C4020 Advanced Physical Chemistry

Faculty of Science
autumn 2017
Extent and Intensity
2/0/0. 2 credit(s) (fasci plus compl plus > 4). Type of Completion: zk (examination).
Teacher(s)
doc. Mgr. Markéta Munzarová, Dr. rer. nat. (lecturer)
doc. Mgr. Dominik Heger, Ph.D. (lecturer)
Mgr. Hugo Semrád (seminar tutor)
Guaranteed by
doc. Mgr. Markéta Munzarová, Dr. rer. nat.
Department of Chemistry - Chemistry Section - Faculty of Science
Supplier department: Department of Chemistry - Chemistry Section - Faculty of Science
Timetable
Mon 18. 9. to Fri 15. 12. Wed 11:00–12:50 B11/205
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 16 fields of study the course is directly associated with, display
Course objectives
The goal of the course C4020 is to instruct students in basic understanding of chemical kinetics, thermodynamics of mixtures, dynamical electrochemistry, electronic structure, and selected molecular spectroscopies.
Learning outcomes
After completing this course, students will be able to:
- write down and solve kinetic equations for basic types of reactions
- understand phase diagrams of mixtures
- describe the dynamics of electrode processes
- employ symmetry for the classification of orbital interactions
- interpret electronic and basic magnetic resonance spectra
Syllabus
  • 1. Kinetic theory of the ideal gas. Pressure and molecular speeds. Root-mean-square spee and its calculation. Maxwellovo rozdělení rychlostí. Střední rychlost molekul a její výpočet. Odchylky od ideálního chování plynu: atrakce molekul a vliv jejich objemu. Kompresibilitní faktor. Van der Waalsova rovnice reálného plynu a kritické veličiny.
  • (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, equations 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 Peter, de Paula Julio: Fyzikální chemie, VŠCHT Praha (1. vydání, 2013) , ISBN: 978-80-7080-830-6.
  • ATKINS, P. W. and Julio DE PAULA. Atkins' physical chemistry. 9th ed. Oxford: Oxford University Press, 2010. xxxii, 972. ISBN 9780199543373. info
    not specified
  • KLOUDA, Pavel. Fyzikální chemie : studijní text pro SPŠCH. 2., upr. a dopl. vyd. Ostrava: Pavel Klouda, 2002. 139 s. ISBN 8086369064. info
  • 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
  • MOORE, Walter J. Fyzikální chemie. 2. vyd. Praha: Nakladatelství technické literatury, 1981. 974 s. info
Bookmarks
https://is.muni.cz/ln/tag/PříF:C4020!
Teaching methods
Thirteen non-obligatory lectures. Enrollment in the corresponding seminar course C3150 is strongly recommended.
Assessment methods
The basis of the exam is a written test with the prevalence of open questions. The test will be corrected and augmented with scores corresponding to individual tasks. The cutoff score for a successful written part is 50% points. A grade for the written part will be awarded according to the following clue: 50-59% points E, 60-69% points D, 70-79% points C, 80-89% points B, 90-100% points A. After a successful written part, oral part will follow. The result of the oral part will setup a final grade awarded. The final grade will be at most 1 degree worse and at most 2 degrees better with respect to the written part. Thus all students with a test score corresponding to D at the worst case will pass the exam, students with a test score corresponding to E may and may not pass the exam.
Language of instruction
Czech
Follow-Up Courses
Further comments (probably available only in Czech)
Study Materials
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 2008, Spring 2009, Spring 2010, Autumn 2010, Spring 2011, Autumn 2011, Autumn 2011 - acreditation, Autumn 2012, Autumn 2013, Autumn 2014, Autumn 2015, Autumn 2016, Autumn 2018, Autumn 2019, Autumn 2020, autumn 2021.
  • Enrolment Statistics (autumn 2017, recent)
  • Permalink: https://is.muni.cz/course/sci/autumn2017/C4020