Course detail

Chemical Thermodynamics and Kinetics

FSI-WCTAcad. year: 2024/2025

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.

Language of instruction

Czech

Number of ECTS credits

4

Mode of study

Not applicable.

Guarantor

prof. RNDr. Karel Maca, Dr.

Department

Institute of Materials Science and Engineering (ÚMVI)

Entry knowledge

Student has to have high-school knowledge of mathematics and physics, and chemistry (general, inorganic and organic chemistry).

Rules for evaluation and completion of the course

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
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.

Aims

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.
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.

Study aids

Not applicable.

Prerequisites and corequisites

Not applicable.

Basic literature

K. Maca: Základy chemické termodynamiky a kinetiky, učební texty ÚMVI, 2005 (CS)
R. T. De Hoff: Thermodynamics in Materials Science, McGraw Hill, New York 1993 (EN)
W. J. . Moore, Fyzikální chemie, SNTL, Praha 1979 (CS)

Recommended reading

Not applicable.

Classification of course in study plans

  • Programme N-MTI-P Master's 1 year of study, winter semester, compulsory

  • Programme C-AKR-P Lifelong learning

    specialization CZS , 1 year of study, winter semester, elective

Type of course unit

 

Lecture

26 hod., optionally

Teacher / Lecturer

prof. RNDr. Karel Maca, Dr.

Syllabus

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

14 hod., compulsory

Teacher / Lecturer

prof. RNDr. Karel Maca, Dr.

Syllabus

1. Laboratory work - FME
2. Laboratory work - CEITEC

Computer-assisted exercise

12 hod., compulsory

Teacher / Lecturer

prof. RNDr. Karel Maca, Dr.

Syllabus

  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