Dr. Aniruddha Chakraborty

COURSE DETAILS                                                                       <<back

In this course simple concept of probability will be used to predict the outcome of events e.g. why it is that chemical reactions approach equilibrium and why the natural unpredictability of random events makes equilibrium a dynamic state. But for understanding what is really going on, one has to start with the idea of energy. Although the concept of energy itself would not be enough to explain why some chemical reactions occur and some do not. For that we need to add the concept of entropy, which is a measure of all possible ways energy can be distributed. Entropy is actually the key to understanding, what is going on in real chemical processes. Unlike energy, Entropy is not conserved, and that fact alone drives natural processes in the direction “forward in time.”

Key points: Start with the concept of probability, then add energy and at the end add entropy.

Module 1:Probability, Distributions, and Equilibrium:

Distributions, Relative Probability and Fluctuations, Equilibrium, Most Probable Distribution, Le Chˆatelier’s Principle, Equilibrium Amounts and Equilibrium Constants. 6 hrs

Module 2:Energy Levels in Real Chemical Systems:

Real Chemical Reactions, The Quantized Nature of Energy, Distributions of Energy Quanta in Small Systems, Probability of a Particular Distribution of Energy, Most Probable Distribution, Energy Level Separation, Fraction of reactive Particles. 6 hrs

Module 3:First Law of thermodynamics, - bonding and internal energy:

Internal Energy, Chemical Bond, Mean Bond Dissociation Energies and Internal Energy, Using Bond Dissociation Energies to Understand Chemical Reactions, The “High-Energy Phosphate Bond” and Other Anomalies, Beyond Covalent bond, Modern View of Bonding. 8 hrs

Module 4: Entropy and the second law:

Energy Does Not Rule, Entropy Comparisons Are Informative, Standard Change in Entropy for a Chemical Reaction. 4 hrs

Module 5: Enthalpy and the surroundings:

Enthalpy vs. Internal Energy, High Temperature Breaks Bonds. 2 hrs

Module 6: Gibbs Energy and Equilibrium Constant:

The Second Law - Again, Concept of equilibrium, The “Low Enthalpy/High Entropy Rule”, Quantitative Look at Melting Points, Vapor Pressure, Barometric Pressure, and Boiling, Isomerization Reactions, Experimental Data Can Reveal Energy Level Information, Application to Real Chemical Reactions. 8 hrs

Module 7: Applications of Gibbs Energy - Phase Changes:

Evaporation, Boiling, Sublimation, Vapor Deposition, Solubility, Impure Liquids.2hrs

Module 8: Applications of Gibbs Energy - Electrochemistry:

Electrical Work Is Limited by the Gibbs Energy, Gibbs Energy and Cell Potential, Actual Cell Voltages and the Nernst Equation. 6 hrs

Text Book:

• Introduction to Molecular Thermodynamics, R. M. Hanson and S. Green, University Science Books, 2008. Interactive guide: http://www.stolaf.edu/depts/chemistry/imt/concept/index.htm.

Reference Books:

• Molecular Thermodynamics, D. A. Mcquarrie and J. D. Simon, University Science Books, 1999.

• Molecular Thermodynamics, Richard E. Dickerson, W. A. Benjamin, 1969.

• Molecular Thermodynamics: A Statistical Approach, James W. Whalen, 1991.

• Molecular Thermodynamics: An Introduction to Statistical Mechanics for Chemists, J. H. Knox, 1978.

• Molecular thermodynamics, James A Fay, 1962.

Distribution of Marks:

Assignments* : 30%, Quiz 1: 10%, Quiz 2: 10%, Final Exam: 50%.

*One literature report, two regular assignments, one reading assignment & one interactive assignment.