Download Eötvös Loránd Science University Faculty of Sciences Department of

Eötvös Loránd Science University
Faculty of Sciences
Department of Chemistry
Core (required)
COURSE OUTLINES
and Prerequisites
2013
Course Title:
Physical Chemistry (1): Thermodynamics & Statistical Thermodynamics
1.
Course Code
Semester
Grading
kv1c1fz1
2.
oral exam
Credits /
Weekly
Hours
4/4
Language
Major
English
Chemistry
BSc
2. Course Type: lecture & seminar
3. Course Instructor / Department:
Prof. Ernő Keszei / Department of Physical Chemistry
4. Course Instructors:
Name:
Title:
Department, Institution:
Keszei Ernő
professor
Department of Physical
Chemistry; Institute of Chem.
5. Course Requirements:
Knowledge of the mandatory courses of Mathematics, General Chemistry and Physics
6. Course Prerequisites:
6.1. Prerequisites
mv1c1mt1, Introductory Mathematics for Chemists (1)
or mv1c1mt1e, lecture: Mathematics 1.
kv1c1al1, lecture: General Chemistry
6.2. Recommended
mv1c1mt2, Introductory Mathematics for Chemists (2)
or mv1c1mt2e, lecture: Mathematics 2. attended in the same semester
and fv1c1fia lecture: Physics (1)
7. Course Objectives:
The student understands the placement and the role of thermodynamics within the discipline of physical chemistry. S/he acquires knowledge at a level of application of the postulates of thermodynamics and becomes capable of using the postulates to solve general
thermodynamic problems within a wide range of circumstances. S/he will learn the applicability of thermodynamics for chemically important phenomena and systems and will
be able to interpret the physical properties and the behaviour thereof, along with the mathematical models describing them, in order to solve practical problems. Based on her/his
acquired knowledge of statistical thermodynamics, s/he will be able to calculate relevant
thermodynamic properties from molecular data, as e. g. the chemical equilibrium constant.
8. Course Outline:
Topics Covered:
Historical evolution of thermodynamics within the context of 19th century science. Basic
quantities and notions of thermodynamics. The nature of thermodynamic systems. Describing equilibria within a variety of constraints. Thermodynamic potential functions and their
interrelations. Fundamental equations and their differential forms. Equations of state.
Measurability of thermodynamic functions. Heat engines, refrigerators and heat pumps.
Criteria of equilibrium using intensive and extensive parameters. Thermodynamic description of multicomponent systems; the chemical potential as a function of different composition variables. Phase equilibria in single- and multicomponent systems. Phase diagrams of
different types; their information content. Colligative properties. Homogeneous and heterogeneous chemical equilibria in reacting mixtures. Elements of thermodynamics of surfaces. Thermodynamic description of systems containing electrically charged particles.
Charge transport and its consequences in homogeneous systems and electrochemical cells.
Electrodes and their properties. Statistical thermodynamics; description of microcanonical
and canonical ensembles. Calculating thermodynamic potential functions from the canonical partition function. Elementary treatment of linear transport equations. Diffusion; Fick’s
first and second law. The solution of the diffusion equation.
8.1. Course Outline (Weekly)
This course consists of three hours lecture and one hour seminar per week. Lectures concentrate on the explanation of the material described in the textbook. The webpage of the
course contains the actual material discussed and to read for each week. Students solve
problems on seminars with the aim that they could deal with real-life problems emerging in
the context of what has been learnt during the lectures. They regularly get assignments at
each seminar which is then evaluated. There are also midterm exams and a microproject to
solve during the semester. The report of the microproject is supposed to be written in a
journal publication style.
(Week 1 serves to subscribe to or drop courses);
(Week 2): Lecture 1
What is physical chemistry, and what part of it is chemical thermodynamics. Historical
overview of thermodynamics along with its different conceptual approaches. The subject
of thermodynamics. Molecular vs. macroscopic description of material bodies. Properties
of equilibrium systems. Simple systems. Postulate 1 of thermodynamics;
Lecture 2
Postulates 2, 3 and 4 of thermodynamics; their application to actual problems. The entropy
function and its properties. Entropy- and energy-based fundamental equations. Relation of
the equations of state to the fundamental equation. The fundamental equations of an ideal
gas and an ideal van der Waals fluid;
Lecture 3
Description of thermal, mechanical and chemical equilibria within different conditions.
Properties of the entropy- and energy-like potential functions. Additional types of fundamental equations;
Lecture 4
Calculation of thermodynamic potential functions from measurable data. Calculation of
thermodynamic properties and equilibria using fundamental equations. Calculating heat
and work making use of reversible and quasi-static processes. Heat engines, heat pumps
and refrigerators;
Lecture 5
Thermodynamic description of ideal mixtures. Absolute and relative activities. Physically
sound and virtual reference states relating to different relative activities. Properties of mixing.
Lecture 6
Thermodynamic description of real mixtures. Phase equilibria of pure substances. Stability
range of single-component phases. Pressure and temperature dependence of the chemical
potential of pure phases. The Clapeyron- and the Clausius-Clapeyron equations.
Lecture 7
Liquid-vapour equilibria in ideal and real binary mixtures. Types of solid-liquid binary
phase diagrams. Colligative properties. Phase diagrams of multicomponent systems. Use of
different phase diagrams for the separation of components.
Lecture 8
Equilibrium of chemical reactions. Relation of the equilibrium constant to thermodynamic
data. The Le Châtelier-Braun principle. Dependence of the equilibrium constant on pressure and temperature.
Laws of classical thermodynamics. Deriving internal energy and entropy from the Jouleexperiments and practical experience with heat engines.
Lecture 9
Extension of thermodynamics for additional interactions, i. e. for non-simple systems;
thermodynamic description of electric, magnetic and surface effects, etc. Thermodynamics
of curved surfaces. Thermodynamic description of systems containing electrically charged
particles. Charge transport and its consequences in homogeneous systems and electrochemical cells;
Lecture 10
Thermodynamic description of transport phenomena; the linear transport equations. Conduction of heat and electricity. Viscous flow. The diffusion equations: Fick’s first and second laws;
Lecture 11
Statistical approach to thermodynamics. Properties and characterisation of the microcanonical and the canonical ensembles. Construction of the fundamental equations of an Einstein
solid and a system consisting of two-state molecules in microcanonical and canonical formalism;
Lecture 12
Calculation of translational, rotational, vibrational and electronic contributions to the canonical partition function. Statistical calculation of the fundamental equation of an ideal
gas. Characterisation of the canonical energy function.
Lecture 13
Equipartiton principle. General properties of the statistical expression of the entropy function. Calculation of the chemical equilibrium constant on a canonical ensemble;
Lecture 14
Overview of the last three lectures. Preparation for the last midterm exam. Recalling the
requirements for a valid final grade and the topics of the oral examination.
9. Remarks:
10. Requirements:
10.1. Course Work:
Only students registered in the Neptun system can attend the lectures.
Prerequisites for completion of course/laboratory during the semester (in addition to
those listed in „ELTE Organizational and Operational Regulations”) include:
Attendance of the lectures is not compulsory, but the knowledge of the material
discussed is necessary to follow the seminars. Attendance of the seminars is compulsory (a record of attendance is kept). Assignments are given and they are corrected and evaluated on a regular basis. There are 3 to 4 midterm exams and a takehome exam during the semester. To have the right of an examination for the final
grade, there is a minimum prescribed for assignment and midterm-exam scores.
Above a certain level of scores, students get an offered final grade based on the
marks received for the midterm exams.
10.2. Exam Period
If the student does not get or accept an offered final grade, an oral exam is obligatory. If the scores accumulated during the semester for the assignments and the exams are not exceeding 50 per cent of the maximum, the student has to pass a written pre-exam whose successful completion is the condition to be examined orally.
11. Make Up Policy
There is a possibility to write an optional midterm exam at the end of the semester whose result replaces the least favourable (or missing) mark of a previous exam.
12. Office Hours/Consultation:
It is possible to have consultative sessions both with the professor giving the lecture and the
person leading the seminars, if needed.
13. Lecture Notes, Textbook, Resources, Recommended Reading:
E. Keszei: Thermodynamics – an Introduction, Springer, 2012
H.B. Callen: Thermodynamics and an Introduction to Thermostatistics, 2nd edition, Wiley, 1985
P.W. Atkins, J. de Paula: Physical Chemistry, 9th edition, Oxford Universty Press, 2009
14. Learning Strategy:
Knowledge of the material discussed at the lectures and the seminars is necessary. Solving
assignments and writing midterm exams and the take-home exam is the genuine way to have
proficiency in the subject. In case the student does not get or accept an offered final grade, an
oral exam is mandatory.
15. Syllabus Written by (Name, Title, Department/Institution)
Keszei, Ernő, professor of chemistry, Department of Physical Chemistry
16. Enforcement Date: September 1, 2014