Gabriele Cosmo
39 lines
1.7 KiB
Plaintext
39 lines
1.7 KiB
Plaintext
#------------------------------------------------------------------
|
|
# 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
|
|
#------------------------------------------------------------------
|
|
|
|
|
|
# Definition of scavengers ---------------
|
|
# scavenger: NAME CONCENTRATION [mole/l]
|
|
#-----------------------------------------
|
|
scavenger: O2 5.20e-05 # 4% in partial pressure
|
|
|
|
|
|
# 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 []
|
|
#-------------------------------
|
|
e_aq + [O2] -> O2- , 1.74e10 type_6
|
|
H + [O2] -> HO2 , 2.10e10 type_6
|
|
O- + [O2] -> O3- , 3.70e9 type_6
|