| Course Unit Code | 619-2001/01 |
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| Number of ECTS Credits Allocated | 8 ECTS credits |
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| Type of Course Unit * | |
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| Level of Course Unit * | First Cycle |
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| Year of Study * | |
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| Semester when the Course Unit is delivered | Semester |
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| Mode of Delivery | Face-to-face |
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| Language of Instruction | Czech |
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| Prerequisites and Co-Requisites | Course succeeds to compulsory courses of previous semester |
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| Name of Lecturer(s) | Personal ID | Name |
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| DOB30 | prof. Ing. Jana Dobrovská, CSc. |
| FRA37 | Ing. Hana Francová, Ph.D. |
| SME06 | prof. Ing. Bedřich Smetana, Ph.D. |
| DOC01 | Ing. Simona Zlá, Ph.D. |
| Summary |
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| The topic of the subject is Chemical Thermodynamics (thermodynamical description of the systems and processes, chemical and phase equilibria) and Chemical Kinetics (rate analysis of homogeneous and heterogeneous reactions). |
| Learning Outcomes of the Course Unit |
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- to utilize the fundamental thermodynamic quantities (enthalpy, entropy, Gibbs energy) for the system behaviour describing;
- to describe the chemical equilibrium, to illustrate the influence of temperature and pressure;
- to describe the phase equilibrium, the Gibbs phase rule, phase equilibrium of pure substances;
- to define and to utilize basic terms of chemical kinetics - rate of chemical reaction, rate law and rate constants, reaction order. To illustrate the temperature dependence of reaction rates;
- to describe basic processes of heterogeneous reactions – diffusion, adsorption
- to determine the rate-limiting step for heterogeneous processes
- to apply obtained theoretical knowledge in tutorials and laboratory and on selected processes of chemical practice.
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| Course Contents |
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Lectures:
1. Introduction. Gases. Ideal gases, fundamental laws. Real gases, compressibility factor, virial coefficients, critical state, Van der Waals equation of state, theorem of corresponding states.
2. The chemical thermodynamics. Basic terms, thermodynamic system, thermodynamic properties, thermodynamic process, thermodynamic state functions. Heat capacities of substances, variation of heat capacities with temperature, difference in the molar heat capacities between the products and reactants. The First law of thermodynamics, definition, signification. The work done by ideal gas. The heat at constant pressure and volume. The fundamental thermodynamic function – enthalpy. The thermodynamic definition of molar heat capacities.
3. The heating and cooling of substances. The heat of reaction. Laws of thermochemistry, theoretical calculation of reaction heat. Kirchhoff’s law - variation of the reaction enthalpy with temperature. The adiabatic reaction temperature.
4. The Second law of thermodynamics – definition and signification. The heat engine, Carnot heat engine. The fundamental thermodynamic function – entropy (temperature and volume dependence for homogeneous system, temperature and pressure dependence for a homogeneous system). The statistical interpretation of entropy.
5. Thermodynamic potentials – Helmholtz and Gibbs free energy. Conditions of thermodynamic equilibrium. Combined formulations of the first and second laws of thermodynamics, Maxwell relations. The Gibbs and Helmholtz free energy – temperature dependence, Gibbs-Helmholtz equations, significance and application.
6. Partial molar quantities – definition, properties. The Gibbs-Duhem equation. The chemical potential and its significance. Chemical equilibrium. Conditions for chemical equilibrium. The van´t Hoff reaction isotherm, thermodynamic equilibrium constant. Types of equilibrium constant for homogeneous and heterogeneous chemical reactions.
7. The calculation of equilibrium composition and degree of conversion. The effect of temperature on chemical equilibrium, van't Hoff reaction isochore and isobar. The effect of pressure on chemical equilibrium. The Le Chatelier’s principle.
8. The phase equilibrium. The Gibbs phase rule, phase, component, degree of freedom. The phase diagram of a one-component system, triple point and critical point. Phase equilibrium of pure substances, Clapeyron and Clausius Clapeyron equation.
9. Two-component (binary) system. The third law of thermodynamics. Nernst's theorem, Planck's postulate.
10. The chemical kinetics, significance. Homogeneous simple reactions. Basic terms, rate of chemical reaction, order of reaction, molecularity, rate constant, reaction mechanism. First-order reactions, reaction half-life, second-order reactions, nth-order reactions.
11. The mechanism of simultaneous chemical reactions, reversible, parallel and consecutive reactions, mathematic analysis.
12. The temperature dependence of the rate of a chemical reaction, Arrhenius equation. The theory of chemical kinetics - collision theory and theory of absolute reaction rates. The effect of pressure on reactions rate.
13. Kinetics of heterogeneous chemical reactions, elementary steps in heterogenous reactions. The molecular diffusion, Fick’s laws of diffusion, consecutive and parallel diffusion, principles of analysis. The convection diffusion.
14. The adsorption, physical adsorption and chemisorption. Adsorption from gases on solids. Adsorption isotherms, Freundlich's and Langmuir´s isotherms, BET model of adsorption isotherm.
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| Recommended or Required Reading |
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| Required Reading: |
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DOBROVSKA, J. Physical Chemistry (The Basics of Chemical Thermodynamics and Chemical Kinetics), VSB-Technical University of Ostrava, 2020.
ATKINS, P. W. a Julio DE PAULA. The elements of physical chemistry. 5th ed. Oxford: Oxford University Press, 2009. ISBN 978-0-19-922672-6. |
Studijní opora: DOBROVSKÁ, Jana. Fyzikální chemie (základy chemické termodynamiky a kinetiky), VŠB-TUO, 2019, dostupné z https://www.vsb.cz/e-vyuka/
Studijní opora: PEŘINOVÁ, Kristina, Bedřich SMETANA, Simona ZLÁ a Gabriela KOSTIUKOVÁ. Teoretické základy fyzikální chemie v příkladech [online] 2008. Dostupné z: dostupné z https://www.vsb.cz/e-vyuka/
NOVÁK, Josef. Fyzikální chemie: bakalářský kurz. Praha: Vysoká škola chemicko-technologická [Praha], 2006. ISBN 80-7080-559-5.
ATKINS, P. W. a Julio DE PAULA. The elements of physical chemistry. 5th ed. Oxford: Oxford University Press, 2009. ISBN 978-0-19-922672-6.
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| Recommended Reading: |
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| ATKINS, P. W. a Julio DE PAULA. Atkins' Physical chemistry. 10th ed. Oxford: Oxford University Press, c2014. ISBN 978-0-19-969740-3. |
MOORE, Walter J. Fyzikální chemie. Praha: SNTL - Nakladatelství technické literatury, 1981.
KELLÖ, Vojtech a Alexander TKÁČ. Fyzikálna chémia. 3. upr. vyd. Bratislava: Alfa, 1977.
FISCHER, Oldřich. Fyzikální chemie: (termodynamika, elektrochemie, kinetika, koloidní soustavy). Praha: Státní pedagogické nakladatelství, 1984.
ADAMCOVÁ, Zdenka. Příklady a úlohy z fyzikální chemie. Praha: SNTL - Nakladatelství technické literatury, 1989. ISBN 80-03-00104-8.
NOVÁK, Josef. Fyzikální chemie: bakalářský a magisterský kurz. (První a druhý svazek). Praha: Vydavatelství VŠCHT, 2008. ISBN 978-80-7080-675-3. Dostupné též z: https://vydavatelstvi.vscht.cz/katalog/publikace?uid=uid_isbn978-80-7080-675-3
ATKINS, P. W. a Julio DE PAULA. Atkins' Physical chemistry. 10th ed. Oxford: Oxford University Press, c2014. ISBN 978-0-19-969740-3. |
| Planned learning activities and teaching methods |
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| Lectures, Individual consultations, Tutorials, Experimental work in labs |
| Assesment methods and criteria |
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| Tasks are not Defined |