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