Primary yields and reaction sets with corresponding rate constants for computer simulation of water radiolysis at elevated temperature

ABSTRACTThe chemical conditions of coolant water in light water reactors are important factors affecting the corrosive environment and the integrity of the structural materials. Computer simulations have commonly been used to predict chemical environment changes due to water radiolysis under extreme conditions. Initial parameters, including the chemical reactions, rate constants, and primary yields of water decomposition by radiolysis, have been reported by several groups in the past few decades. Using a FACSIMILE simulation, the variations caused by utilizing different sets of primary yields of water radiolysis, including γ-rays and fast neutrons, along with the chemical reactions and rate constants at 285 °C were evaluated in this study. The rate constant of the reverse reaction of OH + H2 → H + H2O was found to be the main factor controlling the variation between the different sets of chemical reactions and rate constants.