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Encounter and Reaction Dynamics on the Potential of Mean Force

Department of Physical Chemistry University of Sydney NSW 2006 Australia [Pg.347]

In a stochastic formulation of bimolecular reactions the reaction is perceived to take place on a multidimensional potential surface under the influence of stochastic forces which mimic the collisions with the bath gas. [Pg.347]

It is usual to treat the separation coordinate R as the reaction coordinate, but this is strictly true only at large separations and fails if internal rearrangements dominate the position of the transition state in the full [Pg.347]

It is often easier to consider the problem of bimolecular reaction rate theory from the perspective of dissociation of the particles, and then to evaluate the recombination rate from the derived dissociation rate using the equilibrium constant. The principal difference between unimolecular and bimolecular reactions is in the treatment of angular momentum J. In unimolecular reactions the transition state is regarded as fixed by the internal coordinates simply because centrifugal effects are small. In bimolecular reactions this is not the case, as is demonstrated by the behaviour of the effective centrifugal potential [Pg.348]

In general, when any set of independent coordinates say by assumption of thermalization, the dynamics on the remaining coordinates occurs on the effective potential [Pg.349]


ENCOUNTER AND REACTION DYNAMICS ON THE POTENTIAL OF MEAN FORCE... [Pg.347]




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Dynamic force

Dynamics Potential

Encounter

Encounter dynamics

Force and potential

Forces and dynamics

Mean force

Potential forces

Potential mean force

Reaction force

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