PřF:C4020 Advanced Physical Chemistry - Course Information
C4020 Advanced Physical Chemistry
Faculty of ScienceSpring 2010
- Extent and Intensity
- 2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
- Teacher(s)
- doc. RNDr. Pavel Kubáček, CSc. (lecturer)
- Guaranteed by
- doc. RNDr. Pavel Kubáček, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science - Timetable
- Mon 18:00–19:50 A,01026
- Prerequisites
- C4660 Basic Physical Chemistry
Prior study of basic physical chemistry assumed (e.g. C4660), some knowledge of calculus (M1010 Mathematics I and M2010 Mathematics II or similar) and physics is useful, but not a prerequisite. - 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 17 fields of study the course is directly associated with, display
- Course objectives
- After completing this course students will understand fundamental concepts of theoretical chemistry to real chemical systems with an emphasis on the relationships between the microscopic structure and macroscopic properties of matter. Students will develop quantitative skills for interpreting the behavior of matter by physical theories. Topics will include quantum theory, chemical statistics, thermodynamics, electrochemistry, and kinetics. Course C4660 must be passed before admission to the module is granted.
- Syllabus
- (1) Variation method, simple (HMO) and extended (EHT) Hückel methods, Z-matrix, Mulliken population analysis. Self-consistent field method. Density functional.
- (2) Electronic, vibrational, rotational and translational states of molecule. Linear harmonic oscillator, zero point energy, vibration of dinuclear molecule, rigid rotor.
- (3) Canonical ensemble and canonical partition function, statistical thermodynamic formulation of internal energy, entropy and Gibbs function, equilibrium constant.
- (4) Real gasses, state equation of state, fugacity, fugacity coefficient and its pressure dependence, critical state, principle of corresponding states.
- (5) Thermodynamic dependencies, temperature dependence of internal energy and enthalpy, adiabatic expansion. Mixtures, mixing, partial molar quantities, Gibbs-Duhem equation.
- (6) Colligative properties, elevation of boiling point and depression of freezing point, osmosis. Phase equilibrium in two-component systems, azeotropes, reacting systems.
- (7) Ion activities, Debye-Hückel theory, ionic atmosphere. Thermodynamics of electrochemical cells. Temperature dependence of electromotive force.
- (8) Kinetic theory ideal gas, Maxwell-Boltzmann distribution of velocities, distribution of energy, intermolecular collisions, collision crossection, collision frequency, mean free path.
- (9) Transport properties, flux of molecular quantity, statistical view of diffusion (random walk), transport of ions, conductivity, Debye-Hückel-Onsager theory, mobilities of ions.
- (10) Kinetics of reactions with complex mechanism, stationary state approximation, monomolecular reactions, catalysis and autocatalysis, chemical oscillations.
- (11) Temperature dependence of reaction rate. Transition state theory, collision theory, PES and reaction coordinate, activated complex and transition state, Eyring equation.
- (12) Models of electrode double layer, exchange current density, Butler-Vollmer equation, overpotential and polarization, corrosion. Electric double layer.
- Literature
- recommended literature
- 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. Physical chemistry. 6th ed. Oxford: Oxford University Press, 1998, 1014 s. ISBN 0198501013. info
- not specified
- ATKINS, P. W. and Julio DE PAULA. Atkins' physical chemistry. 7th ed. Oxford: Oxford University Press, 2002, xxi, 1150. ISBN 0198792859. info
- MOORE, Walter J. Fyzikální chemie. 2. vyd. Praha: Nakladatelství technické literatury, 1981, 974 s. info
- Comprehensive dictionary of physical chemistry. Edited by Ladislav Ulický - Terence James Kemp. 1st pub. New York: Ellis Horwood, 1992, 472 s. ISBN 0-13-151747-3. info
- Bookmarks
- https://is.muni.cz/ln/tag/PříF:C4020!
- Teaching methods
- Twelve non-obligatory lectures with twelve running optional home works (e-tests).
- Assessment methods
- Final written examination (multiple choice e-test; 30 questions) lasts 100 minutes. Maximum of points will be 50 (A: 50-44; B: 43-39; C: 38-34; D: 33-29; E: 28-24; F: 23-0 bodů; P: 50-19; N: 18-0 points).
- Language of instruction
- Czech
- Follow-Up Courses
- Further comments (probably available only in Czech)
- The course is taught annually.
General note: předmět předpokládá znalosti fyzikální chemie v rozsahu C4660. - Listed among pre-requisites of other courses
- C3420 Physical Chemistry
C1020 && (!C4660) && (!C4020) && !NOWANY(C4660,C4020) - C4040 Physical Chemistry II - seminar
NOW(C4020) - C5020 Chemical Structure
C4660&&C4020 - C7410 Structure and Reactivity
((C1020&&C2021&&(C3022||C3050)&&(C4660||C3140||C3401)&&(C4020||C4402))&&NOW(C7415))||souhlas - C8780 Photochemistry: From Concepts to Practice
C1020&&C2021&&C3050&&C4660&&C4020
- C3420 Physical Chemistry
- Enrolment Statistics (Spring 2010, recent)
- Permalink: https://is.muni.cz/course/sci/spring2010/C4020