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ECTS Course Overview



Physical Chemistry

* Exchange students do not have to consider this information when selecting suitable courses for an exchange stay.

Course Unit Code619-2001/02
Number of ECTS Credits Allocated8 ECTS credits
Type of Course Unit *Compulsory
Level of Course Unit *First Cycle
Year of Study *
Semester when the Course Unit is deliveredWinter Semester
Mode of DeliveryFace-to-face
Language of InstructionCzech, English
Prerequisites and Co-Requisites Course succeeds to compulsory courses of previous semester
Name of Lecturer(s)Personal IDName
DOB30prof. Ing. Jana Dobrovská, CSc.
Summary
The topic of the subject is chemical thermodynamics (thermodynamic description of the systems and processes, description of the chemical and phase equilibria) and chemical kinetics (kinetic analysis of homogeneous and heterogeneous reactions)
Learning Outcomes of the Course Unit
- to utilize the fundamental thermodynamic quantities (enthalpy, entropy,
Gibbs energy) for the system behaviour describing
- to describe the chemical equilibrium – to monitor the dependence of the
equilibrium constant on state variables (dependence on temperature,
dependence on pressure)
- to describe the phase equilibrium, Gibbs phase rule, phase equilibrium of
pure substances
- to define and to utilize basic terms of chemical kinetics - homogeneous
and heterogeneous reaction, rate of chemical reaction, kinetic equation,
order of reaction, rate constant to monitor the dependence of the
reaction rate on temperature and on pressure
- to describe basic processes of heterogeneous reactions – diffusion,
adsorption
- to determine the rate-limiting process for heterogeneous processes
- to apply obtained theoretical knowledge in tutorials and laboratory and
on selected processes of chemical practice.
Course Contents
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.
Recommended or Required Reading
Required Reading:
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 - 1.část [online] 2008. Dostupné z: https://www.fmt.vsb.cz/cs/student/studijni-opory/619/

Studijní opora: DOBROVSKÁ, Jana. Fyzikální chemie - 2.část [online] 2017. Dostupné z: https://www.fmt.vsb.cz/cs/student/studijni-opory/619/

Studijní opora: PEŘINOVÁ, Kristina, Bedřich SMETANA, Simona ZLÁ a Gabriela KOSTIUKOVÁ. Teoretické základy fyzikální chemie v příkladech [online] 2008. Dostupné z: https://www.fmt.vsb.cz/cs/student/studijni-opory/619/

NOVÁK, Josef. Fyzikální chemie: bakalářský kurz. Praha: Vysoká škola chemicko-technologická [Praha], 2006. ISBN 80-7080-559-5. Dostupné též z:
https://vydavatelstvi.vscht.cz/katalog/publikace?uid=uid_isbn-978-80-7080-559-6

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.
Recommended Reading:
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
Lectures, Individual consultations, Tutorials, Experimental work in labs, Other activities
Assesment methods and criteria
Tasks are not Defined