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Course10410112847 lectures

Chemical kinetics and transition state theory

Prof. Amber Jain · IIT Bombay

Start with lecture 1 At NPTEL

Lectures

Week 1

  1. Lecture 1 : Rate: the reaction velocity Video
  2. Lecture 2 : Its elementary - rate law equations Video
  3. Lecture 3 : Arrhenius equation: what's the fuss about? Video
  4. Lecture 4 : Dance of atoms: from Newton to Hamilton Video
  5. Lecture 5 : Boltzmann distribution: a story of Hamilton, Liouville and Boltzmann Video
  6. Lecture 6 : Maxwell Boltzmann distribution: how fast are molecules moving? Video

Week 2

  1. Lecture 7 : Kinetic theory of collisions: initial estimate Video
  2. Lecture 8 : Boltzmann distribution and kinetic theory of collisions Video
  3. Lecture 9 : Kinetic theory of collisions: a discussion Video
  4. Lecture 10 : Kinetic theory of collisions: reactive cross section Video
  5. Lecture 11 : Problem solving session 1 Video
  6. Lecture 12 : Problem solving session 2 Video

Week 3

  1. Lecture 13 : Kinetic theory of collision and equilibrium constant Video
  2. Lecture 14 : Critique of kinetic theory of collisions Video
  3. Lecture 15 : Transition state theory and partition functions Video
  4. Lecture 16 : Partitioning the partition function Video
  5. Lecture 17 : Translating, rotating and vibrating quantum mechanically Video
  6. Lecture 18 : Partition function and equilibrium constant Video
  7. Lecture 19 : What is a transition state? Video

Week 4

  1. Lecture 20 : A puzzle: cars on highway Video
  2. Lecture 21 : Transition state theory: derivation 1 Video
  3. Lecture 22 : Practical calculation of TST rate Video
  4. Lecture 23 : Calculating TST rate for the reaction H+HBr Video
  5. Lecture 24 : Collision theory as a special case of TST Video
  6. Lecture 25 : TST: an intuitive proof in one dimension Video

Week 5

  1. Lecture 26 : Rate as a flux across a dividing surface Video
  2. Lecture 27 : Transition state theory: derivation 2 from dynamical perspective Video
  3. Lecture 28 : Discussion of the assumptions of TST Video
  4. Lecture 29 : Thermodynamic formulation of TST Video
  5. Lecture 30 : Problem solving session 3 Video
  6. Lecture 31 : Problem solving session 4 Video

Week 6

  1. Lecture 32 : Hills and valleys of potential energy surfaces Video
  2. Lecture 33 : Molecular dynamics: rolling spheres on potential energy surfaces Video
  3. Lecture 34 : Predictions from potential energy surfaces - rotational vs vibrational energies Video
  4. Lecture 35 : Free energy and potential of mean force Video
  5. Lecture 36 : Transmission coefficient and molecualr dynamics Video
  6. Lecture 37 : Problem solving session 5 Video

Week 7

  1. Lecture 38 : Microcanonical rate constant: putting balls in jars Video
  2. Lecture 39 : Microcanonical rate constant: RRK model Video
  3. Lecture 40 : Microcanonical rate constant: magic of Marcus - RRKM model Video
  4. Lecture 41 : Canonical TST from micrononical RRKM model Video
  5. Lecture 42 : Sum and density of states Video

Week 8

  1. Lecture 43 : Unimolecular decay - revisited Video
  2. Lecture 44 : Unimolecular decay: RRK's approach Video
  3. Lecture 45 : Unimolecular decay: RRKM's approach Video
  4. Lecture 46 : Problem solving session 6 Video

Live Session

  1. Live Session 02-03-2021 Video

Syllabus and materials

At NPTEL, as the course publishes them.

Credits and licence

Institution
IIT Bombay
Department
Chemistry and Biochemistry
Teacher
Prof. Amber Jain
Level
Undergraduate
Language
English
Subjects
Chemistry
Source
NPTEL
Licence
CC BY-NC-SA, as NPTEL states it. Non-commercial use only. NPTEL's terms
Attribution
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