Theory of Metallurgical Processes (FSI-HPC)

Academic year 2025/2026
Supervisor: doc. Ing. Antonín Záděra, Ph.D.  
Supervising institute: ÚST all courses guaranted by this institute
Teaching language: Czech
Aims of the course unit:

The objective of the course is to make students familiar with the thermodynamic fundamentals of metallurgical processes so that they can apply this knowledge when creating mathematical models of these processes, pursuing purposeful management based on the prediction of the progress or equilibrium of the process.
In the course, students will learn how to analyse the progress or equilibrium of specific metallurgical processes using mathematical models. They will also learn how to make use of the Mathcad program environment when modelling basic metallurgical processes.
Learning outcomes and competences:
 
Prerequisites:

Students must have the knowledge of inorganic chemistry (qualitative and quantitative aspects of chemical reactions and their energetics), principles of thinking in algorithms, structured approach to problem solutions, and working with PC under the Windows operating system. The course will summarize the basics of thermomechanics (1st law of thermodynamics - heat, work, internal energy, enthalpy. 2nd law of thermodynamics - entropy) necessary for understanding the nature of physico-chemical calculations in metallurgy.
Course contents:

Students are made familiar with the physical and chemical fundamentals of metallurgical processes to an extent that enables preparing mathematical models of these processes and controlling them purposefully. Derivation of fundamental relations of thermodynamic activities and partial molar enthalpies of the components of molten alloy. Criterial functions used in PC modelling of metallurgical processes. Creating models of the chemical processes inside alloys and at the interface of alloy and in surrounding environment. Modelling of selected metallurgical processes in the Mathcad program environment.
Teaching methods and criteria:
 
Assesment methods and criteria linked to learning outcomes:

Credit: Credit conditions: participation in exercises.

Exam: The exam examines knowledge of basic relationships and, in particular, the ability to apply them. The exam is written (preparation) and oral.

Participation in lectures is recommended, participation in exercises is mandatory. Controlled teaching is participation in exercises, and in case of repeated absences, the trainer will assign a topic for a separate written work.
Controlled participation in lessons:
 
Type of course unit:
    Lecture  13 × 2 hrs. optionally                  
    Computer-assisted exercise  13 × 2 hrs. compulsory                  
Course curriculum:
    Lecture 1. Equilibrium and thermodynamic probability of processes
2. Ideal solution, the Gibbs energy of components
3. Real solutions, chemical potential of components
4. Vapour pressure of components of real solutions, activity of components
5. Standard state of pure substance and 1% solution
6. The Van Hoff reaction isotherm
7. Thermal dissociation of gas compounds, equilibrium gas pressure
8. Oxygen dissolution in melts, deoxidation
9. Dissolution of nitrogen and hydrogen in melts. The Sieverts law.
10. Thermodynamics and kinetics of degassing
11. Reactions between the melt and refractories
12. The molecule and ion theory of slag
13. Equilibrium data on liquid steel- slag reactions of oxygen, phosphorus and sulphur.
    Computer-assisted exercise 1. Mathcad program environment, calculation of concentrations.
2. The Boudouard model and diagram.
3. Decomposition of limestone, calculation of decomposition temperature.
4. Analysis of the progress of redox reactions.
5. Calculation of metal vapour pressure, temperature dependence.
6. Calculation of activity coefficients in multi-component alloys.
7. Maximum solubility of oxygen in iron.
8. Calculation of equilibrium oxygen pressure of oxides.
9. Analysis of oxygen solution in Fe-Al-O alloys.
10. Analysis of carbon/oxide equilibrium in steel.
11. Dissolution of nitrogen in Fe and steel.
12. Reactions between the melt and refractories.
13. The oxygen transfer from slag to iron.
Literature - fundamental:
1. Hae-Geon Lee: Chemical Thermodynamics for Metals and Materials,1st ed. London: Imperial College Press. 1999
2. Turkdogan,E.T.: Fundamentals of Steelmaking, 1st ed. London: The Institute of Materials. 1996.
3. Moore,W.J.: Physical Chemistry, 4th ed. New Jersey: Prentice-Hall, Inc. 1972
4. Shamsuddin, M: Physical Chemistry of metallurgical Processes. Hoboken, New Jersey, USA: John Wiley & Sohns, 2016.
5. Seetharaman, S. et al.: Fundamentals of metallurgy,1st ed. Cambridge : Woodhead Publishing Limitid, 2005
Literature - recommended:
1. Myslivec,T.: Fyzikálně chemické základy ocelářství. 2.vyd. Praha: SNTL. 1971
2. Komorová,L., Imriš,I.: Termodynamika v hutníctve. 1. vyd. Bratislava: Alfa. 1989
3. Brdička,R., Dvořák,J.: Základy fysikální chemie. 2. vyd. Praha: Academia. 1977
The study programmes with the given course:
Programme Study form Branch Spec. Final classification   Course-unit credits     Obligation     Level     Year     Semester  
N-SLE-P full-time study --- no specialisation -- Cr,Ex 7 Compulsory 2 1 W