Lectures delivered by: Ernő Keszei , Room No. 148 , phone: 372-2500 / extension 1904, keszei@chem.elte.hu
Place & time: Room 132 (Chemistry Building), Thursday 10:00 to 11:30
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Thursdays February 9 to 23
Thursday March 2
No lecture
Brush-up of your knowledge of statistical
thermodynamics, especially the basics of
microcanonical ensemble, calculation of the molecular canonical partition
function and the calculation of the equilibrium constant from the canonical
partition function.
To learn: your notes, and
The statistical thermodynamics Chapter of the
textbook Chemical Thermodynamics.
Auxiliary material:
A presentation (in Hungarian) of statistical
thermodynamics within the course Physical Chemistry 1. The thermodynamics
textbook of H. B. Callen.
Thursday March 9
Theories of elementary reactions
based on statistical physics: Collision theory, Potential Energy Surfaces (PES)
and the Transition State Theory (TST) based on the quasi-equilibrium
approximation. TST based on a dynamic approximation on a PES, and
quantum dynamical simulations without invoking the Born-Oppenheimer
approximation and PES.
To learn: your notes, Chapters 1 and 2 (pp. 1-37) of the Textbook; a
booklet on rate theories (or pages 1-25
of the
Hungarian kinetics notes), and Chapter 3 of the
Pilling book / its
Hungarian edition.
Auxiliary material:
A historical overview of the development of theories can
be found in Hungarian in MKL p. 368, in
English in the manuscript sent to Polanyiana.
Thursday March 16
Experimental methods used to study chemical
kinetics: "classical" methods, discharge flow, continuous flow and stopped flow
reactors, relaxation methods. Methods of detection: resonance fluorescence,
laser induced fluorscence, mass spectrometry. Shock tubes. Flash photolysis and
laser photolysis.
To learn: your notes, the presented
material, Chapter 7 (pp. 161-181) of the Textbook;
and Chapter 2 of the
Pilling book / its
Hungarian edition. A booklet on
elementary kinetics, where the last pages discuss pseudo-first-order
reactions in more details (or pages 39-41 of the
Hungarian kinetics notes).
Thursday March 23
Reaction dynamics: Interaction potentials and the harpoon
mechanism. Early experimental methods: large experimental setups for molecular
beam collisions. Recent experimental setups: laser beams and their interaction
with bulk mixtures and molecular beams. State-selective excitation and
state-selective detection.
To learn:
your notes, a
booklet on rate theories (or pages 1-25
of the
Hungarian kinetics notes), and Chapter 4 of the
Pilling book / its
Hungarian edition.
Thursday March 30
Thursday April 6
Thursday April 13
Guest speaker: András Szanthoffer
Topics:
Theories of unimolecular reactions.
To learn: Chapter 5 of the
Pilling book / its
Hungarian edition + your notes.
Auxiliary material:
the presentation shown
Maundy Thursday; No lecture
Kinetics of reactions in solution: General considerations
concerning the difference between condensed phase reactions and gas phase
reactions. Electrostatic interactions of ions and dipole molecules and their
contributions to the energetics of reactions. The effect of activity on the rate
of reactions ("primary salt effect").
To learn: your notes and Chapter 6 of the
Pilling book /
its Hungarian edition.
Download the table mentioned
in the lecture.
To learn: your notes and Chapter 6 of the
Pilling book / its
Hungarian edition.
Auxiliary material:
Presentation shown.
Thursday April 27
Thursday May 4
Thursday May 11
Thursday May 18
Thursday May 25
Last modified: April 30, 2023
Fotochemistry. Basic events in photochemical reactions. Photochemical
principles and experimental methods. Some everyday photochemical /
photobiological applications. (e. g. beer chemistry, the mechanism of suntan,
etc.)
To learn: Chapter 12 of the
Pilling book / its
Hungarian edition + your notes.
Auxiliary material:
the presentation shown.
Femtochemistry. Experimental methods in the picosecond and femtosecond time
window.
To learn: your notes, Chapter 4 of the
Pilling book / its
Hungarian edition, and the projected material.
Auxiliary material:
The Hungarian monograph
"Femtokémia..."
is also available. The review article mentioned during the course is available
at the URL
http://arjournals.annualreviews.org/toc/physchem/57/1.
Pulsed lasers and their use in chemical kinetics
(auxiliary material in Hungarian).
Eötvös Day; No lecture
Guest speaker: Ákos Veres-Ravai
Topics: Quasi-classical reaction trajectory computations.
To learn: TBD soon
Auxiliary material: TBD soon.
Guest speaker: Ábel Zsubrits
Topics: Electrode kinetics: The use of electrochemistry in reaction kinetics and mechanism research.
To learn: TBD soon
Auxiliary material: TBD soon.