Modeling of hydrogen generation by hexane and its water mixture by radiolysis

The rates of hydrogen molecule formation processes (W) for H2, CH4, C2H6, C3H8, C4H10, and C5H12 in hexane were 3, 0.12, 0.56, 0.57, 0.3 and 0.06 x 10-14 molecule/s. Molecular particle yields (G) for H2, CH4, C2H6, C3H8, C4H10, and C5H12 in hexane were 3.4, 0.14, 0.6, 0.6, 0.34, and 0.07 molecules/100eV. The rates of molecular hydrogen formation processes (W) and molecular hydrogen yields (G) for 11.5% C6H14 + 88.5% H2O systems were 0.50 x 10-14 molecule/s and 1.63 molecules/100eV. These values for 22% C6H14 + 78% H2O systems were 1.24 x 10-14 molecules/s and 3.0 molecules/100eV. Also, the values for 50% C6H14 + 50% H2O systems were 1.6 x 10-14 molecule/s, and 5.0 molecules/100eV. The values of Gads and Gtot ranged from 4.4 to 22.25 mol-ecules/100eV and 1.8 to 6.5 molecules/100eV. Monte Carlo modeling established the kinetics of the accumu-lation of radicals and radiolysis products. It was determined that the reactions occurred in spurs involving the hydrated electron eaq, H center dot, H+, OH center dot, H2, OH-, and H2O2, and the number of reactions involving these particles was 10.