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Theoretical Foundations of Radiation Chemistry

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Code Completion Credits Range
15TZRCH ZK 2 2+0
Garant předmětu:
Libor Juha
Libor Juha
Department of Nuclear Chemistry

Theoretical description of an interaction of ionizing radiation with matter. Theory of primary processes in radiation chemistry: excitation and ionization. Recombination kinetics; charge and energy transfer in molecular systems. Inelastic electron scattering. Primary radiation chemical yields. Formation, structure and properties of solvated electrons. Track theory and models. Radiation chemical kinetics. Theory of an action of ionizing radiation in solids (electron-phonon interaction; radiation defects in crystals) and gases. State-of-matter effects in radiation chemical reactivity.


The course will be understood by students who have already coped with the introductory course of radiation chemistry given at the master level.

Syllabus of lectures:

1. Theory of interaction of ionizing radiation with matter. Theoretical description of photoeffect and Compton scattering. Theory of elastic and inelastic particle collisions. Passage of fast charged particles through matter: Bethe theory. Interaction and scattering of neutrons. Calculators of interaction parameters.

2. Temporal and spatial characteristics of particular processes taking place in radiolysis of a molecular system. Classification of these processes. Time-dependent Schrödinger equation.

3. Describing primary events in radiation chemistry theoretically. Excitation and superexcitation; ionization. Theoretical foundations of the spectroscopic notation of atomic and molecular states. Theory of Rydberg states: quantum defect. Excitation energy transfer in an isolated molecule and condensed molecular phase. Theory of charge transfer in molecular systems.

4. Behaviour of primary electrons and ions. Recombination kinetics. Inelastic scattering of electrons on atoms and molecules. Primary radiation chemical yields. Optical approximation, Electron degradation spectrum. Kinetic Boltzmann equation. Subexcitation electrons.

5. Theoretical approaches to the formation, structure and properties of solvated electrons. Computer simulations based on molecular dynamics (MD).

6. Track of ionizing particle in condensed phase. Track structure. Track models. Diffusion kinetics. High-dose-rate effects: track overlap.

7. Theoretical methods in radiation chemical kinetics. Theoretical attempts to describe temporal evolution of radiation chemical processes.

8. Theory of solid state radiolysis. Band model of solids. Electron-phonon interaction. Excitons, polarons, plasmons. Lattice defects; colour centres. Theoretical explanation of a difference in responses of ionic crystals (inorganic dielectrics), organic dielectrics, semiconductors and metals to ionizing radiation of various kind.

9. Theory of radiolysis of gases. How theory estimates state-of-matter effects on the radiation chemical action in a certain molecular system.

Syllabus of tutorials:
Study Objective:

Aim of the course is to provide students with detailed theoretical foundations of chemical consequences of the interaction of ionizing radiation with matter.

Study materials:

Povinná literatura:

[1]J. Bednář: Theoretical Foundations of Radiation Chemistry, Academia, Praha 1990

[2]J. W. T. Spinks, R. J. Woods: Introduction to Radiation Chemistry, Wiley, NY 1990

Doporučená literatura:

[1]L. G. Christophorou: Atomic and Molecular Radiation Physics, Wiley, London-NY 1971

[2]Radiation Chemistry (Ed. Farhataziz, M. A. J. Rodgers), VCH, NY-Weinheim 1987

[3]Kinetics of Nonhomogeneous Processes (Ed. G. R. Freeman), Wiley, NY 1987

[4]Charged Particle and Photon Interactions with Matter (Eds A. Mozumder, Y. Hatano), M. Dekker, NY-Basel 2004

[5]Recent Trends in Radiation Chemistry (Eds J. F. Wishart, B. S. M. Rao), World Scientific, Singapore 2010

[6]W. Hayes, A. M. Stoneham: Defects and Defect Processes in Nonmetalic Solids. Wiley, NY 1985

Time-table for winter semester 2023/2024:
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Time-table for summer semester 2023/2024:
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The course is a part of the following study plans:
Data valid to 2024-04-15
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