Physical Chemistry A - B403001
Title: Fyzikální chemie A
Guaranteed by: Department of Physical Chemistry (403)
Faculty: Faculty of Chemical Engineering
Actual: from 2020 to 2023
Semester: both
Points: 6
E-Credits: 6
Examination process:
Hours per week, examination: 3/2, C+Ex [HT]
Capacity: winter:unlimited / unlimited (unknown)
summer:unknown / unknown (unknown)
Min. number of students: unlimited
State of the course: taught
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
Additional information:
Note: you can enroll for the course in winter and in summer semester
Guarantor: Kolafa Jiří prof. RNDr. CSc.
Classification: Chemistry > Physical Chemistry
Interchangeability : N403035
Examination dates   
This subject contains the following additional online materials
Annotation -
Course Physical Chemistry A+B provides a comprehensive overview of physical chemistry as a discipline used to understand the principles and calculations in chemistry and chemical engineering. The course begins with chemical thermodynamics and is based on a molecular point of view rather than on a classical continuous approach; therefore, the necessary basics of statistical thermodynamics are discussed in parallel. Part A (fall term) ends with phase equilibria. Part B (spring term) is devoted to chemical equilibrium, chemical kinetics, electrochemistry, and physical chemistry of surfaces. Other traditional fields of physical chemistry – quantum theory and spectroscopy – are not covered by the course.
Last update: Kolafa Jiří (03.07.2020)
Aim of the course -

Students will:

1. Understand fundamentals of chemical thermodynamics including basics of statistical thermodynamics,

2. Be able to apply methods of physical chemistry in a variety of fields of chemistry and chemical engineering;

3. Be able to formulate the problem, look for the necessary data in the literature, and communicate with experts more difficult tasks.

Last update: Kolafa Jiří (03.07.2020)
Literature -

R: Atkins P.W., de Paula J., Physical Chemistry, Oxford University Press, 2010, 9780199543373

Last update: Kubová Petra (04.12.2017)
Learning resources -

Last update: Kolafa Jiří (03.07.2020)
Syllabus -

1. Repetition: good practice of using and converting units, different expressions of concentrations. Basic concepts of physical chemistry (system, state, phase, quantity, action, equilibrium, stationary process). Zeroth Law of Thermodynamics, empirical temperature. Equation of state in general; bonus: history. Ideal gas, derivation of the equation of state from the kinetic theory of gases, equipartition principle and interpretation of temperature. A mixture of ideal gases, partial pressure.

2. Real fluid, critical point, description (isotherms, isobars, isochores, coefficients of expansion and compressibility). Bonus: Theorem of corresponding states, universality of a critical point.

3. Intermolecular forces, origin of the van der Waals equation, cubic equations of state. Compressibility factor, virial expansion. Equations of state for mixtures of real gases, mixing and combining rules.

4. First Law of Thermodynamics: internal energy (caloric equation of state), history. Internal energy of ideal gas from kinetic theory. Heat, work and their calculation, heat capacities, reversible adiabatic process.

5. Enthalpy, heat of reaction, standard reaction, internal energies and enthalpies of formation and combustion. Hess' law and enthalpy balance, dependence of reaction enthalpy on temperature, thermochemical calculations, calorimetric equation.

6. Mathematics: functions of several variables, gradient, potential. The Second Law of Thermodynamics: heat engines, introduction of entropy and absolute thermodynamic temperature using the Carnot cycle. Helmholtz and Gibbs energy, their meaning, properties, and calculation. Maxwell's relations. Change of state functions with temperature, pressure, and volume for ideal and real systems.

7. Combined first and second law expression. Boltzmann probability (motivated by barometric equation), statistical-thermodynamic interpretation of the combined expressions, Boltzmann's equation for entropy. Mixing entropy. The Third Law of Thermodynamics, the meaning of absolute entropy. Bonus: residual entropy of crystals, information entropy.

8. Thermodynamics of irreversible processes. Bonus: H‑theorem, Landauer's principle. Extensive equilibrium conditions. Bonus: liquefaction of gases, Joule-Thompson effect.

9. Thermodynamics of mixtures, partial molar quantities. Gibbs–Duhem equation. Chemical potential, concept of standard state, activity, fugacity. Intense conditions of equilibrium.

10. Gibbs phase law. Phase diagram of pure substance, allotropy and polymorphism. Clapeyron and Clausius–Clapeyron equations, Antoine equation. Experimental determination of saturated vapor pressure.

11. Equilibria in multicomponent systems, phase diagrams and their interpretation. Liquid-vapor equilibrium, Raoult's law, non-ideal liquid mixture, azeotrope and heteroazeotrope. Steam distillation.

12. Solubility of gases in liquids, Henry's law and its various expressions. Bonus: temperature dependence of Henry's constant. Liquid-solid equilibrium, thermodynamic description, eutectic and peritectic systems, interpretation of more complex diagrams. Cooling curves. Colligative properties: cryoscopy, ebulioscopy.

13. Ternary systems, ternary diagrams, tie-lines, critical points. Nernst distribution law. Lever rule.

14. Regular solution model, Flory–Huggins model. Criteria of stability, metastability, and instability. Spinodal decomposition. Bonus: Legendre transform (graphically).

Last update: Kolafa Jiří (03.07.2020)
Registration requirements -

Mathematics A, Mathematics B

Last update: Kubová Petra (04.12.2017)
Course completion requirements -

Credit C (calculations) at least 50%

Homework H at least 75%

Written test at least 40, oral max +20, total T min 50

Grade = 0.4×(C+H−50+T): F below 50, A for 90 or more; not better than D for test<50

Last update: Kolafa Jiří (03.07.2020)
Teaching methods
Activity Credits Hours
Konzultace s vyučujícími 0.5 14
Účast na přednáškách 1.5 42
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 1.5 42
Příprava na zkoušku a její absolvování 1.5 42
Účast na seminářích 1 28
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