Thermodynamics and phase equilibria

- Review of thermodynamics of single-component systems.

- Basic concepts of thermodynamics in multicomponent systems. Chemical potential, Gibbs-Duhem relation, variance.

- Concepts related to thermal analysis techniques used to construct binary/ternary diagrams: ATG, ATD, and DSC

- Construction and interpretation of binary phase diagrams based on thermodynamic quantities. Gibbs free enthalpy, pressure, and temperature diagrams as a function of the composition of the binary mixture. Liquid-liquid, liquid-vapor, and solid-liquid mixtures.

- Phase transformations: first- and second-order transitions, critical points. Examples.

- The supercritical state: definition, thermodynamic properties, most widespread industrial applications.

- Construction and interpretation of ternary phase diagrams: variance, definitions of ternary eutectic, first and second order peritectic, isothermal section, study of alloy cooling.

Hourly volumes:

CM: 13

TD: 7

- Know how to construct a phase diagram based on thermodynamic data (coordinates of critical points, phase change enthalpy values, etc.) and thermal analysis data.

- Understand the concepts of first- and second-order phase transitions.

- Identify the regions associated with phase equilibrium in diagrams. Provide the evolution of the appropriate thermodynamic functions based on the interpretation of a binary diagram (estimation of phase change enthalpy, Clapeyron equation).

- Identify critical points in a binary diagram. Know how to differentiate between the supercritical state and liquid and gas states in terms of their thermodynamic properties. Be familiar with the main industrial applications of supercritical fluids.

- Identify characteristic reactions in a ternary diagram: ternary eutectic, first-order peritectic, and second-order peritectic.

- Know how to interpret a binary or ternary diagram in order to understand the conditions for obtaining the desired phases or, conversely, to avoid the formation of undesirable phases and anticipate the properties and stability of materials.

General chemistry, principles of thermodynamics. Thermodynamics of phase transitions in a single-component system. Phase diagrams of a single-component system. Conditions for spontaneous evolution and equilibrium in a single-component system.

Bachelor's degree in Chemistry, Physics, Materials Science

Final Exam

- Basic concepts of multicomponent thermodynamics. Definition of thermodynamic state functions for a multicomponent system. Definition of chemical potential. Conditions for spontaneous change and equilibrium. Gibbs-Duhem relation. Molar free enthalpy diagrams as a function of composition for a mixture. Variance of a system.

- Vapor Pressure Diagram - composition of a binary liquid mixture. Construction and interpretation. Ideal solution, Raoult's law, Henry's law. Colligative properties.

- Temperature-composition diagram of a binary liquid mixture. Cases of miscible mixtures and partially miscible mixtures. Azeotropic mixtures. Construction and interpretation.

- Temperature-composition diagram of a binary solid mixture. Eutectic. Construction and interpretation.

- Phase transitions. Order parameters, first- and second-order transitions. Critical points. Examples: changes of state, phase transitions in polymers, phase transitions in solid materials (with and without diffusion).

- The supercritical state. Definition, thermodynamic properties, most widespread industrial applications (e.g., caffeine extraction with supercritical_CO2 ).

- Thermal analyses: Gravimetric thermal analysis, Differential thermal analysis, Differential scanning calorimetry: Definitions, interpretation of curves, uses of techniques for constructing phase diagrams

- Ternary diagrams: Definitions, variance, inverse segment rules, liquidus surface, solidus surface

- Ternary temperature-composition diagram: isothermal sections, ternary eutectic,^first-order peritectic,^second-order peritectic, study of slow cooling of a molten composition

• Physical Chemistry: Thermodynamics, Statistical Thermodynamics and Kinetics, Thomas Engel & Philip Reid, Pearson, 2018.
• “Atkins’ Physical Chemistry,” Peter Atkins, Julio de Paula & James Keeler,^11th edition, OUP Oxford, 2017.
• “Phase Equilibria, Phase Diagrams and Phase Transformations: Their Thermodynamic Basis,” Mats Hillert, Cambridge University Press,^2nd edition, 2007.
• “Ternary Phase Diagrams in Materials Science,” D. R. F. West, CRC Press, 2017.
• “The Liquid and Supercritical States of Matter,” John E. Proctor, CRC Press, 2020.
• Computational Thermodynamics of Materials, Zi-Kui Liu & Yi Wang, Cambridge University Press, 2016.