction Ba+HI BaI(=8)+H. Owing to the highly cons...
Effects of periodic perturbations on the oscillatory combustion of acetaldehyde
Periodic perturbations are applied to the input rates of acetaldehyde and oxygen, one at a time, in the combustion of acetaldehyde in a CSTR. We measure periodic responses in five entrainment bands as...
Periodic perturbations are applied to the input rates of acetaldehyde and oxygen, one at a time, in the combustion of acetaldehyde in a CSTR. We measure periodic responses in five entrainment bands as...
Theory of activated rate processes: A new derivation of Kramers' expression
J. Chem. Phys. 85, 865 (1986); doi:10.1063/1.451294
Issue Date: 15 July 1986
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The generalized Langevin equation of motion for a particle trapped in a one-dimensional well with a barrier height V0 and coupled to a dissipative medium is modeled by a harmonic bath. Using the properties of the bath and a normal mode analysis we prove that the reactive frequency defined by Grote and Hynes for averaged motion across the barrier is actually a renormalized effective barrier frequency. We then show that the Kramers–Grote–Hynes expression for the rate of escape over the barrier is just the continuum limit of the usual gas phase harmonic transition state theory expression.
The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
| History: | Received 24 October 1985; accepted 31 March 1986 |
| Permalink: |
http://link.aip.org/link/?JCPSA6/85/865/1 |
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BibSonomy
KEYWORDS and PACS
LANGEVIN EQUATION,
CHEMICAL REACTION KINETICS,
DIFFUSION,
EQUATIONS OF MOTION,
STATISTICAL MECHANICS
- 82.20.Db
Physical chemistry Chemical kinetics Statistical theories (including transition state) - YEAR: 1986
PUBLICATION DATA
0021-9606 (print)
1089-7690 (online)
AIP
REFERENCES (9)
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- H. A. Kramers,
Physica 7, 284 (1940 ). - P. Pechukas, in Dynamics of Molecular Collisions, Part B, edited by W. H. Miller (Plenum, New York, 1976), Chap. 6.
- R. F. Grote and J. T. Hynes, J. Chem. Phys. 73, 2715 (1980).
- E. Cortes, B. J. West, and K. Lindenberg, J. Chem. Phys. 82, 2708 (1985), and references therein.
- G. van der Zwan and J. T. Hynes, J. Chem. Phys. 78, 4174 (1983);
- E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations (McGraw-Hill, New York, 1955).
- A. O. Caldeira and A. J. Leggett,
Ann. Phys. 149, 374 (1983 ). - W. H. Miller, N. C. Handy, and J. E. Adams, J. Chem. Phys. 72, 99 (1980).
- E. Pollak, Phys. Rev. A 33, 4244 (1986).
