Monte-Carlo Simulation of the Radiolysis of Supercritical Water at 400 Degrees

Abstract

Monte-Carlo simulations are used to calculate the primary radical yields g(e-aq), g(OH), the sum [g(e-aq) + g(OH) + g(H)], and the ratio g(H)/g(e-aq) in the low-LET radiolysis of supercritical water (SCW) at 400 degrees C in the high-density, liquid-like region near ~0.5 g/cm3. Using all the currently available information on the reactivities and diffusion coefficients of the radiation-induced species under these conditions, a good accord is found between the calculated and the available experimental yield values. In particular, our computed yields at 60 ps and 1 ns compare very well with the recently reported time-dependent yields of hydrated electrons in SCW at 400 degrees C.