SubjectsSubjects(version: 877)
Course, academic year 2020/2021
  
Chemical Kinetics - AP403011
Title: Chemical Kinetics
Guaranteed by: Department of Physical Chemistry (403)
Actual: from 2019
Semester: summer
Points: summer s.:0
E-Credits: summer s.:0
Examination process: summer s.:
Hours per week, examination: summer s.:2/1 other [hours/week]
Capacity: unknown / unknown (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
Level:  
For type: doctoral
Note: course is intended for doctoral students only
can be fulfilled in the future
Guarantor: Slavíček Petr prof. RNDr. Ph.D.
Interchangeability : D403019, P403011
Annotation -
Last update: Slavíček Petr prof. RNDr. Ph.D. (16.05.2019)
The course focuses on chemical kinetics and dynamics of elementary chemical reactions. The PhD student will expand his/her knowledge in in several areas: (i) Kinetic Data Processing (ii) Modern Experimental Techniques (iii) Kinetics of Complex and Chemically Relevant Systems and (iv) Theory of Chemical Kinetics. After completing the course, the doctoral student will be able to follow the current literature in the field.
Aim of the course -
Last update: Slavíček Petr prof. RNDr. Ph.D. (16.05.2019)

The PhD student will be able to:

Analytically process kinetic schemes with first or pseudo-first order reactions.

Numerically process complex kinetic schemes.

Design a reaction mechanism based on kinetic data.

Process complex mechanism, including sensitivity analysis.

Understand published works on chemical kinetics and dynamics.

Calculate reaction rates from molecular data in the gas phase and in solution.

Understand the effects of the reaction environment on the rate of chemical reactions.

Cooperate with experiment.

Literature -
Last update: Slavíček Petr prof. RNDr. Ph.D. (16.05.2019)

R: M. J. Pilling, P. W. Seakins: Reaction kinetics. Oxford science publications, Oxford, 1995, 019855527X.

R: J. I. Steinfeld, J. S. Francisco and W. L. Hase: Chemical kinetics and dynamics, Prentice Hall, 1998, 0137371233.

R P. L. Houston: Chemical Kinetics and Reaction Dynamics. Dover Publications, 2001, 0486453340.

A: M. Albert Vannice: Kinetics of Catalytic Reactions. 2005, Springer, 9780387246499.

A: N. E. Henriksen, F. Y. Hansen: Theories of Molecular REaction Dynamics. Oxford University Press, 2008, 9780199203864.

Learning resources - Czech
Last update: Pátková Vlasta (16.11.2018)

http://www.vscht.cz/fch/cz/vyuka/N403006.html

http://www.vscht.cz/fch/cz/pomucky/bartovska/N403006.html

http://vydavatelstvi.vscht.cz/katalog/uid_isbn-978-80-7080-670-8/

Syllabus -
Last update: Matějka Pavel prof. Dr. RNDr. (16.06.2019)

1. Review of basic concepts of chemical kinetics: reaction rate, rate equations, mechanisms, Arrhenius equation, experimental methods of chemical kinetics.

2. Analytical solution of complex schemes: Laplace transform method and matrix method.

3. Numerical solutions of complex schemes, nonlinear systems.

4. Approximate methods in chemical kinetics and mechanisms of chemical reactions.

5. Kinetics of multi-component systems: homogeneous and heterogeneous catalysis.

6. Kinetics of multi-component systems: polymerization reactions, branched chain reactions.

7. Kinetics of multi-component systems: combustion chemistry, branched chain reactions, atmospheric chemistry.

8. Advanced experimental techniques 1: Time resolved spectroscopies, femtochemistry.

9. Advanced experimental techniques 2: The study of molecular collisions, molecular beam method.

10. Dynamics of elementary chemical reactions, trajectory method, potential energy surface. Collision theory.

11. Statistical theory of elementary chemical reactions, transition state theory, RRKM method. Quantum Corrections.

12. Theory of solutions in solutions: TST in solution, diffusion-controlled reactions, Kramers theory.

13. Kinetics of photochemical processes. Theory of photochemical reactions, non-adiabatic processes.

14. Presentation of an individual project.

 
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