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0001 #------------------------------------------------------------------
0002 # List of Chemical Reactions for Water Radiolysis
0003 # -- Reaction rates in [1/s/(mole/l)] for second order reactions
0004 # -- Reaction rates in [1/s] for first order reactions
0005 # -- Concentration of scavengers in [mole/l]
0006 #
0007 # Based on the chemical reactions of G4EmDNAChemistry_option1
0008 # Reaction types based on Frongillo et al., Rad. Phys. Chem., 1998
0009 # Reaction rates from Plante and Devroye, Rad. Phys. Chem., 2017
0010 #------------------------------------------------------------------
0011
0012
0013 # Definition of scavengers ---------------
0014 # scavenger: NAME CONCENTRATION [mole/l]
0015 #-----------------------------------------
0016 scavenger: O2 5.20e-05 # 4% in partial pressure
0017
0018
0019 # Reactions between radio-induced species --------------------
0020 # REACTANTS -> PRODUCTS , RATE [1/s/(mole/l)] or [1/s] TYPE
0021 #-------------------------------------------------------------
0022 e_aq + e_aq + [H2O] + [H2O] -> H2 + OH- + OH- , 6.36e9 type_3
0023 e_aq + OH -> OH- , 2.95e10 type_2
0024 e_aq + H + [H2O] -> H2 + OH- , 2.50e10 type_1
0025 e_aq + H3O+ -> H + [H2O] , 2.11e10 type_4
0026 e_aq + H2O2 -> OH- + OH , 1.10e10 type_2
0027 OH + OH -> H2O2 , 5.50e9 type_2
0028 OH + H -> [H2O] , 1.55e10 type_2
0029 H + H -> H2 , 5.03e9 type_1
0030 H3O+ + OH- -> [H2O] + [H2O] , 1.13e11 type_3
0031
0032
0033 # Reactions with the scavengers
0034 # Specify the scavenger with []
0035 #-------------------------------
0036 e_aq + [O2] -> O2- , 1.74e10 type_6
0037 H + [O2] -> HO2 , 2.10e10 type_6
0038 O- + [O2] -> O3- , 3.70e9 type_6
