The application of the radiation chemical computer program chemsimul, for the calculation of radiolysis in connection with the storage of high level waste has been studied. Methods have been developed for the diffusion of gases out of the irradiated system, for the continuous addition of Fe2+ to and removal of Fe(OH), from the solution, and for reactions with a solid UO2-wall. The validity of the program has been confirmed by comparing calculated results with results of well-documented experiments described in the literature. In three of these experiments, pure water containing only oxygen and hydrogen was irradiated. In another experiment, the production of Fe(III) and H` by the irradiation of aqueous ferrous sulphate solutions at natural pH values was determined. The agreement between the calculated and experimental results was good in all cases, except for H+ in the last case, where a deviation of 20% was found. Even more complex systems, such as bentonite/water mixtures irradiated with γ- or β-radiaton, were simulated by computer calculations. Also in these cases the agreement between experiment and calculation was satisfactory.
|Journal||Nuclear and Chemical Waste Management|
|Publication status||Published - 1986|