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Physical Chemistry

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Course Unit Code619-2001/03
Number of ECTS Credits Allocated8 ECTS credits
Type of Course Unit *Compulsory
Level of Course Unit *First Cycle
Year of Study *Second Year
Semester when the Course Unit is deliveredWinter Semester
Mode of DeliveryFace-to-face
Language of InstructionCzech
Prerequisites and Co-Requisites Course succeeds to compulsory courses of previous semester
Name of Lecturer(s)Personal IDName
DOB30prof. Ing. Jana Dobrovská, CSc.
SME06prof. Ing. Bedřich Smetana, Ph.D.
Summary
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
- 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.
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:
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.
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
Assesment methods and criteria
Task TitleTask TypeMaximum Number of Points
(Act. for Subtasks)
Minimum Number of Points for Task Passing
Credit and ExaminationCredit and Examination100 (100)51
        CreditCredit45 (45)20
                PísemkaWritten test26 8
                Laboratorní práceLaboratory work16 0
                Jiný typ úlohyOther task type3 0
        ExaminationExamination55 (55)15
                Písemná zkouškaWritten examination15 5
                Ústní zkouškaOral examination40 10