C4660 Basic 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
Wed 16:00–17:50 A,01026
Prerequisites
none
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
Course objectives
The course introduces fundamental concepts of theoretical chemistry to real chemical systems 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.
Syllabus
  • (1) Quantum chemistry. Quantum theory, observables and operators, Schrödinger equation, eigenfunctions and eigenvalues, orbitals, electron structure of atoms and molecules, electron repulsion, spin. (2) Molecular structure. Nuclear and electron structure of molecules, PES, molecular symmetry, molecular vibrations, rotations, translations, electron density, intermolecular forces. (3) Statistical thermodynamics. Population, configuration, weight, Boltzmanns statistics, partition function. (4) Interaction of molecules and photons. Spectroscopy, selection rules, rotational, vibrational and electronic spectra, fluorescence and phosphorescence, magnetic resonance, X-ray diffraction. (5) Equilibrium thermodynamics. Thermodynamic system and its description, thermodynamic processes, zeroth and first law, heat and work, state functions, enthalpy, heat capacity, thermochemistry, reaction and formation enthalpy, standard state. (6) Thermodynamic criterion for spontaneity. Entropy, second low, Clausius inequality, Gibbs and Helmholtz function, maximum work, third law, absolute entropy. (7) Ideal and real systems. Combined first and second laws, temperature and pressure dependence of Gibbs function, chemical potential, fugacity, activity, solutions, change of composition. (8) Phase equilibrium. Condition of phase equilibrium, Gibbs phase rule, phase diagrams for one and more components. (9) Chemical equilibrium. Reaction and standard reaction Gibbs function, reaction quotient, equilibrium constant and its temperature dependence. (10) Electrochemistry. Ions, interaction between ions, ionic strength, electrodes and their potentials, electrochemical cells. (11) Chemical dynamics. Transport, diffusion, kinetics of simple reactions, mechanism, activated complex theory, reaction coordinate, activation energy. (12) Dispersion systems. Phase boundary, adsorption, macromolecules, polyelectrolytes, colloids, micelles.
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, Peter William - Paula, Julio de. Physical chemistry for the Life Sciences. 1st ed. N.Y. : W. H. Freeman and Company, 2006, 699. ISBN 0-1992-8065-9
  • ATKINS, P. W. Fyzikálna chémia. 6. vyd. Bratislava: Slovenská technická univerzita v Bratislave, 1999, 308 s. ISBN 80-227-1238-8. info
  • Kubáček, Pavel. Základy fyzikální chemie. Hypertext, MU 2004; http://cheminfo.chemi.muni.cz/ianua/ZFCh
  • MOORE, Walter J. Fyzikální chemie. 2. vyd. Praha: Nakladatelství technické literatury, 1981, 974 s. info
Bookmarks
https://is.muni.cz/ln/tag/PříF:C4660!
Assessment methods (in Czech)
Předmět je vyučován formou přednášky doplněné možností průběžného procvičování látky e-testy v IS.
Ukončení předmětu (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 each semester.
Listed among pre-requisites of other courses
The course is also listed under the following terms Autumn 2007 - for the purpose of the accreditation, Spring 2008 - for the purpose of the accreditation, Spring 2011 - only for the accreditation, Autumn 2010 - only for the accreditation, Spring 2001, Spring 2002, Spring 2003, Spring 2004, Spring 2005, Autumn 2005, Spring 2006, Autumn 2006, Spring 2007, Autumn 2007, Autumn 2008, Spring 2009, Autumn 2009, Spring 2010, Autumn 2010, Spring 2011, Spring 2012, Autumn 2011 - acreditation, spring 2012 - acreditation, Spring 2013, Spring 2014, Spring 2015, Spring 2016, Spring 2017, spring 2018, Spring 2019, Spring 2020, Spring 2021, Spring 2022, Spring 2023, Spring 2024, Spring 2025.
  • Enrolment Statistics (Spring 2008, recent)
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