Development of a temperature-dependent chemical simulation code based on PHITS for water radiolysis from 0 to 350C

Matsuya, Yusuke  ; Yoshii, Yuji*; Kusumoto, Tamon*; Wang, Y.*; Ogawa, Tatsuhiko   ; Sato, Tatsuhiko   ; Kai, Takeshi   

Water radiolysis plays an important role in radiation effects on materials, such as DNA damage in the human body and corrosion processes in nuclear reactors. Conventional chemical simulation codes are generally limited to around room temperature, which differs significantly from the temperature conditions encountered in reactor environments. In this study, we developed a chemical simulation code (PHITS-Chem) based on the general-purpose Monte Carlo code, the Particle and Heavy Ion Transport code System (PHITS), applicable over a temperature range 0 to 350C. The code explicitly considers the temperature dependence of diffusion coefficients and reaction rate constants, and its performance was validated by comparing the calculated G-values with previously reported experimental and theoretical data for low-LET (0.2 keV/m), medium-LET (11.9 keV/m), and high-LET (63.4 keV/m) radiation. The developed code enables high-precision evaluation of the reaction kinetics of radiolytic species over a wide temperature range and is expected to be useful for assessing in-core material degradation and for studies related to severe accident mitigation in nuclear reactors.