PřF:C8820 Chemical Equilibria and Kineti - Course Information
C8820 Chemical Equilibria and Kinetics Analysis
Faculty of ScienceSpring 2023
- Extent and Intensity
- 2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
- Teacher(s)
- prof. RNDr. Josef Havel, DrSc. (lecturer)
- Guaranteed by
- prof. RNDr. Josef Havel, DrSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science - Prerequisites
- Basic knowledge of physical chemistry and mathematics.
- Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Analytical Chemistry (programme PřF, D-CH) (2)
- Analytical Chemistry (programme PřF, M-CH)
- Analytical Chemistry (programme PřF, N-CH)
- Inorganic Chemistry (programme PřF, D-CH) (2)
- Inorganic Chemistry (programme PřF, M-CH)
- Biochemistry (programme PřF, D-CH) (2)
- Biochemistry (programme PřF, M-CH)
- Physical Chemistry (programme PřF, D-CH) (2)
- Physical Chemistry (programme PřF, M-CH)
- Macromolecular Chemistry (programme PřF, D-CH) (2)
- Chemistry (programme PřF, M-CH)
- Environmental Chemistry (programme PřF, D-CH) (2)
- Environmental Chemistry (programme PřF, M-CH)
- Macromolecular Chemistry (programme PřF, M-CH)
- Organic Chemistry (programme PřF, D-CH) (2)
- Organic Chemistry (programme PřF, M-CH)
- Course objectives
- At the end of the course students should be able to:
understand and explain importance and problems of chemical equilibria and kinetics studies for chemistry:
understand basic principles of numerical methods used to solve mass balance equations and principles of differential equations integration for solving chemical kinetics:
; to apply information on chemical equilibria in order to formulate database of e.g. equilibrium constants for computation of distribution diagrams by suitable programs:
to use of calculated distribution diagrams to solve problems concerning e.g. complexation of metal ions in aqueous solutions:
propose reasonable and rational proposals for complexation of selected compounds:
On the base of knowledge gained be able to propose experiments to solve unknown systems:
to obtain skills for basic interpretation of chemical equilibria data and data of chemical kinetics and via data analysis to estimate fundamental reactions in studied processes; - Learning outcomes
- At the end of the course students should be able to:
understand and explain importance and problems of chemical equilibria and kinetics studies for chemistry;
Students should understand basic principles of numerical methods used to solve mass balance equations;
The should understand principles of differential equations integration for solving chemical kinetics;
Should be able to apply information on chemical equilibria in order to formulate database of e.g. equilibrium constants for computation of distribution diagrams by suitable programs;
The should be able to use calculate distribution diagrams to solve problems concerning e.g. complexation of metal ions in aqueous solutions;
They should be able to propose reasonable and rational proposals for complexation/masking of selected compounds/contaminants; - Syllabus
- Basic terms: chemical potential,thermodynamic functions, derivation of Guldberg-Waage law, thermodynamic and conditional equilibrium constant,ionic strength effect.
- Mass balance equation; its solution for computation of free concentrations of components, basics of numerical methods to solve system of trascendent equations. Distribution diagrams, programs COGS, Haltafall, Hydra etc. Practical examples. Work with database of protonation and complex equilibria. General regression and optimization programs, idea of program LETAGROP, survey of other advanced programs like SQUAD, Hyperquad etc. Principles of "searching" the chemical model. Application of artificial neural networks. Chemical kinetics - basic terms. Differential equations and their solutions. Substance of programs KILET, SPECFIT and applications for solution of chemical kinetics. Search of kinetic model. Possibility to use artificial neural networks.
- Literature
- required literature
- HAVEL, Josef, Erik HOEGFELDT and Milan MELOUN. Computation of Solution Equilibria: A Guide to Methods in Potentiometry, Extraction, and Spectrophotometry. 1988. ISBN 0-470-20975-5. info
- recommended literature
- KOTRLÝ, Stanislav and Ladislav ŠŮCHA. Chemické rovnováhy v analytické chemii : tabulky a diagramy. Vyd. l. Praha: SNTL - Nakladatelství technické literatury, 1988, 386 s. info
- ŠŮCHA, Ladislav and Stanislav KOTRLÝ. Teoretické základy analytické chemie. Vyd. 1. Praha: SNTL - Nakladatelství technické literatury, 1971, 328 s. URL info
- Teaching methods
- Lectures and illustrated examples of solution on a computer.
- Assessment methods
- Contemporary solution of examples on a computer by students. Final written exam.
- Language of instruction
- Czech
- Further Comments
- The course is taught annually.
The course is taught: every week.
- Enrolment Statistics (Spring 2023, recent)
- Permalink: https://is.muni.cz/course/sci/spring2023/C8820