Lecture 12 Transition State Theory

Lecture 12 Transition State Theory - Transition State...

Info iconThis preview shows pages 1–3. Sign up to view the full content.

View Full Document Right Arrow Icon
Transition State Theory Based upon discussions with Scott Barnett & Chris Wolverton, will cover it this year here – it should be in 401. Basic assumptions: a) Consider the “top” of the Energy versus reaction co-ordinate plot as the “Transition State”. Note that the “reaction co-ordinate” is very general, and sometimes means something specific, other times can be (much) more complicated. b) Consider a quasi-static equilibrium between the initial state (reactants) and the transition state. c) Assume that some fraction of the concentration at the transition state moves over the barrier to the final state (products). d) Assume that the fraction that moves over is small enough that if does not effect b) at all. Take A, B as reactant(s), AB as transition state, C as product. K = [AB]/[A][B] = Z(AB)/{Z(A)Z(B)} Z(A) is the partition function for state A etc Take d as the distance we have to transverse to go over the barrier.
Background image of page 1

Info iconThis preview has intentionally blurred sections. Sign up to view the full version.

View Full DocumentRight Arrow Icon
Model 1 Consider that as part of the partition function for AB there is a 1-D translation term. We
Background image of page 2
Image of page 3
This is the end of the preview. Sign up to access the rest of the document.

Page1 / 3

Lecture 12 Transition State Theory - Transition State...

This preview shows document pages 1 - 3. Sign up to view the full document.

View Full Document Right Arrow Icon
Ask a homework question - tutors are online