The course deals with the fundamental concepts of the statistical thermodynamics and with its chemical applications.
Notions of chemical thermodynamics ad of molecular quantum mechanics.
Course contents summary
Statistical thermodynamics concepts. The distribution of molecular states. The molecular partition function.
Internal energy and entropy. Internal energy and molecular partition function. The statistical entropy
The canonical partition function. The canonical ensemble. The thermodynamic information in the partition function. Independent molecules.
Fundamental relations of the statistical mechanics. Internal energy, entropy, Helmholtz energy, pressure, enthalpy and Gibbs energy.
Applications of the statistical thermodynamics. The contributions to the molecular partition function. The mean molecular energies. Equation of states for ideal and real gases. Residual entropies. Equilibrium constants.
Transition state theory. Potential energy surface and transition state. The rate decay and the concentration of the transition state. The Eyring equation for the rate constant.Thermodynamic aspects: activation parameters, ion reactions.
Atkins,P., and J. de Paula. Physical Chemistry. New York, NY: W.H. Freemanand Company, 2001.