Geant4 Cross Reference |
1 #-------------------------------------------------------------------- 2 # List of Chemical Reactions for Water Radiolysis 3 # -- Reaction rates in [1/s/(mole/l)] for second order reactions 4 # -- Reaction rates in [1/s] for first order reactions 5 # -- Concentration of scavengers in [mole/l] 6 # 7 # Based on the chemical reactions of G4EmDNAChemistry_option1 8 # Reaction types based on Frongillo et al., Rad. Phys. Chem., 1998 9 # Reaction rates from Plante and Devroye, Rad. Phys. Chem., 2017 10 # Reaction rates with the scavengers based on Wasselin-Trupin et al., 11 # Rad. Phys. Chem., 2002 12 #-------------------------------------------------------------------- 13 14 15 # Definition of scavengers --------------- 16 # scavenger: NAME CONCENTRATION [mole/l] 17 #----------------------------------------- 18 scavenger: NO2- 10.e-3 19 scavenger: NO3- 0.5e-3 20 21 22 # Reactions between radio-induced species -------------------- 23 # REACTANTS -> PRODUCTS , RATE [1/s/(mole/l)] or [1/s] TYPE 24 #------------------------------------------------------------- 25 e_aq + e_aq + [H2O] + [H2O] -> H2 + OH- + OH- , 6.36e9 type_3 26 e_aq + °OH -> OH- , 2.95e10 type_2 27 e_aq + H + [H2O] -> H2 + OH- , 2.50e10 type_1 28 e_aq + H3O+ -> H + [H2O] , 2.11e10 type_4 29 e_aq + H2O2 -> OH- + °OH , 1.10e10 type_2 30 °OH + °OH -> H2O2 , 5.50e9 type_2 31 °OH + H -> [H2O] , 1.55e10 type_2 32 H + H -> H2 , 5.03e9 type_1 33 H3O+ + OH- -> [H2O] + [H2O] , 1.13e11 type_3 34 35 36 # Reactions with the scavengers 37 # Specify the scavenger with [] 38 #------------------------------- 39 °OH + [NO2-] -> [NO2] + OH- , 8.e9 type_6 # NO2 not implemented; reaction with one product 40 e_aq + [NO2-] -> [NO2--] , 3.5e9 type_6 # NO2-- not implemented; reaction without product 41 e_aq + [NO3-] -> [NO3--] , 9.7e9 type_6 # NO3-- not implemented; reaction without product