Computer modeling studies of the molecular product and ferric ion yields in the radiolysis of water and aqueous solutions with high energy electrons

Abstract Radiation chemical yields have been modeled for two systems: (1) ferric ion yields in irradiated, acidic ferrous sulfate and (2) H 2 and H 2 O 2 yields in irradiated neutral and acidic aqueous solutions, some containing H 2 O 2 added before irradiation. These modeling efforts are significant because one model, employing fitting parameters from modeling kinetic data obtained in pulse radiolysis studies, has been able to predict accurately a significant number of final chemical yields with little or no adjustment in fitting parameters. Thus, the model has now been tested with a variety of experimental data taken with high energy electrons and has met all tests put to it, including previously difficult-to-model molecular yield data.