Molecular Thermodynamics

The courses is divided into three moduli. (1) The first modulus discusses the criteria for systems to be thermally, mechanically, and chemically stable. The conditions are expressed in terms of the familiar state functions, the derived equations of states, and the measurable properties such as heat capacity and compressibility. (2) The second modulus presents the statistical treatments to the ideal and non-ideal fluids and solids. The connections are made between the thermodynamic properties, e.g. Helmholtz and Gibbs free energy, and the intermolecular interactions. Micro-canonical, canonical, and grand-canonical ensembles are introduced, and their relation to thermodynamic potentials discussed. The applications of such ensembles for deriving equations of states and for evaluating statistical fluctuations are demonstrated. (3) The third modulus address the basics of phase transitions. The topics covered includes: connection of phase transition and stability limit, difference between continuous and discontinuous phase transition, equilibrium criteria for phase coexistence, and basic simulation methods for molecular systems. The statistical interpretation of entropy is the foundation of this course, the application will be emphasized throughout lectures and in homework exercises.