Course: Statistical Thermodynamics

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Course title Statistical Thermodynamics
Course code KFC/STD
Organizational form of instruction Lecture
Level of course Master
Year of study not specified
Semester Winter
Number of ECTS credits 2
Language of instruction Czech, English
Status of course Compulsory, Compulsory-optional, Optional
Form of instruction Face-to-face
Work placements This is not an internship
Recommended optional programme components None
Course availability The course is available to visiting students
Lecturer(s)
  • Berka Karel, doc. RNDr. Ph.D.
  • Navrátil Jan, Mgr.
  • Jurečka Petr, doc. RNDr. Ph.D.
Course content
First part of the lectures is focused on postulates of the statistical thermodynamics, statistical ensembles, the importance of the partition function, and calculations of thermodynamic variables from partition functions. Second part contains description of matter forms in terms of statistical thermodynamics: ideal and real gas, liquid and ideal crystal. Next, the lectures focus on adsorption processes and chemical applications of the statistical thermodynamics. Finally, the course deals with the current calculations of the thermodynamic quantities based on computer simulations. 1. Introduction, axioms, basic concepts and relations of classical (phenomenological) thermodynamics. 2. Statistical ensembles, fundamental postulates of statistical thermodynamics, microstates, probability of the microstate for microcanonical and canonical ensemble. 3. Identical particles, Maxwell-Boltzmann, Fermi-Dirac, and Bose-Einstein statistics. 4. Partition function and thermodynamic quantities, Boltzmann relation for entropy, fluctuations. 5. Ideal gas, its partition function, contributions from translation, vibrational, rotational and electronic motion. 6. Ideal crystal, Einstein theory, Debye theory, phonons, electron gas. 7. Intermolecular forces, nature of the interactions, pair and many-body potentials. 8. Real gas, configuration partition function, virial equation and calculation of virial coefficients. 9. Liquids, structure, pair distribution function, Van der Waals equation, cell theories, perturbation theory, and theory of integral equations. 10. Adsorption processes, Langmuir isotherm, BET isotherm, gas-surface interactions. 11. Chemical applications of the statistical thermodynamics, chemical kinetics, chemical equilibrium. 12. Computational chemistry and statistical thermodynamics, molecular dynamics method, Monte Carlo method.

Learning activities and teaching methods
Monologic Lecture(Interpretation, Training)
  • Preparation for the Exam - 60 hours per semester
Learning outcomes
This course deals with fundamental statistical thermodynamics and its applications in chemical disciplines.
ability to define main concepts, describe fundamental approaches applied to statistical thermodynamics
Prerequisites
unspecified

Assessment methods and criteria
Oral exam

Student has to pass a test by achieving at least 70% of the total points (problems requiring calculations are included) and he has to be able to discuss given topics.
Recommended literature
  • A. Malijevsky. Lekce ze statistické termodynamiky, 3. vyd.; Vydavatelství VŠCHT: Praha, 2009. ISBN 978-80-7080-710-1 (http://vydavatelstvi.vscht.cz/katalog/uid_isbn-978-80-7080-710-1/).
  • Atkins P., de Paula J. Fyzikální chemie, Vydavatelství VŠCHT: Praha, 2013. ISBN: 978-80-7080-830-6 (http://vydavatelstvi.vscht.cz/katalog/uid_isbn-978-80-7080-830-6/).
  • Boublík, T. . Statistická termodynamika, Academia: Praha, 1996. ISBN 80-200-0566-8.
  • Vřešťál, J., Otyepka, M. Statistická termodynamika, stručný úvod, MU: Brno, 2004. ISBN 80-210-3372-X.


Study plans that include the course
Faculty Study plan (Version) Category of Branch/Specialization Recommended year of study Recommended semester
Faculty: Faculty of Science Study plan (Version): Analytical Chemistry (2021) Category: Chemistry courses - Recommended year of study:-, Recommended semester: Winter
Faculty: Faculty of Science Study plan (Version): Physical Chemistry (2021) Category: Chemistry courses 2 Recommended year of study:2, Recommended semester: Winter
Faculty: Faculty of Science Study plan (Version): Biophysics - Specialization in Molecular Biophysics (2024) Category: Physics courses 3 Recommended year of study:3, Recommended semester: Winter