Numerical modeling of radiation-chemical transformations of polychlorinated biphenyles in solution of hexane, isopropyl alcohol and alkali KOH

Numerical simulation of radiation-chemical transformations of chlorinated biphenyls in a hexane solution, isopropyl alcohol in the presence of alkali KOH is carried out. It includes 52 elementary reactions of radiolysis of hexane active particles (main component) with molecules of isopropyl alcohol and ion radicals OH- formed during electrolytic dissociation of alkali molecules. The kinetic curves of the conversion of PCB isomers in “Sovtol 10” (PCB 101, 138, 180, 194, PCB 18, and PCB 52) and products such as monochlorobiphenyls, biphenyls and Cl- at different absorbed doses were calculated. It is shown that some of the isomers are monotonously consumed with increasing doses, and a part of the kinetics is characterized by peaks. The calculated values of the radiation-chemical yields are agreed with the experimentally obtained values.