#--------------------------------------------------------------------
# List of Chemical Reactions for Water Radiolysis
#   -- Reaction rates in [1/s/(mole/l)] for second order reactions
#   -- Reaction rates in [1/s] for first order reactions
#   -- Concentration of scavengers in [mole/l]
#
# Based on the chemical reactions of G4EmDNAChemistry_option1
# Reaction types based on Frongillo et al., Rad. Phys. Chem., 1998
# Reaction rates from Plante and Devroye, Rad. Phys. Chem., 2017
# Reaction rates with the scavengers based on Wasselin-Trupin et al.,
# Rad. Phys. Chem., 2002
#--------------------------------------------------------------------


# Definition of scavengers ---------------
# scavenger: NAME  CONCENTRATION [mole/l]
#-----------------------------------------
scavenger: NO2-   10.e-3
scavenger: NO3-   0.5e-3


# Reactions between radio-induced species --------------------
# REACTANTS -> PRODUCTS , RATE [1/s/(mole/l)] or [1/s]   TYPE  
#-------------------------------------------------------------
e_aq + e_aq + [H2O] + [H2O] -> H2 + OH- + OH- , 6.36e9      type_3
e_aq + °OH -> OH- ,                              2.95e10     type_2
e_aq + H + [H2O] -> H2 + OH- ,                  2.50e10     type_1	
e_aq + H3O+ -> H + [H2O] ,                      2.11e10     type_4 	
e_aq + H2O2 -> OH- + °OH ,                       1.10e10     type_2
°OH + °OH -> H2O2 ,                               5.50e9      type_2
°OH + H -> [H2O] ,                               1.55e10     type_2
H + H -> H2 ,                                   5.03e9      type_1  	
H3O+ + OH- -> [H2O] + [H2O] ,                   1.13e11     type_3   


# Reactions with the scavengers
# Specify the scavenger with []
#-------------------------------
°OH + [NO2-] -> [NO2] + OH- , 8.e9      type_6  # NO2 not implemented; reaction with one product
e_aq + [NO2-] -> [NO2--] ,   3.5e9     type_6  # NO2-- not implemented; reaction without product
e_aq + [NO3-] -> [NO3--] ,   9.7e9     type_6  # NO3-- not implemented; reaction without product
