Modelling of Phase Equilibria and Mixture Properties

This course dives into behaviour of pure compounds, mixtures, associated equations of state etc. Additionally, the course covers auxiliary properties like compressibility factor, phase envelope, phase compositions etc. The participants can also gain knowledge in the areas of pvT diagrams / isotherms charts, state variables, equations of state (cubic, caloric etc.),state functions (molar, specific etc.),Gibbs energy, phase equilibriums (solid, liquid, vapour),equations (Clapeyron’s, Antoine’s, van Laar etc.),coefficients (fugacity, activity etc.),ideal and real mixtures etc. Concepts related to temperature dependent properties, process simulation, thermodynamic equilibrium, gE models (van der Waals) etc. are sufficiently covered in this course.

The following course/module was developed at the TU Bergakademie Freiberg.

Learning outcomes / Competencies:

• Develop Scientific Thinking: Acquire a physical phase-compound based scientific knowledge, enabling (process) material engineers to understand the real behavior of mixtures and the occurrence of phase equilibria.
• Understanding Pure Compounds & Mixtures: Integrate methods and models to describe and predict the real behavior of mixtures and the occurrence of phase equilibrium.
• Establishing Phase Equilibria: Gain knowledge, analyze phase equilibrium situations (vapor/liquid, liquid/liquid, and solid/liquid) and apply thermodynamics principles for the study of equilibrium relationships within or between various phases.
• Selection of gE models: Comprehend gE models (Gibbs energy-equilibrium),facilitating an in-depth grasp of model boundary conditions, van der Waals based g𝐸-models and equations.
• Modelling of Solid/Liquid, Vapor/Liquid and Liquid/Liquid Equilibria: Explore binary parameters to transfer into multi-compound mixtures, providing analytical insights into the separation of coexisting phases (solid, vapor, liquid) and thereby resulting into mixtures composed of associating components.