Chemical Physics Letters, Vol.508, No.4-6, 224-230, 2011
Low-linear energy transfer radiolysis of liquid water at elevated temperatures up to 350 degrees 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)-O-center dot, H-center dot, H-2, and H2O2) with recently re-assessed experimental data up to 350 degrees C. The inclusion in our simulations of the abrupt drop in the rate constant for the self-reaction of e(aq)(-) above 150 degrees 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-center dot atoms with water in the unexplained yield of H-2 above 200 degrees C was also briefly discussed. (C) 2011 Elsevier B. V. All rights reserved.