**Advanced Thermodynamics**

**Date: 2019 to be planned**

Location course: TU Delft

Location course: TU Delft

Carlos Infante Ferreira, Brian Tighe, Wim Buijs, Li-Chiang-Lin, Thijs J.H. Vlugt

Knowledge on equilibrium thermodynamics is of crucial importance for the design, operation, and optimization of processes in industry. In this course, we will present both the fundamentals and application of basic and more advanced concepts in the field of thermodynamics. Important applications are for example: phase equilibria, transport processes, coupled transport of heat and mass, activity coefficients in the liquid phase, and mixing behaviour of liquids. The following four topics will be covered during the course.

__Topic 1: Equilibrium Thermodynamics: Equations of states and models for the Excess Gibbs energy of mixtures__We will briefly discuss equilibrium thermodynamic fundamentals. From there, we will examine some equation of state models and review their use with experimental data for pure component systems and mixtures.

__Topic 2: Exergy analysis__This will be dedicated to the second law analysis of systems including entropy production and exergy losses as methods to identify and prevent the losses in quality of energy. The exergy losses during fluid flow and heat transfer through the components of the systems (as heat exchangers) will be studied including the impact of gliding temperatures. The losses in closed thermodynamic cycles will be analysed in comparison to reversible cycles. The methods of visualization of exergy / entropy losses will be discussed and applied to cycles such as the ORC.

__Topic 3: Statistical mechanics__These lectures will introduce statistical mechanics as a bridge between equilibrium thermodynamics and mechanics of fluids on the microscale. We introduce the partition function and derive its relation to thermodynamic observables. We describe the radial distribution function, derive the virial equation of state, and discuss methods for calculating the partition function in model fluids of increasing density and/or interaction strength.

__Topic 4: Molecular Simulation__Molecular simulation is a useful tool to compute and predict thermodynamic and transport properties of materials using only interactions between molecules as input. Using basic concepts from statistical mechanics, the Monte Carlo and Molecular Dynamics simulation techniques will be introduced. The exercises will illustrate how standard software for molecular simulation can be used for the prediction of properties of materials important for industry.