Chemical Thermodynamics and Kinetics (FSI-WCT)

Academic year 2023/2024
Supervisor: prof. RNDr. Karel Maca, Dr.  
Supervising institute: ÚMVI all courses guaranted by this institute
Teaching language: Czech
Aims of the course unit:
The objective of the course is to inform students about selected basic terms, principles and relations of classical chemical thermodynamic and kinetic, which are necessary for understanding of physical-chemical problems of material science, and to teach the students how to apply them. Another, by no means negligible task, is to develop students' logical and abstract thinking.
Learning outcomes and competences:
Students will obtain basic knowledge of classical chemical thermodynamics and kinetics of selected engineering processes, and will understand their logic and how to apply them for solution of engineering tasks aided by literature sources and databases.
Prerequisites:
Student has to have high-school knowledge of mathematics and physics, and chemistry (general, inorganic and organic chemistry).
Course contents:
Course deals with basic terms, principles and relations of classical chemical thermodynamics and kinetics, which are necessary for understanding of physical-chemical problems of material science. Chemical thermodynamics is focused on basic thermodynamic principles, variables and relations, description of equilibrium in single- and multi-component homogenous and heterogeneous systems, and on phase diagrams. Multi-component chemical reactive systems and problem of capillarity are also mentioned.
Kinetics shows basic kinetic philosophy of physical-chemical processes in heterogeneous systems, particularly phase transformations diffusion and sintering.
Teaching methods and criteria:
The course is taught through lectures explaining the basic principles and theory of the discipline. Teaching is suplemented by theoretical exercises and also by practical laboratory work.
Assesment methods and criteria linked to learning outcomes:
Conditions of credit landing are presence in practical lessons and written tests.
There will be two written tests during the semester. Student has to be classified better than F at both tests. The assistant determines dates of corrective tests.
Examination verifies the knowledge of the theory and particularly its application. It contains written and oral parts. Examiner assesses the relative importance of oral and written parts of the exam, he can take into account student’s activity during the semester. The examiner has to familiarize students (at the latest during the last lecture) with the course of examination and with the principles of classification
Controlled participation in lessons:
Attendance at all practical lessons and fulfilment of assignments are required. In case that students do not meet these conditions they can be given additional assignments.
Type of course unit:
    Lecture  13 × 2 hrs. optionally                  
    Laboratory exercise  7 × 2 hrs. compulsory                  
    Computer-assisted exercise  6 × 2 hrs. compulsory                  
Course curriculum:
    Lecture

OUTLINE


1.Structure of chemical thermodynamics. Classification of thermodynamic systems, variables and relations. Equilibrium criteria.


2. Thermodynamics principles. 1st, 2nd and 3rd thermodynamic principle.


3. Thermodynamic relations and variables. General strategy of thermodynamic relations derivation.


4. Equilibrium in thermodynamic systems. General criteria and general conditions of thermodynamic equilibrium derivation. Gibbs phase rule.


5. Single-component heterogeneous system. Single-component phase diagrams in (p,T) range. Clausius-Clapeyron equation.


6. Multi-component, homogenous non-reactive systems – solutions. Partial molar quantities. Chemical potential in multi-component systems.


7. Multi-component heterogeneous non-reactive systems. Description of multi-phase, multi-component, non-reactive systems. Ideal solutions, Raoult’s law. Equilibrium criteria.


8. Multi-component, multi-phase, reactive systems. Reactions in multi-phase systems. Components and compounds in phase diagrams. Van’t Hoffs isotherm and its application in materials engineering.


9. Equilibrium criteria in systems with curved surfaces. Capillary effects. Surfaces and inter-surfaces. Grain boundaries.


10. Kinetics and dynamics of solid-state processes. Transport in solid substances. Diffusion. Activation energy of diffusion.


11. Sintering and grain growth. Solid-state sintering. Liquid phase sintering. Sintering models.


12.  Sintering and grain growth. Pressure-activated sintering. Grain growth.


13. Summary of topics for the exam.


 
    Laboratory exercise

1. Laboratory work - FME
2. Laboratory work - CEITEC
    Computer-assisted exercise

  1. Introductory written test, chemical terminology

  2. Chemical equations, calculations according to chemical equations

  3. Redox reactions

  4. Thermochemistry – heat capacity, reaction heat

  5. Thermochemistry – temperature dependence of reaction heat

  6. First written test

  7. Dependence of Gibbs energy on temperature

  8. Clapeyron, Clausius-Clapeyron equation

  9. Systems with multiple components, expression of composition

  10. Surface energy, Laplace’s law

  11. Second written test


 
Literature - fundamental:
1. R. T. De Hoff: Thermodynamics in Materials Science, McGraw Hill, New York 1993
2. W. J. . Moore, Fyzikální chemie, SNTL, Praha 1979
3. K. Maca: Základy chemické termodynamiky a kinetiky, učební texty ÚMVI, 2005
The study programmes with the given course:
Programme Study form Branch Spec. Final classification   Course-unit credits     Obligation     Level     Year     Semester  
N-MTI-P full-time study --- no specialisation -- Cr,Ex 4 Compulsory 2 1 W