THERMODYNAMICS AND KINETICS OF MATERIALS
COURSE OBJECTIVE
Acquiring knowledge of the basics of thermodynamics, especially solid state thermodynamics. Adoption of basic thermodynamic concepts of phase equilibria and properties of solutions. Acquiring the knowledge needed to understand, interpret, and construct equilibrium state diagrams. Defining the influence of parameters that have their origin in thermodynamic quantities, on the formation, development of microstructure as well as behavior of materials. Adoption of basic concepts of solid state kinetics and understanding of kinetic models of solid state reactions in isothermal and non-isothermal conditions.
COURSE IMPLEMENTATION PROGRAM
1. Crystal lattice, crystal lattice energy of ionic crystal. Internal energy. Statistical thermodynamics, microstates and macrostates. Multiplicity. Entropy. Thermal and configurational entropy. Enthalpy. Real crystals. Equilibrium concentration of defects. Surfaces. Surface energy.
S. Calculation of equilibrium defect concentration.
2. Concepts of systems, phases and components. Equilibrium in thermodynamic systems, equilibrium criteria. Gibbs energy. One-component heterogeneous system, chemical potential of the component. Phase diagrams of one-component systems. Degree of freedom. Gibbs phase rule. Phase transformations, polymorphism.
L.P. Determination of heat capacity by differential scanning calorimetry.
3. Multicomponent heterogeneous systems, equilibrium conditions in a multicomponent heterogeneous system. Phase diagrams of two-component systems. Condensed systems. Lever rule. Phase diagrams of two-component systems in which no chemical compounds or solid solutions are formed. Eutectic reaction. Microstructure of crystallization material. Unbalanced processes.
S. Construction of an phase diagram of a simple two-component system from thermodynamic data.
4. Phase diagrams of two-component systems in which the formation of chemical compounds occurs. A system with a chemical compound that melts congruently, a system with a chemical compound that melts incongruently, a peritectic reaction. System with immiscibility in the liquid phase, monothetical reaction.
V. Construction of an phase diagram of a simple two-component system from experimental data (cooling curves).
5. Multicomponent, homogeneous system: solutions. Partial molar sizes. Ideal solutions. Regular solutions. Phase diagrams of two-component systems in which solid solutions are formed. A system with the formation of a solid solution in all proportions.
V. Dependence of miscibility on temperature
6. Solid solution systems with partial mixing. Systems with the formation of solid solutions in which polymorphic transformations occur, eutectoid and peritectoid reaction. Methods for calculating of phase diagrams. Experimental methods for determining phase diagrams.
S. Construction of an phase diagram of a hypothetical two-component system.
7. Three-component systems, application of lever rules in a three-component system. A single eutectic point system. Isopletal study in a three-component system. A system with a binary compound that melts congruently. A system with a binary compound that melts incongruently.
S. Interpretation of the phase diagram of a three-component system.
I. partial exam
8. Diffusion in the crystal lattice. Diffusion processes, heterogeneous diffusion. Diffusion mechanisms, vacation and interstitial mechanism. Mathematical description of the diffusion process. Stationary and nonstationary diffusion. Diffusion coefficient. Diffusion in ionic crystals. Diffusion in powder mixtures. Types of diffusion: internal diffusion, grain boundary diffusion, surface diffusion.
L.P. Determination of diffusion coefficient.
9. Nucleation process. Thermodynamic description of the nucleation process. Critical radius. Dependence of nucleation rate on temperature. Homogeneous and heterogeneous nucleation. Nucleation models. Nucleation promotional strategies.
L.P. Determination of the nucleation curve
10. Kinetics of reactions in the solid state. Peculiarities of solid state reactions. Spatial dimension. Dependence of reaction rate on temperature, activation state. Defining the range of the reaction. alpha-t curve. Characteristic stages of reaction progression in the solid state.
S. Computer analysis of the alpha-t curve, determination of the reaction model.
11. Processes resisting the process in the solid state. Solid state reaction models Geometric solid state reaction models. Kinetic models: models of diffusion, phase boundary reactions, nucleation and growth.
L.P. Kinetic analysis of nucleation and growth processes under isothermal conditions.
12. Laws of nucleation, laws of growth. Potential law of nucleation and growth. Avrami model. Real and extended conversion rate. Johnson-Mehl-Avrami model. Other models for nucleation and growth. Isoconversion methods.
L.P. Kinetic analysis of nucleation and growth processes in nonisothermal conditions.
13. Kinetic models of solid state reactions under nonisothermal conditions. Temperature integral. Integral and differential methods. Kissinger method. Modelless methods. Numerical methods.
II. partial exam
DEVELOPING GENERAL AND SPECIFIC COMPETENCIES OF STUDENTS
Knowledge of basic concepts of solid state thermodynamics, phase equilibrium and properties of solutions. Understanding, interpretation and construction of equilibrium state diagrams. Knowledge of parameters that affect the formation, development of microstructure and behavior of materials. Knowledge of basic concepts of solid state kinetics and kinetic models of solid state reactions.
STUDENTS 'TEACHING OBLIGATIONS AND THEIR PERFORMANCE:
Students are encouraged to attend lectures and are required to attend exercises and take partial exams.
CONDITIONS FOR OBTAINING A SIGNATURE:
Regular attendance at lectures and laboratory practice.
TEACHING METHODS:
Oral presentations with a PowerPoint presentation. The lab practices are of the laboratory type, the data processing contains a computer component. Seminars consist of solving problem and computational tasks.
METHOD OF EXAMINATION OF KNOWLEDGE AND EXAMINATION:
Colloquium, written exam only if the student does not pass the colloquium with knowledge. In addition to the success in the colloquia, ie the exam, the entire student's work will be taken into account in the assessment.
METHOD OF MONITORING THE QUALITY AND PERFORMANCE OF COURSES:
Student survey
METHODOLOGICAL PREREQUISITES:
Physical chemistry, Structure and properties of inorganic materials.
COURSE LEARNING OUTCOMES:
1. Reproduce basic thermodynamic principles and apply them in understanding, monitoring, predicting and directing the course of processes that occur during the production and use of materials.
2. Observe the influences of thermodynamic and kinetic parameters on the course of the material production process, the resulting microstructure and material properties
3. To connect knowledge from mathematics, chemistry, chemical engineering and the structure and properties of materials in order to identify, formulate and solve problems in the field of production and application of materials
4. Analyze the behavior of materials at the macro level having in mind the structure and microstructure of materials and phenomena at the micro level
5. Develop a critical way of thinking about the course of the material production process and the impacts on the material during use.
6. Understand professional standards and improve work ethic and gain motivation for further education and intellectual development.
7. Improve the ability of analytical thinking and knowledge synthesis, communication skills, critical thinking and the ability to reason.
8. Use instrumental techniques of material analysis and improve computer skills, analysis and data synthesis.
LEARNING OUTCOMES AT PROGRAM LEVEL
1. Knowledge and understanding of scientific principles important for chemistry and engineering of materials, especially in the field of chemistry, physics, mathematics and chemical engineering.
2. Knowledge and understanding of the four basic elements of material chemistry and engineering: structure, properties, production and use of materials.
3. Knowledge of different types of materials, especially ceramics, polymers and metals and alloys.
4. Knowledge of computer work, basics of programming, use of databases and programs for analysis and modeling.
5. Recognition of the need for further training.
6. Ability to apply the acquired knowledge in the production process and quality control-
7. Ability to select and apply appropriate methods and equipment of analysis related to the production and use of materials and critical analysis of results.
8. Ability to identify, define and solve problems in the field of chemistry and materials engineering
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R. T. DeHoff, Thermodynamics in Materials Science, McGraw-Hill, New York, 1993.
J. Maier, Physical Chemistry of Ionic materials, John Wiley & Sons, Chichester, 2004.
D. W. Ragone, Thermodynamics of Materials, John Wiley & Sons, New York, 1995.
H. Schmalzried, Chemical Kinetics of Solids, VCH, Weinheim, 1995.
C. G. Bergeron, S. H. Risbud, Phase Equilibria in Ceramics, The American Ceramic Society, Columbus, 1984.,
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Comprehensive Chemical Kinetics, Eds. C. H. Bamford i C. F. H. Tipper, Elsevier, Amsterdam, 1980.
J. H. Brophy, R. M. Rose, J. Wulff, Thermodynamics of Structure, J. Wiley & Sons, New York, 1974.,
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