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This module examines two important areas of Physical Chemistry:
(i) Statistical Thermodynamics. This course starts with the partition function and the contributions that translation, rotation and vibration make to the partition function. The application of statistical thermodynamics to the calculation of entropy, enthalpy, Gibbs energy, heat capacity and equilibrium constants is then described.
(ii) Reaction Dynamics. The basic theories of chemical kinetics (Arrhenius Equation and simple collision theory) are outlined and then developed with a detailed description of Transition State theory. Use is made of the molecular partition functions treated in (i) to predict rates of selected reactions. State to state reaction dynamics are discussed in the framework of the model LEPS potential energy surface.