C4020 Advanced Physical Chemistry

Faculty of Science
Spring 2008
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
Tue 11:00–12:50 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
In the second module of physical chemistry fundamental concepts of theoretical chemistry are further developed with an emphasis on the relationships between the microscopic structure and macroscopic properties of matter. 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
  • 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. and Julio DE PAULA. Atkins' physical chemistry. 7th ed. Oxford: Oxford University Press, 2002, xxi, 1150. ISBN 0198792859. info
  • ATKINS, P. W. Physical chemistry. 6th ed. Oxford: Oxford University Press, 1998, 1014 s. ISBN 0198501013. info
  • ATKINS, P. W. Physical chemistry. 5th ed. Oxford: Oxford University Press, 1994, 1031 s. ISBN 0192690426. info
  • MOORE, Walter J. Fyzikální chemie. 2. vyd. Praha: Nakladatelství technické literatury, 1981, 974 s. info
  • DVOŘÁK, Jiří and Jiří KORYTA. Elektrochemie. 3., dopl. a rozš. vyd. Praha: Academia, 1983, 410 s. URL 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!
Assessment methods (in Czech)
Předmět je vyučován formou přednášky doplněné možností průběžného procvičování látky e-testy v IS.
Ukončení předmětu (písemnou zkouškou i kolokviem) má formu e-testu (100 min.)
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
The course is also listed under the following terms Spring 2008 - for the purpose of the accreditation, Spring 2011 - only for the accreditation, Spring 2000, Autumn 2010 - only for the accreditation, Spring 2001, Spring 2002, Spring 2003, Spring 2004, Spring 2005, Spring 2006, Spring 2007, Spring 2009, Spring 2010, Autumn 2010, Spring 2011, Autumn 2011, Autumn 2011 - acreditation, Autumn 2012, Autumn 2013, Autumn 2014, Autumn 2015, Autumn 2016, autumn 2017, Autumn 2018, Autumn 2019, Autumn 2020, autumn 2021, Autumn 2022, Autumn 2023, Autumn 2024.
  • Enrolment Statistics (Spring 2008, recent)
  • Permalink: https://is.muni.cz/course/sci/spring2008/C4020