Chemistry actor in GATE 10

D. E. Kwon, A. Pereda, G. R. Fois, H. N. Tran, G. Blain, S. Terfas, L. Maigne

► To cite this version:

D. E. Kwon, A. Pereda, G. R. Fois, H. N. Tran, G. Blain, et al.. Chemistry actor in GATE 10. GATE scientific meeting 2024, May 2024, Orsay (Paris region), France. hal-05311243

HAL Id: hal-05311243

https://hal.science/hal-05311243v1

Submitted on 13 Oct 2025

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Chemistry actor in GATE 10

D.E Kwon<fnref n="1" />, A. Pereda<fnref n="1" />, G.R. Fois<fnref n="1" />, H.N. Tran<fnref n="5" />, G.Blain<fnref n="2" />, S.Terfas<fnref n="2" />, and L. Maigne<fnref n="1" />*

The objective of our study was to implement a Chemistry actor in GATE 10 enabling the simulation of water radiolysis species over time after irradiation based on the Geant4-DNA (version 11.2) developments. To that purpose, in addition to the Geant4-DNA physics lists settings, we provided the possibility for the user to use and modify as input parameters: the method to produce the chemical species (independent reaction time (IRT) method or step by step (SBS) method), the chemistry reactions and their associated constant rates, the scavengers, the oxygen concentration, the time duration of the chemical stage and the beam dose rate.

To validate our implementation, we reproduced the Geant4-DNA chem6 example. This example follows the impact on the electron elastic scattering model on the simulation of radichemical yields. We achieved to obtain G values for H₃O⁺, HO⁻, HO', e⁻_aq, H₂O₂, O₂⁻ reactive species identical to chem6 example. We then implemented the 67 MeV proton ion beam produced at ARRONAX (Nantes) to irradiate ultra pure water to reproduce the experimental condition at different dose rates (0.2 Gy/s to 300 kGy/s) to compare with experimental measurement of G(H₂O₂) and G(e⁻_aq)

**Presenter:** Ms Daeun Kwon (LPCA, CNRS - Université Clermont Auvergne)

**Session Classification:** GATE scientific meeting 2024

<footnote n="1">¹ LPCA, CNRS- University of Clermont Auvergne, Clermont-Ferrand, France.</footnote>

<footnote n="2">²SUBATECH, CNRS, IMT Atlantique - Université de Nantes, France.</footnote>

<footnote n="3">³ Institut de Cancérologie de l’Ouest, Saint-Herblain, France.</footnote>

<footnote n="4">⁴ GIP ARRONAX, Saint-Herblain, France.</footnote>

<footnote n="5">⁵ LP2i Bordeaux, 33170 Gradignan, France.</footnote>