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Added GOAMAZON14 case
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Huug Ouwersloot committed Nov 13, 2019
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202 changes: 202 additions & 0 deletions cases/GOAMAZON14/ControlExperiment/input/baseprof.inp.047
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92 changes: 92 additions & 0 deletions cases/GOAMAZON14/ControlExperiment/input/chem.inp.047
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# FORMAT OF inputchem
# EVERY ITEM SHOULD BE SEPERATED BY AT LEAST ONE SPACE
# EXCEPT FOR THE COEFFICIENTS IN THE REACTIONS
# PUT NONACTIVE CHEMICAL COMPONENTS WITH COEFFICIENTS IN ().
# No empty lines are allowed. Comment line should start with a #.
# The file should start with a line with a @ as the first character, the rest of the line is free.
# and should be followed by 3 lines with no comments in between.
# The first line should contain the chemical species in same order as in scalar.inp, follwoed by
# 2 lines with the atol and rtol value's
# After the last reaction there should be a line with a $ as the first character.
@ 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21
INERT O3 O1D NO NO2 CH4 CH2O CH3O2 MVK ISO RO2 OH HO2 CO H2O PRODUC O2 N2 HNO3 H2O2 CO2
1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5 1e-5
0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01
#
#--------------------------------------------------------------------------------------------------------------
# kr2nd |Name |Rad |func1| A | B | C | D | E | F | G | chemical reaction
# | |Dep | | | | | | | | | with inactive species
# |6char|int |int | real | real | real | real | real | real | real | in ( )
#---------------------------------------------------------------------------------------------------------------
# all reactions must have a name
2.e-5 R_1 1 2 6.62e-5 -.575 1.2 1.0 1.0 1.0 1.0 O3 + (hv) -> O1D + O2
1.0 R_2 0 2 1.63e-10 60 1.0 1.0 1.0 1.0 1.0 O1D + H2O -> 2OH
1.0 R_3 0 2 2.15e-11 110 1.0 1.0 1.0 1.0 1.0 O1D + N2 -> O3
1.0 R_4 0 2 3.30e-11 55 1.0 1.0 1.0 1.0 1.0 O1D + O2 -> O3
#5.0667e-6 R_O3 1 4 6.29e-5 2.412 0.7 2.2e-10 2.9e-11 1.0 1.0 O3 -> 2OH + (O2)
#
1.0 R_5 0 1 2.40e-13 1.0 1.0 1.0 1.0 1.0 1.0 OH + CO -> HO2 + (CO2)
1.0 R_6 0 2 2.45e-12 -1775. 1.0 1.0 1.0 1.0 1.0 OH + CH4 -> CH3O2
1.0 R_7 0 1 1.00e-10 1.0 1.0 1.0 1.0 1.0 1.0 OH + ISO -> RO2
1.0 R_8 0 1 2.40e-11 1.0 1.0 1.0 1.0 1.0 1.0 OH + MVK -> HO2 + CH2O
#
1.0 R_9 0 2 3.50e-12 250. 1.0 1.0 1.0 1.0 1.0 HO2 + NO -> OH + NO2
1.0 R_10 0 2 2.8e-12 300. 1.0 1.0 1.0 1.0 1.0 CH3O2 + NO -> HO2 + NO2 + CH2O
1.0 R_11 0 1 1.00e-11 1.0 1.0 1.0 1.0 1.0 1.0 RO2 + NO -> HO2 + NO2 + MVK + CH2O
#
1.0 R_12 0 2 5.50e-12 125 1.0 1.0 1.0 1.0 1.0 OH + CH2O -> HO2
#1.0 R_14 0 2 2.10e-13 750 1.0 1.0 1.0 1.0 1.0 HO2 + HO2 -> H2O2
1.0 R_14 0 6 2.20e-13 600 1.9e-33 980 1.4e-21 2200 1.0 2HO2 -> H2O2 + (O2)
1.0 R_15 0 2 4.10e-13 750 1.0 1.0 1.0 1.0 1.0 CH3O2 + HO2 -> PRODUC
1.0 R_16 0 1 1.50e-11 750 1.0 1.0 1.0 1.0 1.0 RO2 + HO2 -> PRODUC
1.0 R_17 0 2 3.50e-12 340 1.0 1.0 1.0 1.0 1.0 OH + NO2 -> HNO3
#
0.0167 R_NO2 1 2 1.67e-2 -.575 1.2 1.0 1.0 1.0 1.0 NO2 + (O2) -> NO + O3
1.0 R_CH2O 1 2 5.88e-5 -.575 1.2 1.0 1.0 1.0 1.0 CH2O + (hv) -> HO2
1.0 R_19 0 2 3.00e-12 -1500 1.0 1.0 1.0 1.0 1.0 NO + O3 -> NO2 + (O2)
$ end of chemical reactions specified by $ as first character on the line.

#
# function = 0 => Meaning K colum kn2rd in PPB*sec no temp dependence
# function = 1 => Meaning K colum A in cm3/molecule*sec no temp dependence (conversion factor cm3/molecs -> 1/ppbs)
# function = 2 => K = K (cm3/molecule*sec)
# MEANING of A..G K = A * exp (B/T)
# function = 3 => K = K (cm3/molecule*s)
# MEANING of A..G K = A * (T/B)^C * exp (D/T)
# function = 4 => K = K'* K"/(K'+ K")* G (cm3/molecule*sec)
# MEANING of A..G K'= A * (T/300)^B * exp(C/T)[M] K" = D * (T/300)^E * exp(F/T) Fc = G
# function = 5 => K = K'* K"/(K'+ K")* G (/sec)
# MEANING of A..G K'= A * (T/300)^B * exp(C/T)[M] K" = D * (T/300)^E * exp(F/T) Fc = G
# function = 6 => K = K'* K" (cm3/molecule*s)
# MEANING of A..G K= A * exp (B/T) K" = 1 + C * exp(D/T)[H20]
# function = 7 => K = K (cm6/molecule2*s)for above R63Ab reaction K = A * (T/1)^0 * exp(0/T)=A*1*1 = A
# MEANING of A..G K = A * (T/B)^C * exp (D/T)

# function for photolysis reactions

# function = 1 => ! constant independent of sza
# Keff = A
# function = 2 =>) ! exponential function
# Keff = A * exp(B / coszen)
# function = 3 => ! powerfunction
# Keff = A * coszen ** B
# function = 4 => ! powerfunction but special for JO3 because of dependence on H2O and Air
# Keff = A * (coszen ** B) * D*[H2O] / (D*[H2O] + E*[M])
# function = any other number =>
# Keff = 1.
#
#

# reactions for nighttime chemistry
#0.583E+0 R_57A 0 2 1.8e-11 110 1.0 1.0 1.0 1.0 1.0 NO + NO3 -> 2NO2
#0.109E-5 R_58A 0 2 1.4e-13 -2470 1.0 1.0 1.0 1.0 1.0 NO2 + O3 -> NO3 + (O2)
#0.148E-1 R_61A 0 4 3.6e-30 -4.1 0.0 1.9e-12 0.2 0.0 .35 NO2 + NO3 -> N2O5
#0.996E-1 R_62A 0 5 1.3e-3 -3.5 -11000 9.7e14 0.1 -11080 .35 N2O5 -> NO3 + NO2
#0.567E-11 R_63Aa 0 2 2.5e-22 0.0 1.0 1.0 1.0 1.0 1.0 N2O5 + H2O -> 2HNO3
#1.0 R_63Ab 0 7 1.8e-39 1.0 0.0 0.0 1.0 1.0 1.0 N2O5 + 2H2O -> 2HNO3 + H2O

#Photolysis
#5.0667e-6 R_O3 1 1 1.0 1.0 1.0 1.0 1.0 1.0 1.0 O3 -> 2HO + (O2)
#0.0167 R_NO2 1 1 1.0 1.0 1.0 1.0 1.0 1.0 1.0 NO2 + (O2) -> NO + O3
#2.530e-6 R_O3 1 0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 O3 -> 2HO + (O2)
#8.330e-3 R_NO2 1 0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 NO2 + (O2) -> NO + O3
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