C6730 Phase Equilibria

Faculty of Science
Autumn 2007 - for the purpose of the accreditation
Extent and Intensity
2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
Teacher(s)
prof. RNDr. Jiří Sopoušek, CSc. (lecturer)
Guaranteed by
prof. RNDr. Jiří Sopoušek, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Jiří Sopoušek, CSc.
Prerequisites
It is recommended knowledge of physical chemistry and mathematics (for example in scope of study on Faculty of Sciences MU or Brno University of Technology).
Course Enrolment Limitations
The course is also offered to the students of the fields other than those the course is directly associated with.
fields of study / plans the course is directly associated with
there are 22 fields of study the course is directly associated with, display
Course objectives
The course is especially designed for students of chemistry and material engineering. The contents consists chiefly of following items: thermodynamics of non-ideal several-component systems, essential conditions for phase coexistence, phase diagrams, phase transformations, kinetics of phase formation and disappearing, diffusion inside solid state, thermal analysis and its applications, methods of calculations and predictions of phase diagrams, and potency of kinetic simulations. The themes are complemented by examples (rectification, extraction, material heat treatment, separation, material microstructures, nucleation, optimisation of mechanical properties, material design, life-time of materials, ). An attained knowledge allows to understand correctly and to solve a great group of practical problems, which occurs in chemical laboratory, technical practice or during new material production qualifiedly.
Syllabus
  • 1. Basic terms. Thermodynamic functions of pure substance and several component mixtures. Standard state. Phase nomenclature. Gibbs-Duhem equation. Gibbs energy of real system. Excess functions. 2. Phase structures and their crystallography. Lattice defects. Thermodynamics of stoichiometry and non-stoichiometry phases and chemical compounds. Conservation laws of mass, charge, and stoichiometry in thermodynamic systems. Phase rule and phase stability. 3. Gibbs energy of system. Chemical potential and activity. Differential equations of phase equilibrium, integral equation of phase equilibrium. Phase equilibrium formation. 4. Mathematical solution of phase equilibrium. Calculations and predictions of phase diagrams. Methods, programmes and thermodynamic databases for phase equilibrium calculations. CALPHAD approach. 5. Phase diagrams. Fundamental types of phase diagrams, visualisation, possible phase boundaries, and phase diagram cross-sections. Use of phase diagrams. 6. Experimental methods of phase equilibria study. Gain of phase data and thermodynamic data. Measurements of thermodynamic functions. Thermal analysis (cooling curves, DTA, DSC, ...). Data sources and their accuracy. 7. Real phase equilibria. Unary systems, binary systems (coexistence of gas, liquid, and solid phases; mixture of volatile liquids; distillation; sublimation; dissolutions). Phase diagrams of several component systems (coexistence of solid phases; extraction; purification; chemical compounds inside phase diagram; intermetallics). 8. Examples of phase equilibrium and phase diagram calculations for systems. Relationship between phase, physical, and mechanical properties. 9. Phase transformations. Stable and metastable phase equilibria. Diffusion-less phase transformations. Role of diffusion and nucleation at equilibrium establishing. 10. Diffusion. Essentials. Atomic mechanisms of diffusion. Fick`s laws of diffusion. Boundary conditions. Analytical and numerical solutions of diffusion equations. 11. Diffusion in real systems. Atomic mobility. Mass fluxes. Kinetic and thermodynamic factors of diffusion. 12. Diffusion controlled phase transformations. Heterogeneous real systems. Diffusion and equilibrium at high and low temperatures. Simulation programmes (DICTRA). 13. Phase equilibria and diffusion controlled processes in chemical laboratory and technology. Coarsening and dissolving of phases, optimisation of material technology treatment, homogenization, nitriding, weld stability, protective layers, transformation diagrams, ...
Literature
  • SAUNDERS, Nigel and Peter A. MIODOWNIK. Calphad :calculation of phase diagrams : a comprehensive guide. Oxford: Pergamon, 1998, xvi, 479 s. ISBN 0-08-042129-6. info
  • PORTER, David A. Phase Transfformations in Metal and Alloys. New York: Van Nostrand Reinhol, 1981, 445 s. ISBN 0-442-30439-0. info
Language of instruction
Czech
Further comments (probably available only in Czech)
The course is taught annually.
The course is taught: every week.
The course is also listed under the following terms Spring 2000, Autumn 2010 - only for the accreditation, Spring 2002, Autumn 2004, Autumn 2006, Autumn 2007, Autumn 2008, Autumn 2009, Autumn 2010, Autumn 2011, Autumn 2011 - acreditation, Autumn 2012, Autumn 2013, Autumn 2014, Autumn 2015, Autumn 2016, autumn 2017, Autumn 2018, Autumn 2019, Autumn 2020, autumn 2021, Autumn 2022, Autumn 2023, Autumn 2024.