CH 408 : Molecular Energetics and Dynamics


Statistical view of entropy. Laws of thermodynamics from statistical considerations Molecular view of temperature and heat capacity. Boltzmann distribution. Thermodynamic quantities in terms of partition functions. Statistical mechanics of simple gases and solids. Equilibrium constant in terms of partition functions. Bose-Einstein and Fermi-Dirac statistics. Overview of rate laws and determining rates and orders of reactions. Complex Reactions. Catalysis. Temperature dependence and Arrhenius law. Potential energy surfaces. Kinetic theory of collisions. Transition state theory. RRK and RRKM theories. Reaction cross-sections, rate coefficients, reaction probabilities. Photochemical reactions. Ultrafast reactions. Diffusion in solids, liquids and solutions. Chemical oscillations and nonlinear dynamics.

Text References

1) Molecular Driving Forces: Statistical Thermodynamics in Chemistry and Biology/ by K. A. Dill and S. Bromberg, Garland Science, 2003.
2) Molecular Thermodynamics by D. A. McQuarrie, and J. D. Simon, Viva Books, 2004.
3) Atkins' Physical Chemistry by P. Atkins and J. De Paula, 8th edition, Oxford University Press, 2006.
4) Chemical Kinetics by K. J. Laidler, 3rd Edition, Prentice Hall, 1987.
5) Chemical Kinetics and Dynamics by J. I. Steinfeld, J. S. Francisco and W.L. Hase, 2nd Edition, Prentice Hall, 1999.
6) Chemical Kinetics and Reaction Dynamics by P. L. Houston McGraw-Hill Higher Education, 2001.