Geant4-DNA simulation of the pre-chemical stage of water radiolysis and its impact on initial radiochemical yields |
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| Institution: | 1. Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, SP, Brazil;2. CRCT, UMR 1037 INSERM, Université Paul Sabatier, Toulouse, France;3. UMR 1037, CRCT, Univ. Toulouse III-Paul Sabatier, F-31000 Toulouse, France;4. School of Physics and Astronomy, Monash University, Melbourne, Australia;5. School of Mathematics and Physics, Queen''s University Belfast, Belfast, UK;6. Department of Radiation Dosimetry, Nuclear Physics Institute of the CAS, Praha, Czech Republic;7. CNRS/IN2P3, Laboratoire de Physique Corpusculaire, Clermont Université, UMR6533 Aubière, France;8. Institut Pluridisciplinaire Hubert Curien, Strasbourg, France;9. Medical Physics Unit, Department of Oncology, McGill University, Montreal, QC, Canada;10. Department of Physics, Faculty of Sciences, Université Saint Joseph, Beirut, Lebanon;11. Centre for Medical Radiation Physics, University of Wollongong, NSW, Australia;12. Geant4 Associates International Ltd, United Kingdom;13. Ecoanalytica, 119899 Moscow, Russia;14. Notre Dame Radiation Laboratory, University of Notre Dame, Notre Dame, IN, United States;15. Medical Physics Laboratory, University of Ioannina Medical School, Ioannina 45110, Greece;p. IRSN, Institut de Radioprotection et de Sureté Nucléaire, BP17, 92962 Fontenay-aux-Roses, France;q. KEK, Tsukuba, Ibaraki, Japan;r. Vin?a Institute of Nuclear Sciences, University of Belgrade, Belgrade, Serbia;s. Division of Nuclear Physics, Ton Duc Thang University, Ho Chi Minh City, Viet Nam;t. Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Viet Nam;u. Univ. Bordeaux, CENBG, UMR 5797, F-33170 Gradignan, France;v. CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan, France |
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| Abstract: | This paper demonstrates the impact of the pre-chemical stage, especially the dissociation scheme and the associated probabilities, on water radiolysis simulation using the Geant4-DNA Monte Carlo track structure simulation toolkit. The models and parameters provided by TRACs have been collected and implemented into Geant4-DNA. In order to evaluate their influence on water radiolysis simulation, the radiochemical yields (G-values) are evaluated as a function of time and LET using the “chem6” Geant4-DNA example, and they are compared with published experimental and calculated data. The new pre-chemical models lead to a better agreement with literature data than the default pre-chemical models of Geant4-DNA, especially for  OH radicals and H2O2. The revised chemistry constructor “G4EmDNAChemistry_option3” is available in Geant4-DNA version 10.7. |
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