### CHEM444 Statistical Thermodynamics & Reaction Dynamics

*Unit I (Equilibrium Thermodynamics –Review)*Review of equilibrium thermodynamics. First law, second law, third law of thermodynamics, chemical equilibrium, equilibrium electrochemistry. Students are expected to work numerical problems and read themselves.

*Unit II (Statistical Thermodynamics – Partition function and implications)*Probability, Bose-Einstein, Fermi-Dirac, Boltzmann statistics and distribution and sterling’s approximation, Partition function and thermodynamic properties - Partition function- translational, rotational, vibrational, electronic,- entropy, energy and heat capacity – heat capacity of solids – equilibrium constant

*Unit III (Non-equilibrium Thermodynamics)*Entropy production, flux-force relationship, Onsager reciprocal relationship, electrochemical potential, steady state entropy

*Unit IV (Reaction Dynamics)*Potential energy surfaces-electronically excited molecules, bimolecular collisions, Molecular beam Scattering, statistical approach of reaction dynamics to transition state theory, unimolecular reaction dynamics, transition state theory of solution reactions, kramers’s theory,

*Unit V (Electrode Kinetics)*Electrical double layer, Aspects of electrochemical reactions, elucidation of mechanism of an electrode reaction