Low-linear energy transfer radiolysis of liquid water at elevated temperatures up to 350 °C: Monte-Carlo simulations

Our Monte-Carlo modeling of the high-temperature radiolysis of water by low-LET radiation was re-examined in an attempt to reconcile our computed g-values of the various radiolytic products ( e aq - , OH, H, H2, and H2O2) with recently re-assessed experimental data up to 350 °C. The inclusion in our simulations of the abrupt drop in the rate constant for the self-reaction of e aq - above 150 °C led us to re-evaluate the temperature dependence of certain parameters intervening in the physicochemical stage of the radiolysis. A very good agreement was found between model and experiment. The importance of the reaction of H atoms with water in the unexplained yield of H2 above 200 °C was also briefly discussed.