PřF:C4020 Physical Chemistry II

C4020 Physical Chemistry II

Faculty of Science
Autumn 2026

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Type of Completion: zk (examination).
In-person direct teaching

Teacher(s)

doc. Mgr. Markéta Munzarová, Dr. rer. nat. (lecturer)
prof. Mgr. Dominik Heger, Ph.D. (lecturer)
Mgr. Hugo Semrád, Ph.D. (assistant)

Guaranteed by

prof. Mgr. Dominik Heger, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Tue 11:00–12:50 B11/205

Prerequisites

C4660 Physical Chemistry I
Prior study of basic physical chemistry assumed (e.g. C4660).

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

there are 16 fields of study the course is directly associated with, display

Abstract

The goal of the course C4020 is to instruct students in basic understanding of quantum chemistry, and chemical kinetics.

Learning outcomes

After completing this course, students will be able to:
- do energy level calculations for simple quantum systems
- write down and solve kinetic equations chemical reactions
- employ symmetry for the classification of orbital interactions

Key topics

1. Electrochemistry I. Structure of a galvanic cell. Cell potential and reaction Gibbs energy. Notation for cells. Standard potentials. Standard potentials and equilibrium constants. Nernst equation.

2. Electrochemistry II. Mean activity coefficient. Debye-Hückel limit law. Voltage series of metals. Determination of activity coefficients. Determination of equilibrium constants. Determination of thermodynamic functions. Ion-selective electrodes.

3. Hydrogen atom. Atomic spectra. Planck's relation for energy. Principal quantum number. Atomic orbitals. Electron spin. Electron structure of hydrogen.

4. Many-electron atoms. Orbital energy. Construction principle. Electronic structure and periodic table. Periodicity of atomic properties: atomic radius, ionic radius, ionization energy, electron affinity.

5. Molecular orbitals. Hydrogen molecular ion. Linear combinations of atomic orbitals. Bonding orbitals. Antibonding orbitals. Sigma orbitals. Pi orbitals. Overlap integral. Electronic structure of homonuclear diatomic molecules.

6. Population of levels. Configurations and weights. Boltzmann distribution. Molecular partition function. Interpretation of partition function.

7. MOTION OF MOLECULES IN A GAS (Atkins 20.1.1), DH
Microscopical view on the pressure of the ideal gases. Kinetic model criteria. Root-mean-square speed. Maxwell-Boltzmann distribution. Maxwell´s distribution for various molecules and temperatures. Most probable speed and average speed.
7. TRANSPORT PROPERTIES OF IDEAL GASES, DIFUSSION (Atkins 20.1.4+20.3), DH
Diffusion, flow and concentration gradient. Fick´s laws of diffusion. The diffusion coefficient and mean free path.
8. CHEMICAL KINETICS (Atkins 21+22.3.2), DH
Potential energy surface (Atkins 22.3.2). The principle of microscopic reversibility. Typical reaction mechanisms and solving of rate equations for parallel, opposed, consecutive reactions. Speed equations solving using an approximation of pseudo-first-order and pre-equlibria. Steady-state, kinetic and thermodynamic reaction control.
9. CHEMICAL KINETICS (Atkins 21.1+23.1) (DH)
Solving of specific kinetic problems, Lindemann mechanism of the unimolecular reaction. Homogeneous catalysis: pre-equilibria and steady-state approximation. Michaelis-Menten kinetics.
10. SIMPLE MIXTURES (Atkins 5.3), MM
Phase diagrams for vapour pressure, interpretation, the lever rule. Diagrams temperature- composition, a distillation of a mixture, azeotropes, immiscible liquids. Phase diagrams liquid-liquid, critical points, a distillation of partially miscible liquids. Phase diagrams liquid-solid.
11. IONIC ACTIVITY AND CHEMICAL EQUILIBRIUM (Atkins 5.4.4, 6.2), DH Ionic activity in a solution, mean activity coefficient, Debye–Hückel limiting law. Shifting equilibria: Le Chatelier´s principle. Van´t Hoff equation: equilibria response to temperature change.

Study resources and literature

required literature

Atkins Peter, de Paula Julio: Fyzikální chemie, VŠCHT Praha (1. vydání, 2013) , ISBN: 978-80-7080-830-6.

recommended literature

ATKINS, P. W.; Loretta JONES; Leroy LAVERMAN; James E. PATTERSON and Kelley M. H. YOUNG. Chemical principles : the quest for insight. Eighth edition. Austin: Macmillan Learning, 2023, 1119 stran. ISBN 9781319498498. info
ATKINS, P. W. and Julio DE PAULA. Atkins' physical chemistry. 9th ed. Oxford: Oxford University Press, 2010, xxxii, 972. ISBN 9780199543373. info
HOUSTON, Paul L. Chemical kinetics and reaction dynamics. Mineola, N.Y.: Dover Publications, 2006, xvii, 330. ISBN 0486453340. info

not specified

KLOUDA, Pavel. Fyzikální chemie : studijní text pro SPŠCH. 2., upr. a dopl. vyd. Ostrava: Pavel Klouda, 2002, 139 s. ISBN 8086369064. info
ATKINS, P. W. and Julio DE PAULA. Atkins' physical chemistry. 8th ed. Oxford: Oxford University Press, 2006, xxx, 1064. ISBN 0198700725. info
ATKINS, P. W. and Julio DE PAULA. Atkins' physical chemistry. 7th ed. Oxford: Oxford University Press, 2002, xxi, 1150. ISBN 0198792859. info
ATKINS, P. W. Physical chemistry. 6th ed. Oxford: Oxford University Press, 1998, 1014 s. ISBN 0198501013. info
MOORE, Walter J. Fyzikální chemie. 2. vyd. Praha: Nakladatelství technické literatury, 1981, 974 s. info

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