MONTE-CARLO SIMULATION OF THE LOW-LET RADIOLYSIS OF LIQUID WATER OVER THE RANGE 25 TO 350°C
The 5th International Symposium on SuperCritical Water-cooled Reactors - 2011 March 13-16


Presented at:
The 5th International Symposium on SuperCritical Water-cooled Reactors
2011 March 13-16
Location:
Vancouver,Canada
Session Title:
Chemistry II (Radiolysis and Structure)

Authors:
Sunuchakan Sanguanmith (Université de Sherbrooke)
Yusa Muroya (University of Tokyo)
Jintana Meesungnoen (Université de Sherbrooke)
Mingzhang Lin (Japan Atomic Energy Agency)
Yosuke Katsumura (University of Tokyo)
Leila Mirsaleh Kohan (Université de Sherbrooke)
David Guzonas (Atomic Energy of Canada Limited)
Craig R. Stuart (Atomic Energy of Canada Limited)
Jean-Paul Jay-Gerin (Université de Sherbrooke)
  

Abstract

A re-examination of our Monte-Carlo modeling of the high-temperature radiolysis of liquid water by low linear energy transfer (LET ~ 0.3 keV/μm) radiation was undertaken in an attempt to reconcile our computed g-values (primary or “escape” yields) of the various radiolytic products (e-aq, OH, H, H2, and H2O2) with newly measured or recently re-assessed experimental data over the range from 25 up to 350°C. In the calculations, we used the radiolysis database, including the rate constants, the diffusion coefficients of the radiation-induced species, the reaction mechanisms and the g-values, recently collected and summarized by Elliot (AECL) and Bartels (University of Notre Dame). Using a global-fit procedure, experimental data were found to be best reproduced when a discontinuity in the temperature dependence of certain physicochemical parameters was introduced at ~100-150°C. The presence of such a discontinuity was hypothesized to be associated with a change in the liquid structure of water around these temperatures. In addition to the physicochemical factors intervening in the radiolysis, the importance of the reaction of H atoms with water in contributing to the unexplained yield of H2 above 200°C was also investigated.

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