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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 # Reaction rates with the scavengers based on Wasselin-Trupin et al.,
0011 # Rad. Phys. Chem., 2002
0012 #--------------------------------------------------------------------
0013
0014
0015 # Definition of scavengers ---------------
0016 # scavenger: NAME CONCENTRATION [mole/l]
0017 #-----------------------------------------
0018 scavenger: NO2- 10.e-3
0019 scavenger: NO3- 0.5e-3
0020
0021
0022 # Reactions between radio-induced species --------------------
0023 # REACTANTS -> PRODUCTS , RATE [1/s/(mole/l)] or [1/s] TYPE
0024 #-------------------------------------------------------------
0025 e_aq + e_aq + [H2O] + [H2O] -> H2 + OH- + OH- , 6.36e9 type_3
0026 e_aq + OH -> OH- , 2.95e10 type_2
0027 e_aq + H + [H2O] -> H2 + OH- , 2.50e10 type_1
0028 e_aq + H3O+ -> H + [H2O] , 2.11e10 type_4
0029 e_aq + H2O2 -> OH- + OH , 1.10e10 type_2
0030 OH + OH -> H2O2 , 5.50e9 type_2
0031 OH + H -> [H2O] , 1.55e10 type_2
0032 H + H -> H2 , 5.03e9 type_1
0033 H3O+ + OH- -> [H2O] + [H2O] , 1.13e11 type_3
0034
0035
0036 # Reactions with the scavengers
0037 # Specify the scavenger with []
0038 #-------------------------------
0039 OH + [NO2-] -> [NO2] + OH- , 8.e9 type_6 # NO2 not implemented; reaction with one product
0040 e_aq + [NO2-] -> [NO2--] , 3.5e9 type_6 # NO2-- not implemented; reaction without product
0041 e_aq + [NO3-] -> [NO3--] , 9.7e9 type_6 # NO3-- not implemented; reaction without product
