Theoretical Foundations of Radiation Chemistry
- Libor Juha (guarantor)
- 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:
J. Bednář: Theoretical Foundations of Radiation Chemistry, Academia, Praha 1990
J. W. T. Spinks, R. J. Woods: Introduction to Radiation Chemistry, Wiley, NY 1990
L. G. Christophorou: Atomic and Molecular Radiation Physics, Wiley, London-NY 1971
Radiation Chemistry (Ed. Farhataziz, M. A. J. Rodgers), VCH, NY-Weinheim 1987
Kinetics of Nonhomogeneous Processes (Ed. G. R. Freeman), Wiley, NY 1987
Charged Particle and Photon Interactions with Matter (Eds A. Mozumder, Y. Hatano), M. Dekker, NY-Basel 2004
Recent Trends in Radiation Chemistry (Eds J. F. Wishart, B. S. M. Rao), World Scientific, Singapore 2010
W. Hayes, A. M. Stoneham: Defects and Defect Processes in Nonmetalic Solids. Wiley, NY 1985
- Time-table for winter semester 2021/2022:
- Time-table is not available yet
- Time-table for summer semester 2021/2022:
- Time-table is not available yet
- The course is a part of the following study plans:
- Jaderná chemie (elective course)