Thermodynamics and Kinetics

Learning Outcomes

Knowledge and Understanding

Having successfully completed this module, you will be able to demonstrate knowledge and understanding of:

• Analyse and predict the kinetics of reaction sequences, and describe the basic dynamics of reactions.
• Explain fundamental thermodynamic concepts and use thermodynamic entities (enthalpy, entropy and free energy) with basic statistical mechanics to derive details of chemical equilibrium & change.
• Utilise your thermodynamics and kinetics knowledge and your understanding of the use of mathematical concepts to solve chemical problems.

Subject Specific Practical Skills

Having successfully completed this module you will be able to:

• Meet the learning outcomes of a co-requisite practical module.

Thermodynamics: Thermodynamic relationships requiring the use of calculus, principally relating to the thermodynamic definitions and use of entropy; Statistical thermodynamics introduced by a detailed consideration of entropy; The Boltzmann equation for entropy is used as the starting point to develop an understanding of the effect of a given system configuration to the properties of the overall system; Boltzmann’s equation is developed from the point of view of maximising entropy subject to constraints; this leads to the definition of the partition function; The link between Boltzmann’s equation, entropy and Gibbs free energy is developed; The statistical perspective of equilibrium constants is explored using schematic representations of the occupancy of system levels and a specific relationship between equilibrium constant and partition function is identified.

Reaction Kinetics: The mechanisms of elementary reactions will be analysed in closer detail covering ideas of reaction dynamics and Transition State Theory. Gas and Liquid phase reactions will be compared, and complex reaction mechanisms analysed using the steady state assumption and numerical solutions in the context case studies of combustion and catalysis.

Lectures, problem classes, online video materials, case studies and laboratory sessions.

Summative

This is how we’ll formally assess what you have learned in this module.