NOC:Chemical Kinetics and Transition State Theory

Media Storage Type : 32 GB USB Stick

NPTEL Subject Matter Expert : Prof. Amber Jain

NPTEL Co-ordinating Institute : IIT Bombay

NPTEL Lecture Count : 46

NPTEL Course Size : 4.2 GB

NPTEL PDF Text Transcription : Available and Included

NPTEL Subtitle Transcription : Available and Included (SRT)

Lecture Titles:

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