NPTEL : NOC:Chemical Kinetics and Transition State Theory (Chemistry and Biochemistry)

Co-ordinators : Prof. Amber Jain


Lecture 1 - Rate: the reaction velocity

Lecture 2 - Its elementary - rate law equations

Lecture 3 - Arrhenius equation: what's the fuss about?

Lecture 4 - Dance of atoms: from Newton to Hamilton

Lecture 5 - Boltzmann distribution: a story of Hamilton, Liouville and Boltzmann

Lecture 6 - Maxwell Boltzmann distribution: how fast are molecules moving?

Lecture 7 - Kinetic theory of collisions: initial estimate

Lecture 8 - Boltzmann distribution and kinetic theory of collisions

Lecture 9 - Kinetic theory of collisions: a discussion

Lecture 10 - Kinetic theory of collisions: reactive cross section

Lecture 11 - Problem solving session - 1

Lecture 12 - Problem solving session - 2

Lecture 13 - Kinetic theory of collision and equilibrium constant

Lecture 14 - Critique of kinetic theory of collisions

Lecture 15 - Transition state theory and partition functions

Lecture 16 - Partitioning the partition function

Lecture 17 - Translating, rotating and vibrating quantum mechanically

Lecture 18 - Partition function and equilibrium constant

Lecture 19 - What is a transition state?

Lecture 20 - A puzzle: cars on highway

Lecture 21 - Transition state theory: derivation 1

Lecture 22 - Practical calculation of TST rate

Lecture 23 - Calculating TST rate for the reaction H+HBr

Lecture 24 - Collision theory as a special case of TST

Lecture 25 - TST: an intuitive proof in one dimension

Lecture 26 - Rate as a flux across a dividing surface

Lecture 27 - Transition state theory: derivation 2 from dynamical perspective

Lecture 28 - Discussion of the assumptions of TST

Lecture 29 - Thermodynamic formulation of TST

Lecture 30 - Problem solving session - 3

Lecture 31 - Problem solving session - 4

Lecture 32 - Hills and valleys of potential energy surfaces

Lecture 33 - Molecular dynamics: rolling spheres on potential energy surfaces

Lecture 34 - Predictions from potential energy surfaces - rotational vs vibrational energies

Lecture 35 - Free energy and potential of mean force

Lecture 36 - Transmission coefficient and molecualr dynamics

Lecture 37 - Problem solving session - 5

Lecture 38 - Microcanonical rate constant: putting balls in jars

Lecture 39 - Microcanonical rate constant: RRK model

Lecture 40 - Microcanonical rate constant: magic of Marcus - RRKM model

Lecture 41 - Canonical TST from micrononical RRKM model

Lecture 42 - Sum and density of states

Lecture 43 - Unimolecular decay - revisited

Lecture 44 - Unimolecular decay: RRK's approach

Lecture 45 - Unimolecular decay: RRKM's approach

Lecture 46 - Problem solving session - 6