SubjectsSubjects(version: 954)
Course, academic year 2023/2024
  
Chemical Equilibria - M403012
Title: Chemické rovnováhy
Guaranteed by: Department of Physical Chemistry (403)
Faculty: Faculty of Chemical Engineering
Actual: from 2020
Semester: winter
Points: winter s.:2
E-Credits: winter s.:2
Examination process: winter s.:
Hours per week, examination: winter s.:1/1, Ex [HT]
Capacity: unlimited / unlimited (unknown)
Min. number of students: unlimited
State of the course: taught
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
Level:  
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Řehák Karel doc. Ing. CSc.
Interchangeability : N403025
This subject contains the following additional online materials
Annotation -
A review of approaches for solving of basic chemical and ionic equilibrium is carried out. An extension for simultaneous reactions is then explained. Non-stoichiometric forms of equilibrium conditions and method of solving chemical equilibrium in systems with high number of reactions is discussed. Thermodynamic properties of the system containing solid solutions and alloys are demonstrated as well.
Last update: Řehák Karel (07.02.2018)
Aim of the course -

Students will be able to:

  • calculate the chemical equilibrium for simple reactions,
  • solve chemical or ionic equilibrium for small number of simultaneous reactions,
  • understand of approaches for solving chemical equilibrium in systems with high number of reactions
  • solve chemical equilibrium in systems containing solid phase

Last update: Řehák Karel (07.02.2018)
Literature -

R: Smith W.R. and Missen R.W.: Chemical Reaction Equilibrium Analysis, Theory and Algorithms, John Wiley & Sons, 1982

A: Holub R., Voňka P.: Chemická rovnováha heterogenních a kondenzovaných soustav, Academia Praha 1984

Last update: Řehák Karel (07.02.2018)
Learning resources -

Basic information and learning resources: See the E-learning

Last update: Řehák Karel (07.02.2018)
Syllabus -

1. Stoichiometry and mass balance equations. Stoichiometric form of equilibrium conditions.

2. Calculation of chemical equilibrium for a single reaction.

3. Thermochemical data of compounds and their reprocessing to required conditions.

4. Chemical equilibrium at constant volume and temperatute. Utilization of extensive criterions of equilibrium.

5. Stochiometry of simultaneous reactions. Stoichiometric and non-stoichiometric forms of mass balance.

6. Stoichiometric form of solution of chemical equilibrium for simultaneous reactions.

7. Solving of complex ionic equilibria (polyprotic acids, ampholytes, buffer solutions)

8. Demonstration of PHREEQC (professional freeware) and its capabilities. Database JESS.

9. Chemical equilibria in biological systems I: an introduction to protein thermodynamics.

10. Chemical equilibria in biological systems II: multidomain proteins, protein-ligand interactions.

11. Basic principles of mathematical programming. Lagrange function, Kuhn-Tucker conditions.

12. Utilization of mathematical programming for solution of complex chemical equilibrium (non-stochiometric solution)

13. Chemical equilibrium in systems containing pure solids. Decomposition temperature of solids.

14. Chemical equilibrium in two- and three-component heterogeneous systems.

Last update: Řehák Karel (15.09.2023)
Registration requirements -

Fyzikální chemie I, nebo Fyzikální chemie A,B

Last update: Řehák Karel (07.02.2018)
Course completion requirements -

The exam computational test

Last update: Řehák Karel (02.03.2018)
Teaching methods
Activity Credits Hours
Účast na přednáškách 0.5 14
Příprava na zkoušku a její absolvování 1 28
Účast na seminářích 0.5 14
2 / 2 56 / 56
 
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