Advanced Chemical Termodynamics (15PCHT)

Course guarantor:

Viliam Múčka

Lecturer:

Tutor:

Supervisor:

Department of Nuclear Chemistry

Synopsis:

The course begins with the mathematical formulation of the second theorem of thermodynamics and the introduction of entropy. This is followed by a discussion of the thermodynamic temperature scale, the introduction of thermodynamic potentials and the dependence of thermodynamic potentials and entropy on state variables. Subsequently, fugacity and chemical potential are introduced. The following is a discussion of the third law of thermodynamics and their consequences, including the properties of substances near temperatures approaching absolute zero. Then follow the chapters discussing the conditions of thermodynamic, phase and chemical equilibrium. An intensive phase equilibrium criterion is derived exactly using chemical potentials. Next, the properties of ideal and real solutions are discussed. Chemical equilibrium is defined by means of thermodynamic activities and its specific cases and the method of determining the degree of conversion of a reaction are discussed. The advanced chemical thermodynamics course concludes with a discussion of the elementary foundations of non-equilibrium thermodynamics, including the introduction of the concept of the rate of entropy generation.

Requirements:

The requirements for acquiring the assessment are as follows: active participation on the exercises (up to 2 hours of properly justified absences are tolerable) along with calculation of problems at the white-/blackboard; passing the assessment test (3 problems in total).

The oral exam covers topics taught during the course.

Syllabus of lectures:

1. Mathematical formulation of the second theorem of thermodynamics, thermodynamic temperature scale.

2. Entropy and its properties.

3. Thermodynamic potentials.

4. Chemical potential.

5. The third theorem of thermodynamics, zero absolute temperature.

6. Thermodynamic equilibrium.

7. Ideal and real solutions.

8. Phase equilibria, phase diagrams.

9. Chemical equilibrium, equilibrium constant, degree of reaction conversion.

10. Fundamentals of thermodynamics of non-equilibrium processes.

Syllabus of tutorials:

The exercises will involve solving problems corresponding to the topics covered by the lecture. Namely:

1. Determination of entropy changes during equilibrium or non-equilibrium processes.

2. Calculation of changes in state functions U, H, F, G, f.

3. Application of thermodynamic quilibrium for phase transformations.

4. Calculation of chemical equilibrium involving gases.

Study Objective:

To acquaint students with the phenomenological description of entropy and the related concepts of thermodynamic equilibria.

Study materials:

Key Literature:

1.P. Atkins, J. de Paula: Physical Chemistry, 7th Ed., Oxford University press, Oxford, New York, 2002

2.I. N. Levine: Physical Chemistry, 6th Ed., McGraw-Hill Boock Company, Inc, New York, 2009.

3.H. De Voe: Thermodynamics and chemistry, 2nd Ed., ver. 8, University of Maryland, USA, 2016, http://www2.chem.umd.edu/thermobook/ (4. 1. 2024 accessible)

Recommended Literature:

4.W. J. Moore: Physical Chemistry, 5th Ed., Prentice-Hall, 1998

5.S. Zumdahl: Chemical Principles, 5th Ed., Houghton Mifflin Company, Boston, NewYork, 2005

6.R. Chang: Chemistry, 9th Ed., McGraw-Hill, New York, 2007

Note:

Further information:

No time-table has been prepared for this course

The course is a part of the following study plans: