C4660 Basic Physical Chemistry

Faculty of Science
Spring 2016
Extent and Intensity
2/0/0. 2 credit(s) (plus extra credits for completion). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
Teacher(s)
doc. RNDr. Pavel Kubáček, CSc. (lecturer)
doc. Mgr. Dominik Heger, Ph.D. (alternate examiner)
doc. Mgr. Markéta Munzarová, Dr. rer. nat. (alternate examiner)
Guaranteed by
doc. RNDr. Pavel Kubáček, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science
Timetable
Tue 16:00–17:50 B11/132
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
there are 41 fields of study the course is directly associated with, display
Course objectives
After completing this course students will understand, at an introductory level, 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, Boltzmann's 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 law, 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
    recommended literature
  • ATKINS, P. W. and Julio DE PAULA. Fyzikální chemie. Vyd. 1. Praha: Vysoká škola chemicko-technologická v Praze, 2013, xxvi, 915. ISBN 9788070808306. info
  • ATKINS, P. W. and Julio DE PAULA. Atkins' physical chemistry. 8th ed. Oxford: Oxford University Press, 2006, xxx, 1064. ISBN 0198700725. 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
  • ATKINS, P. W. Physical chemistry. 6th ed. Oxford: Oxford University Press, 1998, 1014 s. ISBN 0198501013. info
  • ATKINS, P. W. Fyzikálna chémia. 6. vyd. Bratislava: Slovenská technická univerzita v Bratislave, 1999, 308 s. ISBN 80-227-1238-8. info
  • KUBÁČEK, Pavel and Zdena MICHALIČKOVÁ. Základy fyzikální chemie. Elportál. Brno: Masarykova univerzita, 2011. ISSN 1802-128X. URL 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
  • 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:C4660!
Teaching methods
Twelve non-obligatory lectures with twelve running optional home works (e-tests).
Assessment methods
Final written examination (multiple choice e-test; 38 questions) lasts 100 minutes. Maximum of points will be 50 (A: 50-45; B: 44-40; C: 39-35; D: 34-30; E: 29-25; F: 24-0 points; P: 50-20; N: 19-0 points).
Language of instruction
Czech
Follow-Up Courses
Further Comments
Study Materials
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, Spring 2008, 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 2017, spring 2018, Spring 2019, Spring 2020, Spring 2021, Spring 2022, Spring 2023, Spring 2024, Spring 2025.
  • Enrolment Statistics (Spring 2016, recent)
  • Permalink: https://is.muni.cz/course/sci/spring2016/C4660