CAPRAM 3.0

COMMENT  All the names of non-ionic aqueous phase species begin with a, cations end 
COMMENT  with p and anions end with m, respectively. 

COMMENT  CLASS: HENRY, TYPE: TEMP3
COMMENT	 Phase transfer
COMMENT  Kh = A exp(B (1/T - 1/298))
COMMENT  B = dH/R [K]
COMMENT  Further uptake parameters according to Schwartz's approach (alpha, Dg)  
COMMENT  are read elsewhere in the program
COMMENT Uptake Processes 

CLASS: HENRY 
CO2 = aCO2        
TEMP3:   A: 3.1e-2  B: 2423.0 

CLASS: HENRY 
O3 = aO3          
TEMP3:   A: 1.14e-2  B: 2300.0

CLASS: HENRY 
HO2  = aHO2       
TEMP3:   A: 9.0e3  B: 0.0

CLASS: HENRY 
HO = aHO          
TEMP3:   A: 25.0  B: 5280.0

CLASS: HENRY 
H2O2 = aH2O2      
TEMP3:   A: 1.02e5  B: 6340.0 

CLASS: HENRY 
NO2 = aNO2        
TEMP3:   A: 1.2e-2  B: 1263.0

CLASS: HENRY 
HONO = aHONO     
TEMP3:   A: 49.0   B: 4880.0

CLASS: HENRY 
HNO3 = aHNO3      
TEMP3:   A: 2.1e5  B: 8700.0

CLASS: HENRY 
NO3 =  aNO3         
TEMP3:   A: 6.0e-1  B: 0.0

CLASS: HENRY 
N2O5 = aN2O5
TEMP3:   A: 1.4e0  B: 0.0
 
CLASS: HENRY 
NH3 =  aNH3       
TEMP3:   A: 60.7  B: 3920.0

CLASS: HENRY 
HCL =  aHCL       
TEMP3:   A: 1.1  B: 2020.0 

CLASS: HENRY 
HCHO = aHCHO      
TEMP3:   A:  2.5 B: 7216.0

CLASS: HENRY 
ORA1 = aORA1   
TEMP3:   A: 5.53e3  B: 5630.0
 
CLASS: HENRY 
SO2 =  aSO2       
TEMP3:   A: 1.24  B: 3247.0
 
CLASS: HENRY 
OP1 =  aOP1       
TEMP3:   A:   310.0 B: 5607.0

CLASS: HENRY 
CH3COOH =  aCH3COOH      
TEMP3:   A: 5.5e3  B: 5890.0

CLASS: HENRY 
PAA =  aPAA      
TEMP3:   A: 6.69e2 B: 5890.0    

CLASS: HENRY 
MO2 =  aMO2      
TEMP3:   A:  310.0 B: 5607.0

CLASS: HENRY 
ETHPX =  aETHPX      
TEMP3:   A: 340.0  B: 87.0

CLASS: HENRY 
ETOH =  aETOH      
TEMP3:   A: 1.9e2 B: 6290.0  

CLASS: HENRY 
CH3OH =  aCH3OH      
TEMP3:   A: 2.2e2 B: 5390.0  

CLASS: HENRY 
CH3CHO =  aCH3CHO      
TEMP3:   A:  4.8 B: 6254.0   
                               
CLASS: HENRY 
BR2 =  aBR2      
TEMP3:   A: 7.58e-1 B: 3800.0

CLASS: HENRY 
CL2 =  aCL2      
TEMP3:   A: 9.15e-2 B: 2490.0  

CLASS: HENRY 
SULF =  aSULF      
TEMP3:   A:   8.7e11  B: 0.0 

CLASS: HENRY 
HNO4 =  aHNO4      
TEMP3:   A: 3e4  B: 0.0

CLASS: HENRY 
ACO3 =  aACO3      
TEMP3:   A: 6.69e2 B: 5893.0

CLASS: HENRY 
GLY = aGLY
TEMP3:  A: 1.4   B: 0.0

CLASS: HENRY 
[O2] = aO2
TEMP3:  A: 1.3e-3  B: 1700.0

CLASS: HENRY 
CLNO2 = aCLNO2
TEMP3:  A: 0.024 B: 0.0

CLASS: HENRY 
BRNO2 = aBRNO2
TEMP3:  A: 0.3 B: 0.0

CLASS: HENRY 
BRCL = aBRCL
TEMP3:  A: 0.94  B: 0.0

CLASS: HENRY 
NO = aNO
TEMP3:  A: 1.9e-3 B: 0.0    


COMMENT  Uptake processes organic extension

COMMENT  1-Propanol
CLASS: HENRY 
CH3CH2CH2OH = aCH3CH2CH2OH
TEMP3:  A: 135.0  B: 7500

COMMENT  2-Propanol
CLASS: HENRY 
CH3CHOHCH3 = aCH3CHOHCH3
TEMP3:  A: 128.0  B: 7400

COMMENT  1-Butanol
CLASS: HENRY 
CH3CH2CH2CH2OH = aCH3CH2CH2CH2OH
TEMP3:  A: 130.0  B:  7200

COMMENT  2-Butanol
CLASS: HENRY 
CH3CH2CHOHCH3 = aCH3CH2CHOHCH3
TEMP3:  A: 110.0  B:  7300

CLASS: HENRY 
C2H5CHO = aC2H5CHO
TEMP3:  A: 13  B: 5700

COMMENT  Butanal
CLASS: HENRY 
CH3CH2CH2CHO = aCH3CH2CH2CHO
TEMP3:  A: 9.6  B:  6200

COMMENT Propanoic acid
CLASS: HENRY 
CH3CH2COOH = aCH3CH2COOH
TEMP3:  A: 5710  B: 0.0

COMMENT  Butyric acid
CLASS: HENRY 
CH3CH2CH2COOH = aCH3CH2CH2COOH
TEMP3:  A:  4700.0  B:  0.0

COMMENT Methylglyoxal
CLASS: HENRY 
MGLY = aMGLY
TEMP3:  A: 1.4  B: 0

COMMENT  Acetone
CLASS: HENRY 
CH3COCH3 = aCH3COCH3
TEMP3:  A: 32  B: 5770

COMMENT MEK
CLASS: HENRY
CH3CH2COCH3 = aCH3COCH2CH3
TEMP3:  A: 19.8  B: 2184

COMMENT Hydroxyketone
CLASS: HENRY 
HKET = aCH3COCH2OH
TEMP3:  A: 129  B: 0.0

COMMENT Dycarbonyl
CLASS: HENRY 
DCB = aOHCCHCHCHO
TEMP3:  A: 3e5  B: 0.0

COMMENT Methyl Isobutyl Ketone
CLASS: HENRY
CH3COCH2CHCH32 = aCH3COCH2CHCH32
TEMP3:  A: 3.91  B: 0.0

COMMENT Ethyl Formate
CLASS: HENRY
C2H5OCHO = aC2H5OCHO
TEMP3:  A: 2.59  B: 0.0

COMMENT N Methyl Pyrrolidinone
CLASS: HENRY
CH2CH2CH2CONCH3 = aCH2CH2CH2CONCH3
TEMP3:  A: 3.13e5  B: 0.0

COMMENT Ethylene Glycol
CLASS: HENRY
CH2OHCH2OH = aCH2OHCH2OH 
TEMP3:  A: 4.0e6  B: 0.0

COMMENT COMMENT  End of uptake processes organic extension

COMMENT  Photolysis processes CAPRAM 2.4  

CLASS: AQUA 
FEOHpp    = FEpp  + aHO  
PHOTABC:   A: 4.76e-03   B: 2.19894e+00  C: 0.76087e+00 

CLASS: AQUA 
FEOH2p    = FEpp  + aHO + OHm
PHOTABC:   A: 6.10e-03   B: 2.21811e+00  C: 0.76118e+00 

CLASS: AQUA 
NO3m   = aNO2 + aHO + OHm             
PHOTABC:   A: 4.57e-7 B: 2.59408e+00  C: 0.77213e+00

CLASS: AQUA 
NO2m     = aNO + aHO + OHm             
PHOTABC:   A: 2.70e-05  B: 2.01536e+00   C: 0.75915e+00 

CLASS: AQUA 
FESO4p     =  FEpp + SO4m             
PHOTABC:   A: 6.80e-05  B: 2.24656e+00   C: 0.76118e+00 

CLASS: AQUA 
aH2O2     = aHO + aHO             
PHOTABC:   A: 7.64e-06  B: 2.46425e+00   C: 0.76355e+00 

CLASS: AQUA 
FEC2O42m =   FEpp +  C2O4mm +  aCO2 + CO2m
PHOTABC:  A:  2.47e-2    B: 1.95825e+00     C: 0.76782e+00

CLASS: AQUA 
FEC2O43mmm =  FEpp  +  2 C2O4mm +  aCO2 + CO2m
PHOTABC:  A: 1.55e-2      B: 1.98840e+00     C: 0.76679e+00 

CLASS: AQUA 
aOP1 = aCH3O + aHO
PHOTABC:   A: 7.64e-06  B: 2.46425e+00   C: 0.76355e+00      

CLASS: AQUA 
aNO3           =     aNO + aO2
PHOTABC:   A: 2.32e-2  B: 0.66942e-00    C: 0.89103e-00

CLASS: AQUA 
aNO3           =     aNO2    +   aO3PX
PHOTABC:   A: 2.01e-01   B: 0.79342e-00   C:  0.87147e-00      

COMMENT Photolysis processes organic extension
COMMENT P1
CLASS: AQUA 
aHO2CH2COOH = aHO + aOCH2COOH
PHOTABC:  A: 7.64e-6  B: 2.46425e+00  C: 0.76366e+00

COMMENT Irreversible reactions CAPRAM 2.4
CLASS: AQUA 
aO3PX + aO2 = aO3
TEMP3:  A: 4e9  B: 0.0

CLASS: AQUA 
aH2O2 +  FEpp    =  FEppp + aHO  + OHm 
TEMP3:   A: 50.0  B:  0.0

CLASS: AQUA 
MNOHpp + aH2O2 = MNO2p + Hp + [aH2O]
TEMP3:   A: 2800.0  B:  0.0   

CLASS: AQUA 
MNpppp + aH2O2 =  MNpp + 2 Hp + aO2
TEMP3:   A: 1e6  B: 0.0  

CLASS: AQUA 
aH2O2 +  CUp = CUpp + aHO   + OHm
TEMP3:   A: 7.0e3  B: 0.0 

CLASS: AQUA 
MNppp + aH2O2 = aHO2 + Hp + MNpp
TEMP3:  A: 7.3e4  B: 0.0

CLASS: AQUA 
O2m   + FEppp =  FEpp + aO2            
TEMP3:   A: 1.5e8  B: 0.0 

CLASS: AQUA 
aHO2   + FEOHpp =  FEpp + aO2 + [aH2O]           
TEMP3:   A: 1.3e5  B: 0.0    

CLASS: AQUA 
O2m   + FEOHpp =  FEpp + aO2 + OHm           
TEMP3:   A: 1.5e8  B: 0.0 

CLASS: AQUA 
O2m   + FEOH2p =  FEpp + aO2  + OHm + OHm   
TEMP3:   A: 1.5e8  B: 0.0 
 
CLASS: AQUA 
O2m   +  FEpp = FEppp  + aH2O2  + 2 OHm - 2 [aH2O]     
TEMP3:   A: 1.0e7  B: 0.0 

CLASS: AQUA 
aHO2 + FEpp  = FEppp  + aH2O2  + OHm - [aH2O]
TEMP3:   A: 1.2e6  B: -5050.0      

CLASS: AQUA 
aHO + FEpp  = FEOHpp        
TEMP3:   A: 4.3e8  B: -1100.0      

CLASS: AQUA 
MNO2p + aHO2 = MNpp + aH2O2 + aO2 + OHm - [aH2O]
TEMP3:   A: 1.0e7  B: 0.0         

CLASS: AQUA 
aHO +  MNpp   = MNppp  + OHm     
TEMP3:   A: 2e7  B: 0.0 

CLASS: AQUA 
O2m  +  CUp   = CUpp  + aH2O2   + 2 OHm - 2 [aH2O]
TEMP3:   A:  1e10  B: 0.0 

CLASS: AQUA 
aHO2 +   CUp  = CUpp  + aH2O2  + OHm - [aH2O]
TEMP3:   A: 2.3e9  B: 0.0 

CLASS: AQUA 
aHO + CUp = OHm + CUpp
TEMP3:  A: 3.0e9  B: 0.0

CLASS: AQUA 
aHO2   +  CUpp = CUp  + aO2 + Hp
TEMP3:   A: 1.0e8  B: 0.0             

CLASS: AQUA 
O2m   +  CUpp = CUp  + aO2             
TEMP3:   A: 8.0e9  B: 0.0 

CLASS: AQUA 
FEppp  + CUp  = FEpp  + CUpp         
TEMP3:   A: 1.3e7  B: 0.0 

CLASS: AQUA 
FEOHpp  + CUp  = FEpp  + CUpp + OHm            
TEMP3:   A: 1.3e7  B: 0.0 

CLASS: AQUA 
FEOH2p  + CUp  = FEpp + CUpp + OHm + OHm           
TEMP3:   A: 1.3e7  B: 0.0 

CLASS: AQUA 
FEpp  + MNppp  = FEppp + MNpp          
TEMP3:   A: 1.6e4  B: 0.0 

CLASS: AQUA 
aO3  + O2m     =  O3m + aO2   
TEMP3:   A: 1.5e9  B:  -2200.0

CLASS: AQUA 
aHO3 = aHO + aO2
TEMP3:   A:  330.0  B: -4500.0           

CLASS: AQUA 
aHO2  + aHO2    = aH2O2  + aO2       
TEMP3:   A: 4.15e5   B: -2720.0 

CLASS: AQUA 
aHO2  + O2m    = aH2O2  + aO2 + OHm - [aH2O]
TEMP3:   A: 4.85e7   B: -1060.0 
                                   
CLASS: AQUA 
aHO2  + aHO  = aO2  +  [aH2O]           
TEMP3:   A: 1.0e10  B: 0.0 

CLASS: AQUA 
O2m  + aHO  = OHm + aO2          
TEMP3:   A: 1.1e10  B: -2120.0  

CLASS: AQUA 
aH2O2  + aHO  = aHO2  +  [aH2O]           
TEMP3:   A: 3.0e7  B: -1680.0 

CLASS: AQUA 
aOP1  + aHO  = aMO2  +  [aH2O]           
TEMP3:  A: 2.4e7  B: -1680.0  

CLASS: AQUA 
aOP1  + aHO  = aHO2 + aORA1
TEMP3:  A:  6e6  B: -1680.0        

CLASS: AQUA 
HSO3m  + aHO  = SO3m  +  [aH2O]           
TEMP3:   A: 2.7e9  B: 0.0 

CLASS: AQUA 
SO3mm  + aHO  = SO3m  +  OHm          
TEMP3:   A: 4.6e9  B: 0.0 
             
CLASS: AQUA 
MNO2p + MNO2p =  MNpp + MNpp + aH2O2 + 2 OHm - 2 [aH2O]
TEMP3:  A:  6.0e6  B: 0.0

CLASS: AQUA 
CUp + aO2 =  CUpp + O2m
TEMP3:  A: 4.6e5 B: 0.0

CLASS: AQUA 
FEpp + aO3 = FEOpp + aO2
TEMP3:   A:  8.2e5  B: -4690.0

CLASS: AQUA 
FEOpp + aH2O2 =  FEppp + aHO2 + OHm
TEMP3:   A:  9500.0  B: -2766.0               

CLASS: AQUA 
FEOpp  + [aH2O] =  FEppp + aHO + OHm
TEMP3:  A: 2.34e-4   B: -4089.0

CLASS: AQUA 
FEOpp + aHO2 = FEppp + aO2 + OHm
TEMP3:  A: 2e6  B: 0.0

CLASS: AQUA 
FEOpp + aHO = FEppp + aH2O2  + OHm - [aH2O]
TEMP3:  A: 1e7  B: 0.0

CLASS: AQUA 
FEOpp + aHONO = FEppp + aNO2 + OHm
TEMP3:  A: 1.1e4 B: -4150.0

CLASS: AQUA 
FEOpp + HSO3m = FEppp + SO3m + OHm
TEMP3:  A: 2.5e5   B: 0.0

CLASS: AQUA 
FEOpp + CLm = FEppp + CLOHm + OHm - [aH2O]
TEMP3:  A: 100.0 B: 0.0

CLASS: AQUA 
FEOpp + MNpp = MNppp + FEppp + 2 OHm - [aH2O]
TEMP3:  A: 1e4  B: -2562.0

CLASS: AQUA 
FEOpp + aORA1 = FEppp + aCO2H + OHm
TEMP3:  A: 160.0 B: -2680.0

CLASS: AQUA 
FEOpp + HCOOm = FEppp + aCO2H + 2 OHm - [aH2O]
TEMP3:  A: 3e5  B: 0.0

CLASS: AQUA 
FEOpp + aETOH =  FEppp + aCH3CHOH + OHm
TEMP3:  A:  2.5e3 B: 0.0

CLASS: AQUA 
FEOpp + aCH2OH2 =  FEppp + OHm + aCHOH2
TEMP3:  A: 400.0 B: -5352.0

CLASS: AQUA 
FEOpp + NO2m  =  FEppp + aNO2 + 2 OHm - [aH2O]
TEMP3:  A: 1e5 B: 0.0

CLASS: AQUA 
FEOpp +  FEpp =  2 FEppp + 2 OHm
TEMP3:   A:   7.2e4  B: -842.0                      

CLASS: AQUA 
FEOpp + FEpp = FEOH2FEpppp
TEMP3:  A: 1.8e4 B: -5052.0

CLASS: AQUA 
FEOH2FEpppp = 2 FEppp + 2 OHm
TEMP3:  A: 0.49 B: -8780.0

CLASS: AQUA 
FEOH2FEpppp  + Hp = 2 FEppp + OHm + [aH2O]
TEMP3:  A: 1.95 B: -5653.0

CLASS: AQUA 
MNOpp +  MNpp = MNppp +  MNppp + 2 OHm - [aH2O]
TEMP3:  A: 1e5  B: 0.0

CLASS: AQUA 
MNpp + aO3 = MNOpp + aO2
TEMP3:  A: 1.65e3  B: 0.0

CLASS: AQUA 
CUp + aO3 = CUpp + aHO + aO2 + OHm + [aH2O]
TEMP3:  A: 3e7  B: 0.0

CLASS: AQUA 
aN2O5 = NO2p + NO3m
TEMP3:  A: 1e9  B: 0.0
                         
CLASS: AQUA 
NO2p + [aH2O] =  NO3m + 2 Hp 
TEMP3:   A:  8.9e7 B: 0.0 

CLASS: AQUA 
aNO3  + OHm  = NO3m  + aHO              
TEMP3:   A: 9.4e7  B: -2700.0 

CLASS: AQUA 
aNO3  +  FEpp = NO3m  + FEppp              
TEMP3:   A: 8.8e6  B: 0.0 

CLASS: AQUA 
aNO3  +  MNpp = NO3m  +  MNppp            
TEMP3:   A: 1.1e6  B: 0.0 

CLASS: AQUA 
aNO3  + aH2O2  = NO3m  + Hp + aHO2           
TEMP3:   A: 4.9e6  B: -2000.0 

CLASS: AQUA 
aNO3  + aOP1  = NO3m  + Hp + aMO2           
TEMP3:   A: 4.9e6  B: -2000.0 

CLASS: AQUA 
aNO3  + aHO2  = NO3m  + Hp + aO2           
TEMP3:   A: 3.0e9  B: 0.0 

CLASS: AQUA 
aNO3  + O2m  = NO3m + aO2           
TEMP3:   A: 3.0e9  B: 0.0 

CLASS: AQUA 
aNO3  + HSO3m  = NO3m  + Hp + SO3m           
TEMP3:   A: 1.3e9  B: -2000.0 

CLASS: AQUA 
aNO3  + SO3mm  = NO3m + SO3m           
TEMP3:   A: 3.0e8  B: 0.0 

CLASS: AQUA 
aNO3  + HSO4m  = NO3m  + Hp + SO4m           
TEMP3:   A:  2.6e5  B: 0.0 

CLASS: AQUA 
aNO3  + SO4mm  = NO3m + SO4m           
TEMP3:   A:  1e5  B: 0.0 
 
CLASS: AQUA 
aNO2  + aHO  =  aHOONO             
TEMP3:   A: 1.2e10  B: 0.0 

CLASS: AQUA 
aNO2 + O2m = NO2m + aO2
TEMP3:  A: 1e8  B: 0.0

CLASS: AQUA 
aNO2  + aNO2 = aHONO  + NO3m + Hp      
TEMP3:   A:  8.4e7  B: 2900.0 

CLASS: AQUA 
NO4m = NO2m + aO2
TEMP3:   A: 4.5e-2  B: 0.0        

CLASS: AQUA 
NO2m  + aHO  = aNO2  + OHm              
TEMP3:   A: 9.1e9  B:  0.0

CLASS: AQUA 
NO2m  + SO4m  = aNO2  + SO4mm              
TEMP3:   A: 7.2e8  B:  0.0

CLASS: AQUA 
NO2m  + aNO3  = aNO2  + NO3m             
TEMP3:   A: 1.4e9  B:  0.0

CLASS: AQUA 
NO2m  + CL2m  = 2 CLm + aNO2              
TEMP3:   A: 6.0e7  B:  0.0

CLASS: AQUA 
NO2m  + BR2m  = 2 BRm + aNO2              
TEMP3:   A: 1.2e7  B:  -1720.0

CLASS: AQUA 
NO2m  + CO3m  = CO3mm + aNO2              
TEMP3:   A: 6.6e5  B:  -850.0

CLASS: AQUA 
NO2m  + aO3  = NO3m  + aO2              
TEMP3:   A: 5.0e5  B:  -6900.0

CLASS: AQUA 
aHONO  + aHO  = aNO2  + [aH2O]           
TEMP3:   A: 1.1e10  B:  0.0

CLASS: AQUA 
aHNO4  + HSO3m  = HSO4m  + Hp + NO3m           
TEMP3:   A: 3.3e5  B:  0.0

CLASS: AQUA 
NO2p + CLm = aCLNO2
TEMP3:  A: 1e10 B: 0.0

CLASS: AQUA 
NO2p + BRm = aBRNO2
TEMP3:  A: 1e10 B: 0.0

CLASS: AQUA 
aCLNO2 + BRm = NO2m + aBRCL
TEMP3:  A: 5e6  B: 0.0

CLASS: AQUA 
aBRNO2 + BRm = aBR2 + NO2m
TEMP3:  A: 2.55e4  B: 0.0

CLASS: AQUA 
aBRNO2 + CLm = NO2m + aBRCL
TEMP3:  A: 10.0 B: 0.0

CLASS: AQUA 
HMSm +  aHO    = CHOHSO3m + [aH2O]
TEMP3:   A: 3.0e8  B: 0.0

CLASS: AQUA 
HMSm + SO4m     = aOHCH2SO3 + SO4mm
TEMP3:   A: 1.3e6  B: 0.0

CLASS: AQUA 
HMSm + aNO3     = aOHCH2SO3  + NO3m
TEMP3:   A: 4.2e6  B: 0.0

CLASS: AQUA 
HMSm + CL2m     = 2 CLm  + aOHCH2SO3
TEMP3:   A: 5.0e5  B: 0.0

CLASS: AQUA 
HMSm + BR2m     = 2 BRm  + aOHCH2SO3
TEMP3:   A: 5.0e4  B: 0.0

CLASS: AQUA 
aOHCH2SO3 = aSO3 + aCH2OH
TEMP3:  A: 1e5 B: 0.0

CLASS: AQUA 
aSO3 + [aH2O] = SO4mm + 2 Hp 
TEMP3:  A: 1e10 B: 0.0

CLASS: AQUA 
CHOHSO3m + aO2 = O2CHOHSO3m
TEMP3:   A:  2.6e9  B: 0.0  

CLASS: AQUA 
O2CHOHSO3m = aHO2 + CHOSO3m
TEMP3:   A:   1.7e4  B: 0.0
                                  
CLASS: AQUA 
CHOSO3m + [aH2O] = HSO3m + aORA1
TEMP3:  A: 1.26e-2 B: 0.0
 
CLASS: AQUA 
O2CHOHSO3m = aO2CHO + HSO3m
TEMP3:   A:   7.0e3  B: 0.0
                                  
CLASS: AQUA 
aO2CHO + [aH2O] = aORA1 + aHO2
TEMP3:   A:   44.32 B: 0.0
                           
CLASS: AQUA 
CHOSO3mm + aO2 = CHOSO3m + O2m
TEMP3:   A: 1.6e9  B: 0.0
 
CLASS: AQUA 
HSO3m  + aH2O2 +  Hp = SO4mm  + 2 Hp  + [aH2O]
TEMP3:   A: 7.2e7  B: -4000.0 

CLASS: AQUA 
HSO3m  + aOP1 + Hp  = SO4mm  + aCH3OH + 2 Hp 
TEMP3:   A: 1.7e7  B: -3800.0 

CLASS: AQUA 
HSO3m  + aPAA + Hp = SO4mm   + 2 Hp + aCH3COOH
TEMP3:   A:  5.6e7 B: -3990.0 

CLASS: AQUA 
aSO2  + aO3  = HSO4m   + aO2  + Hp - [aH2O]
TEMP3:   A: 2.4e4 B: 0.0

CLASS: AQUA 
HSO3m  + aO3  = SO4mm  + Hp  + aO2 
TEMP3:   A: 3.7e5 B: -5530.0

CLASS: AQUA 
SO3mm  + aO3  = SO4mm  + aO2  
TEMP3:   A: 1.5e9 B: -5280.0

CLASS: AQUA 
HSO3m + FEOHpp = SO3m +  FEpp + [aH2O]
TEMP3:   A: 3.0e1  B: 0.0 

CLASS: AQUA 
SO5m +  FEpp = HSO5m + FEOHpp 
TEMP3:   A: 2.65e7  B: -5809.0 

CLASS: AQUA 
HSO5m +  FEpp = SO4m + FEOHpp
TEMP3:   A: 3.0e4  B: 0.0 

CLASS: AQUA 
HSO5m + MNpp = SO4m + MNppp + OHm
TEMP3:  A: 3e4  B: 0.0

CLASS: AQUA 
SO5m +  MNpp =  MNppp + HSO5m + OHm
TEMP3:   A: 1e10  B: 0.0 

CLASS: AQUA 
FEpp + SO4m = FEOHpp  + SO4mm + Hp 
TEMP3:   A: 4.6e9  B: 2165.0 

CLASS: AQUA 
FEpp + S2O8mm  =  FEppp + SO4mm + SO4m
TEMP3:   A: 1.7e1  B: 0.0 

CLASS: AQUA 
SO5m + SO5m = S2O8mm + aO2
TEMP3:   A:  4.8e7 B:  -2600.0

CLASS: AQUA 
SO5m + SO5m = SO4m + SO4m + aO2
TEMP3:   A: 2.2e8  B: -2600.0 

CLASS: AQUA 
SO5m + aHO2 = SO5O2Hm
TEMP3:   A: 1.7e9  B: 0.0 

CLASS: AQUA 
SO5m + O2m  = HSO5m  + aO2 + OHm - [aH2O]
TEMP3:  A: 2.34e8  B: 0.0

CLASS: AQUA 
SO5O2Hm + HSO3m = 2 SO4mm + 2 Hp 
TEMP3:   A:  3e5  B: 0.0
                            
CLASS: AQUA 
SO5O2mm + HSO3m = 2 SO4mm + Hp
TEMP3:   A:   5.2e6  B: 0.0             

CLASS: AQUA 
SO5O2mm  = HSO5m + aO2 + OHm - [aH2O]
TEMP3:   A:   1.2e3  B: 0.0

CLASS: AQUA 
SO3m + aO2 = SO5m
TEMP3:  A: 2.5e9   B: 0.0

CLASS: AQUA 
SO5m + HSO3m = HSO5m + SO3m
TEMP3:   A: 8.6e3  B: 0.0 

CLASS: AQUA 
SO5m + HSO3m = SO4mm + SO4m + Hp
TEMP3:   A: 3.6e2  B: 0.0 

CLASS: AQUA 
SO5m + SO3mm = HSO5m + SO3m + OHm - [aH2O]
TEMP3:   A: 2.13e5  B: 0.0 

CLASS: AQUA 
SO5m + SO3mm = SO4m + SO4mm
TEMP3:   A: 5.5e5  B: 0.0 

CLASS: AQUA 
aHO + HSO4m = SO4m + [aH2O]
TEMP3:   A: 3.5e5  B: 0.0 

CLASS: AQUA 
SO4m + SO4m = S2O8mm
TEMP3:   A:  6.1e8  B: -840.0 

CLASS: AQUA 
SO4m + HSO3m = SO4mm +  SO3m + Hp
TEMP3:   A: 5.8e8  B: 0.0 

CLASS: AQUA 
SO4m + SO3mm = SO4mm +  SO3m 
TEMP3:   A: 3.4e8  B: -1200.0 

CLASS: AQUA 
SO4m +  MNpp = SO4mm + MNppp
TEMP3:   A:  1.4e7  B: -4089.0 

CLASS: AQUA 
SO4m + CUp = SO4mm + CUpp
TEMP3:   A: 3.0e8  B: 0.0 

CLASS: AQUA 
SO4m + aH2O2 = SO4mm + Hp + aHO2
TEMP3:   A: 1.7e7  B: 0.0 

CLASS: AQUA 
SO4m + aOP1 = SO4mm + Hp + aMO2
TEMP3:   A: 1.7e7  B: 0.0 

CLASS: AQUA 
SO4m + aHO2 = SO4mm + Hp + aO2
TEMP3:   A: 3.5e9  B: 0.0 

CLASS: AQUA 
SO4m + O2m = SO4mm + aO2
TEMP3:   A: 3.5e9  B: 0.0 

CLASS: AQUA 
SO4m + NO3m = SO4mm + aNO3
TEMP3:   A: 5.0e4  B: 0.0 

CLASS: AQUA 
SO4m + OHm = SO4mm + aHO
TEMP3:   A: 1.4e7  B: 0.0 

CLASS: AQUA 
SO4m + [aH2O] = SO4mm + aHO + Hp
TEMP3:   A: 11.0  B:  -1110.0

CLASS: AQUA 
HSO5m + HSO3m + Hp = 2 SO4mm + 3 Hp
TEMP3:   A: 7.14e6  B: 0.0 

CLASS: AQUA 
HSO5m + SO3mm + Hp = 2 SO4mm + 2 Hp
TEMP3:   A: 7.14e6  B: 0.0 

CLASS: AQUA 
HSO5m + aHO = SO5m + [aH2O] 
TEMP3:   A: 1.7e7  B: 0.0 

CLASS: AQUA 
aHO + SO4m = HSO5m
TEMP3:   A:  1.0e10  B: 0.0
                      
CLASS: AQUA 
MNHSO3p + MNppp = 2  MNpp + SO3m + Hp
TEMP3:   A: 1.3e6  B: 0.0

CLASS: AQUA 
aCH3OH + aHO = aCH2OH + [aH2O]
TEMP3:   A: 1.0e9  B: -580.0 

CLASS: AQUA 
aCH3OH + SO4m = SO4mm + Hp + aCH2OH
TEMP3:   A: 9.0e6  B: -2190.0 

CLASS: AQUA 
aCH3OH + aNO3 = NO3m + Hp  + aCH2OH
TEMP3:   A: 5.4e5  B: -4300.0 

CLASS: AQUA 
aCH3OH + CL2m = 2 CLm + Hp + aCH2OH
TEMP3:   A: 5.1e4 B: -5500 

CLASS: AQUA 
aCH3OH + BR2m = 2 BRm + Hp + aCH2OH
TEMP3:   A:  1e3 B: 0.0 

CLASS: AQUA 
aCH3OH + CO3m = CO3mm + Hp + aCH2OH
TEMP3:   A: 2.6e3  B: 0.0 

CLASS: AQUA 
aCH2OH + aO2 = aO2CH2OH
TEMP3:  A: 2e9  B: 0.0

CLASS: AQUA 
aO2CH2OH + OHm = aHCHO + O2m + [aH2O]
TEMP3:  A: 1.65e10 B: 0.0

CLASS: AQUA 
aO2CH2OH + aO2CH2OH = aCH3OH + 2 aO2 + aHCHO
TEMP3:  A: 1.05e9 B: 0.0 
 
CLASS: AQUA 
aETOH + aHO = aCH3CHOH + [aH2O]
TEMP3:   A: 2.1e9  B: -1200 

CLASS: AQUA 
aETOH + SO4m = SO4mm + Hp + aCH3CHOH
TEMP3:   A: 4.1e7  B: -1760.0 

CLASS: AQUA 
aETOH + aNO3 = NO3m + Hp + aCH3CHOH
TEMP3:   A: 2.2e6  B: -3300.0 

CLASS: AQUA 
aETOH + CL2m = 2 CLm + Hp + aCH3CHOH
TEMP3:   A: 1.2e5  B: 0.0 

CLASS: AQUA 
aETOH + BR2m = 2 BRm + Hp + aCH3CHOH
TEMP3:   A: 3.8e3  B: 0.0 

CLASS: AQUA 
aETOH + CO3m = CO3mm + Hp + aCH3CHOH
TEMP3:   A: 1.5e4  B: 0.0 

CLASS: AQUA 
aCH3CHOH + aO2 = aO2CH3CHOH
TEMP3:  A: 4.6e9   B: 0.0

CLASS: AQUA 
aO2CH3CHOH = aCH3CHO + aHO2
TEMP3:  A: 52.0 B: -7217.0

CLASS: AQUA 
aO2CH3CHOH  +  OHm = aCH3CHO + O2m + [aH2O]
TEMP3:  A: 8e9  B: 0.0

CLASS: AQUA 
aCH2OH2 + aHO = aCHOH2 + [aH2O]
TEMP3:   A: 1.0e9  B: -1020.0 

CLASS: AQUA 
aCH2OH2 + SO4m = SO4mm + Hp + aCHOH2
TEMP3:   A: 1.4e7  B: -1300.0 

CLASS: AQUA 
aCH2OH2 + aNO3 = NO3m + Hp + aCHOH2
TEMP3:   A: 1.0e6  B: -4500.0 

CLASS: AQUA 
aCH2OH2 + CL2m = 2 CLm + Hp + aCHOH2
TEMP3:   A: 3.6e4  B: -4330.0 

CLASS: AQUA 
aCH2OH2 + BR2m = 2 BRm + Hp + aCHOH2
TEMP3:   A: 3.0e3  B: 0.0 

CLASS: AQUA 
aCH2OH2 + CO3m = CO3mm + Hp + aCHOH2
TEMP3:   A: 1.3e4  B: 0.0 

CLASS: AQUA 
aCHOH2 + aO2 = aHO2 + aORA1
TEMP3:  A: 2e9 B: 0.0

CLASS: AQUA 
aCH3CHOH2 + aHO = aCH3COH2 + [aH2O]
TEMP3:   A: 1.2e9   B: 0.0 

CLASS: AQUA 
aCH3CHO + aHO = aCH3CO + [aH2O]
TEMP3:   A: 3.6e9   B: 0.0 

CLASS: AQUA 
aCH3CHOH2 + SO4m = SO4mm + Hp + aCH3COH2
TEMP3:   A: 2.0e7   B: 0.0 

CLASS: AQUA 
aCH3CHO + SO4m = SO4mm + Hp + aCH3CO
TEMP3:  A: 2e7 B: 0.0

CLASS: AQUA 
aCH3CHOH2 + aNO3 = NO3m + Hp + aCH3COH2
TEMP3:   A: 1.9e6   B: 0.0 

CLASS: AQUA 
aCH3CHO + aNO3 = NO3m + Hp + aCH3CO
TEMP3:   A: 1.9e6   B: 0.0                   

CLASS: AQUA 
aCH3CHOH2 + CL2m = 2 CLm + Hp + aCH3COH2
TEMP3:   A: 4.0e4  B: 0.0 

CLASS: AQUA 
aCH3CHO + CL2m = 2 CLm + Hp + aCH3CO
TEMP3:   A: 4.0e4  B: 0.0    

CLASS: AQUA 
aCH3CHOH2 + BR2m = 2 BRm + Hp + aCH3COH2
TEMP3:   A: 4.0e3  B: 0.0 

CLASS: AQUA 
aCH3CHO + BR2m = 2 BRm + Hp + aCH3CO
TEMP3:   A: 4.0e3  B: 0.0     

CLASS: AQUA 
aCH3CHOH2 + CO3m = CO3mm + Hp + aCH3COH2
TEMP3:   A: 1.0e4  B: 0.0 

CLASS: AQUA 
aCH3CHO + CO3m = CO3mm + Hp + aCH3CO
TEMP3:   A: 1.0e4  B: 0.0     

CLASS: AQUA 
aORA1 + aHO = aCO2H + [aH2O]
TEMP3:  A: 1.3e8   B: -1000.0

CLASS: AQUA 
HCOOm + aHO = aCO2H + OHm  
TEMP3:   A: 3.2e9  B: -1000.0 

CLASS: AQUA 
aORA1 + SO4m = SO4mm + Hp + aCO2H
TEMP3:   A: 2.5e6  B: 0.0 

CLASS: AQUA 
HCOOm + SO4m = SO4mm + aCO2H
TEMP3:   A: 2.1e7  B: 0.0 

CLASS: AQUA 
aORA1 + aNO3 = NO3m + aCO2H + Hp
TEMP3:   A: 3.8e5  B: -3400.0 

CLASS: AQUA 
HCOOm + aNO3 = NO3m + aCO2H
TEMP3:   A: 5.1e7  B: -2200.0 

CLASS: AQUA 
aORA1 + CL2m = 2 CLm + Hp + aCO2H
TEMP3:   A:  8e4 B: -4450.0 

CLASS: AQUA 
HCOOm + CL2m = 2 CLm + aCO2H
TEMP3:   A: 1.3e6  B: 0.0 

CLASS: AQUA 
aORA1 + BR2m = 2 BRm + Hp + aCO2H
TEMP3:   A: 4.0e3  B: 0.0 

CLASS: AQUA 
HCOOm + BR2m = 2 BRm + aCO2H
TEMP3:   A: 4.9e3  B: 0.0 

CLASS: AQUA 
HCOOm + CO3m =  CO3mm + aCO2H
TEMP3:   A: 1.4e5  B: -3300.0 

CLASS: AQUA 
aCO2H + aO2 = aCO2 + aHO2
TEMP3:  A: 2e9  B: 0.0

CLASS: AQUA 
aCH3COOH + aHO  = aCH2COOH + [aH2O] 
TEMP3:   A: 1.5e7  B: -1330.0 

CLASS: AQUA 
MCOOm + aHO  = CH2COOm + [aH2O] 
TEMP3:   A: 1.0e8  B: -1800.0 

CLASS: AQUA 
aCH3COOH + SO4m  = SO4mm + Hp + aCH2COOH
TEMP3:   A: 2.0e5  B: 0.0 

CLASS: AQUA 
MCOOm + SO4m  = SO4mm + aCH3 + aCO2
TEMP3:   A: 2.8e7  B: -1210.0 

CLASS: AQUA 
aCH3COOH + aNO3 = aCH2COOH  + NO3m  + Hp
TEMP3:   A: 1.4e4  B: -3800.0 

CLASS: AQUA 
MCOOm + aNO3 = NO3m + aCH3 + aCO2
TEMP3:   A: 2.9e6  B: -3800.0 

CLASS: AQUA 
aCH3COOH + CL2m = 2 CLm + Hp + aCH2COOH 
TEMP3:   A: 1.5e3  B: -4930.0 

CLASS: AQUA 
MCOOm + CL2m = 2 CLm + aCH3 + aCO2 
TEMP3:   A: 2.6e5  B: -4800.0 
 
CLASS: AQUA 
aCH3COOH + BR2m = 2 BRm + Hp + aCH2COOH 
TEMP3:   A: 10.0  B: 0.0 

CLASS: AQUA 
MCOOm + BR2m = 2 BRm + aCH3 + aCO2 
TEMP3:   A: 100.0  B: 0.0 

CLASS: AQUA 
MCOOm + CO3m = CO3mm + aCH3 + aCO2
TEMP3:   A: 580.0  B: 0.0 

CLASS: AQUA 
aCH2COOH + aO2 = aO2CH2COOH
TEMP3:  A: 1.7e9  B: 0.0

CLASS: AQUA 
aCH3 + aO2 = aMO2
TEMP3:  A: 4.1e9  B: 0.0

CLASS: AQUA 
aMO2 + aMO2 = aCH3OH + aHCHO + aO2
TEMP3:   A:  7.4e7 B: -2200.0 

CLASS: AQUA 
aMO2 + aMO2 = aCH3O + aCH3O + aO2
TEMP3:   A:  3.6e7 B: -2200.0                  

CLASS: AQUA 
aACO3 + aACO3 = aMO2 + aMO2 + aCO2 + aCO2 - aO2
TEMP3:  A: 1.5e8  B: 0.0

CLASS: AQUA 
aMO2 + HSO3m = aOP1 + SO3m
TEMP3:   A: 5.0e5  B: 0.0 

CLASS: AQUA 
aETHPX + aETHPX = aCH3CH2O + aCH3CH2O + aO2
TEMP3:   A: 1.0e8  B:  750.0

CLASS: AQUA 
aETHPX + aETHPX = aETOH + aCH3CHO + aO2
TEMP3:   A:  6e7 B:  750.0               

CLASS: AQUA 
aCH3CH2O + aO2 = aHO2 + aCH3CHO
TEMP3:  A: 6e6 B: 0.0

CLASS: AQUA 
aCH3CH2O = aCH3CHOH
TEMP3:  A: 1e6 B: 0.0

CLASS: AQUA 
FEpp + aMO2 = FEMO2pp
TEMP3:   A: 8.6e5  B: 0.0

CLASS: AQUA 
FEMO2pp  + Hp =  FEppp + aOP1
TEMP3:   A: 3e4  B: 0.0

CLASS: AQUA 
FEMO2pp =  FEppp + aOP1 + OHm
TEMP3:   A: 100.0  B: 0.0    

CLASS: AQUA 
aHO + HC2O4m = C2O4m + [aH2O]
TEMP3:   A: 1.9e8   B: -2800

CLASS: AQUA 
aNO3 + HC2O4m =  NO3m + Hp + C2O4m
TEMP3:   A: 6.8e7   B: 0.0           

CLASS: AQUA 
CL2m + HC2O4m =  Hp + 2 CLm + C2O4m
TEMP3:   A:  1.3e6  B: 0.0           

CLASS: AQUA 
BR2m + HC2O4m =  Hp + 2 BRm + C2O4m
TEMP3:   A:   3.7e3  B: 0.0      

CLASS: AQUA 
SO4m + HC2O4m =  Hp +  SO4mm + C2O4m
TEMP3:   A:   3.35e5  B: 0.0   
 
CLASS: AQUA 
SO5m + HC2O4m = HSO5m + C2O4m
TEMP3:  A: 5e3  B: 0.0
 
CLASS: AQUA 
aHO + C2O4mm = OHm + C2O4m
TEMP3:   A:   1.6e8  B: -4300

CLASS: AQUA 
aNO3 + C2O4mm = NO3m + C2O4m
TEMP3:  A:  2.2e8 B: 0.0  

CLASS: AQUA 
CL2m + C2O4mm =   2 CLm + C2O4m
TEMP3:  A: 4e6  B: 0.0
      
CLASS: AQUA 
BR2m + C2O4mm =   2 BRm + C2O4m
TEMP3:  A:  1.1e4  B: 0.0
                         
CLASS: AQUA 
SO4m + C2O4mm =   SO4mm + C2O4m
TEMP3:  A: 1.05e6  B: 0.0

CLASS: AQUA 
SO5m + C2O4mm = HSO5m  + C2O4m + OHm - [aH2O]
TEMP3:  A. 1e4  B: 0.0

CLASS: AQUA 
C2O4m + aO2 = aCO2 + O2m + aCO2
TEMP3:   A: 2e9   B: 0.0

CLASS: AQUA 
aHO + aCHOH2CHOH2 = aCOH2CHOH2 + [aH2O]
TEMP3:  A:  1.1e9 B: -1516.0

CLASS: AQUA 
aNO3  + aCHOH2CHOH2  = Hp + NO3m + aCOH2CHOH2
TEMP3:  A:  1.1e6  B: -3368.0      

CLASS: AQUA 
CL2m +  aCHOH2CHOH2 = Hp + 2 CLm + aCOH2CHOH2
TEMP3:  A:  4e4  B: 0.0      

CLASS: AQUA 
BR2m +  aCHOH2CHOH2 = Hp + 2 BRm + aCOH2CHOH2
TEMP3:  A:  500.0  B: 0.0      

CLASS: AQUA 
SO4m +  aCHOH2CHOH2 = Hp + SO4mm + aCOH2CHOH2
TEMP3:  A:  2.35e7 B: -1395.0      

CLASS: AQUA 
SO5m + aCHOH2CHOH2 = HSO5m + aCOH2CHOH2
TEMP3:  A: 5e5  B: 0.0

CLASS: AQUA 
aCOH2CHOH2 + aO2 = aO2COH2CHOH2
TEMP3:  A: 1.38e9  B: 0.0

CLASS: AQUA 
aO2COH2CHOH2 = aHO2 + aCHOH2COOH
TEMP3:  A:  1e+7  B: 0.0

CLASS: AQUA 
aHO + aCHOH2COOH  =  aCOH2COOH + [aH2O]
TEMP3:  A:  3.6e8 B: -1000.0

CLASS: AQUA 
aNO3  + aCHOH2COOH  = Hp + NO3m + aCOH2COOH
TEMP3:  A:  1.1e6  B: -3368.0       

CLASS: AQUA 
CL2m +  aCHOH2COOH = Hp + 2 CLm + aCOH2COOH
TEMP3:  A:  4e4  B: 0.0

CLASS: AQUA 
BR2m +  aCHOH2COOH = Hp + 2 BRm + aCOH2COOH
TEMP3:  A:  500.0  B: 0.0

CLASS: AQUA 
SO4m +  aCHOH2COOH = Hp + SO4mm + aCOH2COOH
TEMP3:  A:  2.35e7 B: -1395.0

CLASS: AQUA 
aCOH2COOH + aO2 = aO2COH2COOH
TEMP3:  A: 2e9  B: 0.0

CLASS: AQUA 
aO2COH2COOH  = aHO2 + aH2C2O4
TEMP3:  A:  2e9 B: 0.0       

CLASS: AQUA 
aCH3CO + aO2 = aACO3
TEMP3:  A: 2e9  B: 0.0

CLASS: AQUA 
aACO3 + O2m = PAAm + aO2
TEMP3:  A: 1e9  B: 0.0

CLASS: AQUA 
aCH3COH2 + aO2 = aCH3COH2O2
TEMP3:  A: 2e9 B: 0.0

CLASS: AQUA 
aCH3COH2O2 = 2 Hp + MCOOm + O2m
TEMP3:  A: 1e5 B: 0.0

CLASS: AQUA 
aCH3O + aO2 = aHCHO + aHO2
TEMP3:  A:  1.2e6 B: 0.0

CLASS:  AQUA 
aCH3O = aCH2OH
TEMP3:  A: 1e6 B: 0.0

CLASS: AQUA 
CH2COOm + aO2 = O2CH2COOm
TEMP3:  A: 2e9  B: 0.0

CLASS: AQUA 
O2CH2COOm + O2CH2COOm = 2 CHOH2COOm + aH2O2 
TEMP3:  A: 2e7 B: 0.0

CLASS: AQUA 
O2CH2COOm + O2CH2COOm = 2 aHCHO + aH2O2 + 2 OHm + 2 aCO2
TEMP3:  A: 1.88e7  B: 0.0        

CLASS: AQUA 
O2CH2COOm + O2CH2COOm = CHOH2COOm + CH2OHCOOm + aO2 
TEMP3:  A: 1.88e7  B: 0.0      

CLASS: AQUA 
O2CH2COOm + O2CH2COOm = 2 CHOH2COOm + 2 O2m + 2 Hp - aO2 - 2 [aH2O]
TEMP3:  A: 7.5e6  B: 0.0       

CLASS: AQUA 
CO2m + aO2 = aCO2 + O2m
TEMP3:  A: 4e9  B: 0.0

CLASS: AQUA 
CL2m + CL2m = aCL2 + 2 CLm
TEMP3:   A: 8.7e8  B: 0.0     

CLASS: AQUA 
CL2m +  FEpp = 2 CLm + FEppp
TEMP3:   A: 1.0e7  B: -3030.0 

CLASS: AQUA 
CL2m + FEpp = FECLpp + CLm
TEMP3:  A: 4e6  B: -3490.0

CLASS: AQUA 
CL2m +  MNpp = MNCL2p
TEMP3:   A:  2e7 B: -4090.0    

CLASS: AQUA 
MNCL2p = MNpp + CL2m
TEMP3:  A: 3e5  B: 0.0

CLASS: AQUA 
MNCL2p = MNppp + CLm + CLm
TEMP3:  A: 2.1e5  B: 0.0

CLASS: AQUA 
CL2m + CUp = 2 CLm + CUpp
TEMP3:   A: 1.0e8  B: 0.0  

CLASS: AQUA 
CL2m + aH2O2 = 2 CLm + Hp + aHO2
TEMP3:   A:  5e4 B: -3340.0    

CLASS: AQUA 
CL2m + aOP1 = 2 CLm + aMO2 + Hp
TEMP3:   A:  5e4  B: -3340.0   

CLASS: AQUA 
CL2m + OHm = 2 CLm + aHO
TEMP3:   A: 4.0e6  B: 0.0  

CLASS: AQUA 
CL2m + aHO2 = 2 CLm + Hp + aO2
TEMP3:   A: 1.3e10  B: 0.0   

CLASS: AQUA 
CL2m + O2m = 2 CLm + aO2
TEMP3:   A: 6.0e9  B: 0.0   

CLASS: AQUA 
CL2m + HSO3m = 2 CLm + Hp + SO3m
TEMP3:   A: 1.7e8  B: -400.0  

CLASS: AQUA 
CL2m + SO3mm = 2 CLm + SO3m
TEMP3:   A: 6.2e7  B: 0.0    

CLASS: AQUA 
aCL2 + [aH2O] = Hp + CLm + aHOCL
TEMP3:   A: 0.4  B: -7900.0  

CLASS: AQUA 
CL2m + [aH2O] = Hp + CLm + CLm + aHO
TEMP3:  A: 23.4  B: 0.0

CLASS: AQUA 
BRm + SO4m = SO4mm + aBR
TEMP3:   A: 2.1e9  B: 0.0 

CLASS: AQUA 
BRm + aNO3 = NO3m + aBR
TEMP3:   A: 3.8e9  B: 0.0  

CLASS: AQUA 
BR2m + BR2m = aBR2 + 2 BRm
TEMP3:   A: 1.7e9  B: 0.0 
  
CLASS: AQUA 
BR2m +  FEpp = 2 BRm + FEppp
TEMP3:   A: 3.6e6  B: -3330.0 
  
CLASS: AQUA 
BR2m +  MNpp = MNBR2p
TEMP3:   A: 6.3e6  B: -4330.0 
 
CLASS: AQUA 
MNBR2p = MNpp + BR2m
TEMP3:  A: 3e5  B: 0.0

CLASS: AQUA 
MNBR2p = MNppp + BRm + BRm 
TEMP3:  A: 2.2e5  B: 0.0

CLASS: AQUA 
BR2m +  CUp = 2 BRm + CUpp
TEMP3:   A: 3.6e6  B: 0.0 
  
CLASS: AQUA 
BR2m + aH2O2 = 2 BRm + Hp + aHO2
TEMP3:   A: 1.0e5  B: 0.0    
  
CLASS: AQUA 
BR2m + aOP1 = 2 BRm + Hp + aMO2
TEMP3:   A: 1.0e5  B: 0.0  
  
CLASS: AQUA 
BR2m + OHm = 2 BRm + aHO
TEMP3:   A: 1.1e4  B: 0.0 
  
CLASS: AQUA 
BR2m + aHO2 = 2 BRm + aO2 + Hp
TEMP3:   A: 6.5e9  B: 0.0     
  
CLASS: AQUA 
BR2m + O2m = 2 BRm + aO2
TEMP3:   A: 1.7e8  B: 0.0  
  
CLASS: AQUA 
BR2m + HSO3m = 2 BRm + Hp + SO3m
TEMP3:   A: 5.0e7  B: -780.0 
  
CLASS: AQUA 
BR2m + SO3mm = 2 BRm + SO3m
TEMP3:   A: 3.3e7  B: -650.0 

CLASS: AQUA 
aBR2  + [aH2O] = Hp + BRm + aHOBR 
TEMP3:   A:  0.031  B: -7500.0  
 
CLASS: AQUA 
BROHm = aBR + OHm
TEMP3:  A: 4.2e6  B: 0.0
 
CLASS: AQUA 
HCO3m + aHO = CO3m + [aH2O] 
TEMP3:   A: 1.7e7  B: -1900.0     
  
CLASS: AQUA 
CO3mm + aHO = OHm + CO3m
TEMP3:   A:  3.9e8  B: -2840.0  
  
CLASS: AQUA 
HCO3m + SO4m = SO4mm + CO3m + Hp
TEMP3:   A: 2.8e6  B: -2090.0   
  
CLASS: AQUA 
CO3mm + SO4m = SO4mm + CO3m 
TEMP3:   A: 4.1e6  B: 0.0        
  
CLASS: AQUA 
CO3mm + aNO3 = NO3m + CO3m
TEMP3:   A:  4.1e7 B: 0.0     
 
CLASS: AQUA 
HCO3m + aNO3 = NO3m + CO3m + Hp
TEMP3:   A: 4.1e7  B: 0.0                 

CLASS: AQUA 
CO3mm + CL2m = 2 CLm + CO3m 
TEMP3:   A: 2.7e6  B: 0.0    
 
CLASS: AQUA 
HCO3m + CL2m = 2 CLm + CO3m + Hp
TEMP3:   A: 2.7e6  B: 0.0        
 
CLASS: AQUA 
HCO3m + BR2m = 2 BRm + CO3m + Hp
TEMP3:   A: 1.1e5  B: 0.0         
 
CLASS: AQUA 
CO3m + CO3m = 2 O2m + 2 aCO2 - aO2
TEMP3:   A: 2.2e6  B: 0.0 
  
CLASS: AQUA 
CO3m +  FEpp =  FEppp + CO3mm 
TEMP3:   A: 2.0e7  B: 0.0   
  
CLASS: AQUA 
CO3m +  MNpp =  MNppp + CO3mm 
TEMP3:   A: 1.5e7  B: 0.0 
  
CLASS: AQUA 
CO3m +  CUp =  CUpp + CO3mm 
TEMP3:   A: 2.0e7  B: 0.0  
  
CLASS: AQUA 
CO3m + aH2O2 = HCO3m + aHO2 
TEMP3:   A: 4.3e5  B: 0.0      
  
CLASS: AQUA 
CO3m + aOP1 = HCO3m + aMO2
TEMP3:   A: 4.3e5  B: 0.0   
  
CLASS: AQUA 
CO3m + aHO2 = HCO3m + aO2 
TEMP3:   A: 6.5e8  B: 0.0        
  
CLASS: AQUA 
CO3m + O2m = CO3mm + aO2 
TEMP3:   A: 6.5e8  B: 0.0        
  
CLASS: AQUA 
CO3m + HSO3m = HCO3m + SO3m 
TEMP3:   A: 1.0e7  B: 0.0    
  
CLASS: AQUA 
CO3m + SO3mm = CO3mm + SO3m 
TEMP3:   A:  5.0e6  B: -470.0        

CLASS: AQUA 
CO3m + aNO2 = aCO2 + NO3m
TEMP3:  A: 1e9  B: 0.0

CLASS: AQUA 
CO3m + aO3 = aCO2 + aO2 + O2m
TEMP3:  A: 1e5  B: 0.0

CLASS: AQUA 
aHO + aO3 = aO2 + aHO2
TEMP3:  A: 1e8 B: 0.0

COMMENT Irreversible reactions organic extension

COMMENT 1
CLASS: AQUA 
aHO + CHOH2COOm = [aH2O] + COH2COOm 
TEMP3:  A: 2.6e9  B: -4300

COMMENT  2
CLASS: AQUA
aNO3 + CHOH2COOm = COH2COOm + NO3m + Hp
TEMP3:  A: 1.8e5  B: 0.0

COMMENT 3
CLASS: AQUA 
COH2COOm + aO2 = O2COH2COOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 4
CLASS: AQUA 
O2COH2COOm + O2COH2COOm = 2 CO2m + 2 aCO2  + 2 aH2O2
TEMP3:  A: 2.0e7  B: 0.0

COMMENT 5
CLASS: AQUA 
O2COH2COOm + O2COH2COOm = 4 aCO2 + aH2O2 + 2 OHm
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 6
CLASS: AQUA 
O2COH2COOm + O2COH2COOm = 2 [aH2O] + 2 CO2m + 2 aCO2 + aO2
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 7
CLASS: AQUA 
O2COH2COOm + O2COH2COOm = 2 [aH2O] + CO2m + 3 aCO2 + O2m
TEMP3:  A: 7.5e6  B: 0.0

COMMENT Propanol oxidation
COMMENT 8
CLASS: AQUA 
aHO + aCH3CH2CH2OH = aC3H6OH + [aH2O]
TEMP3:  A: 3.2e9  B: -1000

COMMENT  9
aNO3 + aCH3CH2CH2OH = aC3H6OH + NO3m + Hp
TEMP3:  A: 3.2e6  B: 0.0

COMMENT 10
CLASS: AQUA 
aC3H6OH + aO2 = aO2C3H6OH
TEMP3:  A: 2e9  B: 0.0

COMMENT 11
CLASS: AQUA 
aO2C3H6OH + OHm = aC2H5CHO + [aH2O] + O2m
TEMP3:  A: 4e9  B: 0.0

COMMENT 12
CLASS: AQUA 
aO2C3H6OH  = aC2H5CHO +  aHO2
TEMP3:  A: 52  B: 0.0

COMMENT Propanal oxidation
COMMENT 13
CLASS: AQUA 
aHO + aC2H5CHO = aC2H5CO + [aH2O]
TEMP3:  A: 2.8e9  B: -1300

COMMENT  14
aNO3 + aC2H5CHO = aC2H5CO + NO3m + Hp
TEMP3:  A: 3.9e7  B: -505

COMMENT 15
CLASS: AQUA 
aC2H5CO + aO2 = aC2H5COO2
TEMP3:  A: 2e9  B: 0.0

COMMENT 16
CLASS: AQUA 
aC2H5COO2 + aC2H5COO2 = 2 aC2H5COO + aO2
TEMP3:  A: 1.5e8  B: 0.0

COMMENT 17
CLASS: AQUA
aC2H5COO = aC2H5 + aCO2
TEMP3:  A: 2.0e+9  B: 0.0

COMMENT 18
CLASS: AQUA
aC2H5 + aO2 = aETHPX
TEMP3:  A: 2.0e+9  B: 0.0

COMMENT Oxidation of Propanal (hydrated form)
COMMENT 19
CLASS: AQUA
aHO + aC2H5CHOH2 = aC2H5COH2 + [aH2O]
TEMP3:  A: 2.8e9  B: -1300

COMMENT 20
CLASS: AQUA
aNO3 + aC2H5CHOH2 =aC2H5COH2 + NO3m + Hp
TEMP3:  A: 3.9e7  B: -505

COMMENT 21
CLASS: AQUA
aC2H5COH2 + aO2 = aC2H5CO2OH2
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 22
CLASS: AQUA
aC2H5CO2OH2 = aHO2 + aCH3CH2COOH
TEMP3:  A: 1000.0  B: 0.0

COMMENT Oxidation of propanoic acid
COMMENT 23
CLASS: AQUA 
aHO + aCH3CH2COOH = aCH3CHCOOH + [aH2O]
TEMP3:  A: 3.2e8  B: -2300

COMMENT 24
CLASS: AQUA
aNO3 + aCH3CH2COOH = aCH3CHCOOH + NO3m + Hp
TEMP3:  A: 4.6e3  B: 0.0

COMMENT 25
CLASS: AQUA 
aCH3CHCOOH + aO2 = aCH3CHO2COOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 26
CLASS: AQUA 
aCH3CHO2COOH + aCH3CHO2COOH = 2 aCO2 + 2 aETHPX
TEMP3:  A: 1.5e8  B: 0.0

COMMENT Oxidation of propionate
COMMENT 27
CLASS: AQUA 
aHO + C2H5COOm = [aH2O] + CH3CHCOOm
TEMP3:  A: 7.2e8  B: -1800

COMMENT  28
CLASS: AQUA
aNO3 + C2H5COOm = CH3CHCOOm + NO3m + Hp
TEMP3:  A: 3.7e8  B: 0.0

COMMENT 29
CLASS: AQUA 
CH3CHCOOm + aO2 = CH3CHO2COOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 30
CLASS: AQUA 
CH3CHO2COOm + CH3CHO2COOm = CH3COCOOm + CH3COCOOm + aH2O2
TEMP3:  A: 2e7  B: 0.0

COMMENT 31
CLASS: AQUA 
CH3CHO2COOm + CH3CHO2COOm = CH3COCOOm +  CH3CHOHCOOm + aO2 
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 32
CLASS: AQUA 
CH3CHO2COOm + CH3CHO2COOm = 2 aCH3CHO + 2 aCO2 + aH2O2 + 2 OHm - 2 [aH2O]
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 33
CLASS: AQUA 
CH3CHO2COOm + CH3CHO2COOm = 2 CH3COCOOm + 2 [aH2O] + 2 O2m  -2.0 OHm - aO2
TEMP3:  A: 7.5e6  B: 0.0

COMMENT  Oxidation of 2-Propanol
COMMENT 34
CLASS: AQUA 
aHO + aCH3CHOHCH3 = [aH2O] + aCH3COHCH3
TEMP3:  A: 2.4e9  B: -600

COMMENT  35
CLASS: AQUA
aNO3 + aCH3CHOHCH3 = aCH3COHCH3 + NO3m + Hp
TEMP3:  A: 3.7e6  B: 0.0

COMMENT 36
CLASS: AQUA 
aCH3COHCH3 + aO2 = aCH3CO2OHCH3
TEMP3:  A: 1.6e9  B: 0.0 

COMMENT 37
CLASS: AQUA 
aCH3CO2OHCH3 = aHO2 + aCH3COCH3
TEMP3:  A: 665  B: 0.0

COMMENT Acetone oxidation

COMMENT 38
CLASS: AQUA
aHO + aCH3COCH3 = aCH3COCH2 + [aH2O]
TEMP3:  A: 1.7e8  B: -1788

COMMENT 39
CLASS: AQUA
aNO3 + aCH3COCH3 = aCH3COCH2 + NO3m + Hp
TEMP3:  A: 4.4e3  B: -4332

COMMENT 40
CLASS: AQUA
aCH3COCH2 + aO2 = aCH3COCH2O2
TEMP3:  A: 3.1e9  B: 0.0

COMMENT 41
CLASS: AQUA
aCH3COCH2O2 + aCH3COCH2O2 = aMGLY + aCH3COCH2OH + aO2 
TEMP3:  A: 6.0e7  B:0.0

COMMENT 42
CLASS: AQUA
aCH3COCH2O2 + aCH3COCH2O2 = 2 aCH3COCH2O + aO2
TEMP3:  A: 1.96e8  B: 0.0

COMMENT 43
CLASS: AQUA
aCH3COCH2O2 + aCH3COCH2O2 = 2 aMGLY + aH2O2
TEMP3:  A: 1.2e8  B: 0.0

COMMENT 44
CLASS: AQUA
aCH3COCH2O = aHCHO + aCH3CO
TEMP3:  A: 1.6e6  B: 0.0

COMMENT  Oxidation of hydroxyacetone
COMMENT 45
CLAS: AQUA
aCH3COCH2OH + aHO = aCH3COCHOH + [aH2O]
TEMP3: A: 1.2e9  B: -1069

COMMENT  46
CLASS: AQUA
aNO3 + aCH3COCH2OH = aCH3COCHOH + NO3m + Hp
TEMP3:  A: 1.7e6  B: 0.0

COMMENT 47
CLASS: AQUA
aCH3COCHOH + aO2 = aCH3COCHOHO2
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 48
CLASS: AQUA
aCH3COCHOHO2 = aMGLY + aHO2
TEMP3:  A: 2.1e2  B: -4990

COMMENT  Formation of Pyruvic acid
COMMENT 49
CLASS: AQUA
aCH3COCHOHO2 + aCH3COCHOHO2 = aH2O2 + 2 aCH3COCOOH
TEMP3:  A: 3.5e8  B: 0.0

COMMENT  Oxidation of Methylglyoxal (Hydrated form)
COMMENT 50
CLASS: AQUA
aCH3COCHOH2 + aHO = aCH3COCOH2 + [aH2O]
TEMP3:  A: 7.9e8  B: -1589

COMMENT  51
CLASS: AQUA
aNO3 + aCH3COCHOH2 = aCH3COCOH2 + NO3m + Hp
TEMP3:  A: 6.3e7  B: 0.0

COMMENT 52
CLASS: AQUA
aCH3COCOH2 + aO2 = aCH3COCOH2O2
TEMP3:  A: 2.0e9  B: 0.0

COMMENT  Formation of Pyruvic acid
COMMENT 53
CLASS: AQUA
aCH3COCOH2O2 = aCH3COCOOH + aHO2
TEMP3:  A: 1.0e7  B: 0.0

COMMENT Oxidation of malonic acid
COMMENT 54
CLASS: AQUA
aHO + aHOOCCH2COOH = aHOOCCHCOOH + [aH2O]
TEMP3:  A: 1.6e7  B: 0.0

COMMENT  55
CLASS: AQUA
aNO3 + aHOOCCH2COOH = aHOOCCHCOOH + NO3m + Hp
TEMP3:  A: 1.2e5  B: 0.0

COMMENT 56
CLASS: AQUA
aHOOCCHCOOH + aO2 = aHOOCCHO2COOH
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 57
CLASS: AQUA
aHOOCCHO2COOH + aHOOCCHO2COOH = aHOOCCOCOOH + aHOOCCHOHCOOH + aO2
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 58
CLASS: AQUA
aHOOCCHO2COOH + aHOOCCHO2COOH = 2 aHOOCCOCOOH + aH2O2
TEMP3:  A: 2.0e7  B: 0.0

COMMENT 59
CLASS: AQUA
aHOOCCHO2COOH + aHOOCCHO2COOH =  2 aCHOH2COOH + 2 aCO2 + aH2O2 - 2 [aH2O]
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 60
CLASS: AQUA
aHOOCCHO2COOH + aHOOCCHO2COOH =  2 aHOOCCOCOOH + 2 O2m + 2 [aH2O] - 2 OHm - aO2
TEMP3:  A: 7.5e6  B: 0.0

COMMENT Oxidation of malonate (dianion)
COMMENT 61
CLASS: AQUA 
aHO + OOCCH2COOmm =  [aH2O] + OOCCHCOOmm
TEMP3:  A: 2.4e8  B: 0.0

COMMENT  62
CLASS: AQUA
aNO3 + OOCCH2COOmm = OOCCHCOOmm + NO3m + Hp
TEMP3:  A: 1.1e6  B: 0.0

COMMENT 63
CLASS: AQUA 
OOCCHCOOmm + aO2 = OOCCHO2COOmm 
TEMP3:  A: 2e9  B: 0.0

COMMENT Mesoxalate formation
COMMENT 64
CLASS: AQUA 
OOCCHO2COOmm  + OOCCHO2COOmm  = OOCCOCOOmm + OOCCHOHCOOmm + aO2
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 65
CLASS: AQUA 
OOCCHO2COOmm  + OOCCHO2COOmm  = 2 OOCCOCOOmm + aH2O2
TEMP3:  A: 2e7  B: 0.0

COMMENT 66
CLASS: AQUA 
OOCCHO2COOmm  + OOCCHO2COOmm  = 2 CHOH2COOm + 2 aCO2 + aH2O2 + 2 OHm - 4 [aH2O]
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 67
CLASS: AQUA 
OOCCHO2COOmm  + OOCCHO2COOmm  = 2 OOCCOCOOmm + 2 O2m + 2 [aH2O] - 2 OHm - aO2
TEMP3:  A: 7.5e6  B: 0.0

COMMENT Oxidation of malonate monoanion
COMMENT 68
CLASS: AQUA 
aHO + HOOCCH2COOm = [aH2O] + HOOCCHCOOm 
TEMP3:  A: 3.6e8  B: -1300

COMMENT  69
CLASS: AQUA
aNO3 + HOOCCH2COOm = HOOCCHCOOm + NO3m + Hp
TEMP3:  A: 1.1e6  B: 0.0

COMMENT 70
CLASS: AQUA 
HOOCCHCOOm + aO2 = HOOCCO2HCOOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 71
CLASS: AQUA 
HOOCCO2HCOOm + HOOCCO2HCOOm = HOOCCOCOOm + HOOCCHOHCOOm + aO2 
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 72
CLASS: AQUA 
HOOCCO2HCOOm + HOOCCO2HCOOm = 2 HOOCCOCOOm + aH2O2
TEMP3:  A: 2.0e7  B: 0.0

COMMENT 73
CLASS: AQUA 
HOOCCO2HCOOm + HOOCCO2HCOOm = 2 aCHOH2COOH + 2 aCO2 + aH2O2 + 2 OHm - 4 [aH2O]
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 74
CLASS: AQUA 
HOOCCO2HCOOm + HOOCCO2HCOOm = 2 HOOCCOCOOm + 2 O2m + 2 [aH2O] -2.0 OHm - aO2
TEMP3:  A: 7.5e6  B: 0.0

COMMENT  Oxidation of Pyruvic acid
COMMENT 75
CLASS: AQUA 
aHO + aCH3COCOOH = aCH2COCOOH + [aH2O] 
TEMP3:  A: 1.2e8  B: -2800

COMMENT 76
CLASS: AQUA
aNO3 + aCH3COCOOH = aCH2COCOOH + NO3m + Hp
TEMP3  A: 4.8e6  B: 0.0

COMMENT 77
CLASS: AQUA 
aCH2COCOOH + aO2 = aO2CH2COCOOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 78
CLASS: AQUA
aO2CH2COCOOH + aO2CH2COCOOH = aCHOCOCOOH + aHOCH2COCOOH + aO2
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 79
CLASS: AQUA
aO2CH2COCOOH + aO2CH2COCOOH = 2 aCHOCOCOOH + aH2O2
TEMP3:  A: 2.0e7  B: 0.0

COMMENT 80
CLASS: AQUA
aO2CH2COCOOH + aO2CH2COCOOH = 2 aCH3CHO + aH2O2 + 2 aCO2 + 2 aO2 - 2 [aH2O] 
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 81
CLASS: AQUA
aO2CH2COCOOH + aO2CH2COCOOH = 2 aCHOCOCOOH + 2 O2m + 2 [aH2O] - 2 OHm - aO2 
TEMP3:  A: 7.5e6  B: 0.0

COMMENT Oxidation of Pyruvate
COMMENT 82
CLASS: AQUA 
aHO  + CH3COCOOm = CH2COCOOm + [aH2O] 
TEMP3:  A: 7e8  B: -2285

COMMENT  83
CLASS: AQUA
aNO3 + CH3COCOOm = CH2COCOOm + NO3m + Hp
TEMP3:  A: 1.9e8  B: 0.0

COMMENT 84
CLASS: AQUA 
CH2COCOOm + aO2 = O2CH2COCOOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 85
CLASS: AQUA 
O2CH2COCOOm + O2CH2COCOOm = CHOCOCOOm + HOCH2COCOOm + aO2
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 86
CLASS: AQUA
O2CH2COCOOm + O2CH2COCOOm = aH2O2 + 2 CHOCOCOOm
TEMP3:  A: 2e7  B: 0.0

COMMENT 87
CLASS: AQUA
O2CH2COCOOm + O2CH2COCOOm = 2 aCH3CHO + 2 aCO2 + 2 aO2 + aH2O2 + 2 OHm - 4 [aH2O]
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 88
CLASS: AQUA
O2CH2COCOOm + O2CH2COCOOm = 2 O2m + 2 CHOCOCOOm + 2 [aH2O] - 2 OHm - aO2
TEMP3:  A: 7.5e6   B: 0.0

COMMENT Oxidation of succinic acid

COMMENT 89
CLASS: AQUA 
aHO + aC2H4COOH2 = [aH2O] + aCHCH2COOH2 
TEMP3:  A: 1.1e8  B: -1300

COMMENT  90
CLASS: AQUA
aNO3 + aC2H4COOH2 = aCHCH2COOH2 + NO3m + Hp
TEMP3:  A: 2.3e5  B: 0.0

COMMENT 91
CLASS: AQUA 
aCHCH2COOH2 + aO2 = aO2CHCH2COOH2
TEMP3:  A: 2e9  B: 0.0

COMMENT 92 
CLASS: AQUA
aO2CHCH2COOH2 + aO2CHCH2COOH2 = aHOOCCOCH2COOH + aHOOCCHOHCH2COOH + aO2
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 93 
CLASS: AQUA
aO2CHCH2COOH2 + aO2CHCH2COOH2 = 2 aHOOCCOCH2COOH + aH2O2
TEMP3:  A: 2e7  B: 0.0

COMMENT 94 
CLASS: AQUA
aO2CHCH2COOH2 + aO2CHCH2COOH2 = 2 aCHOCH2COOH + 2 aCO2 + aH2O2
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 95
CLASS: AQUA
aO2CHCH2COOH2 + aO2CHCH2COOH2 = 2 O2m + 2 aHOOCCOCH2COOH + 2 [aH2O] - 2 OHm - aO2
TEMP3:  A: 7.5e6  B: 0.0

COMMENT 96
CLASS: AQUA
aCHOH2CH2COOH + aHO = aCOH2CH2COOH + [aH2O]
TEMP3:  A: 5.4e8  B: 0.0

COMMENT 97
CLASS: AQUA
aNO3 + aCHOH2CH2COOH = aCOH2CH2COOH + NO3m + Hp
TEMP3:  A: 3.0e6  B: 0.0

COMMENT 98
CLASS: AQUA
aCOH2CH2COOH + aO2 = aCOH2O2CH2COOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 99
CLASS: AQUA
aCOH2O2CH2COOH = aHOOCCH2COOH + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT Oxidation of succinate dianion
COMMENT 100
CLASS: AQUA 
aHO + OOCCH2CH2COOmm = OOCCHCH2COOmm + [aH2O]
TEMP3:  A: 5e8  B:  -1300

COMMENT 101
CLASS: AQUA
aNO3 + OOCCH2CH2COOmm = OOCCHCH2COOmm + NO3m + Hp
TEMP3:  A: 5.5e7  B: 0.0

COMMENT 102
CLASS: AQUA 
OOCCHCH2COOmm + aO2 = OOCCHO2CH2COOmm
TEMP3:  A: 2e9  B: 0.0

COMMENT 103
CLASS: AQUA 
OOCCHO2CH2COOmm  + OOCCHO2CH2COOmm  = OOCCOCH2COOmm + OOCCHOHCH2COOmm + aO2
TEMP3:  A: 1.9e7  B: 0.0 

COMMENT 104
CLASS: AQUA 
OOCCHO2CH2COOmm  + OOCCHO2CH2COOmm  = 2 OOCCOCH2COOmm + aH2O2
TEMP3:  A: 2e7  B: 0.0

COMMENT 105
CLASS: AQUA 
OOCCHO2CH2COOmm  + OOCCHO2CH2COOmm  = 2 CHOCH2COOm + 2 aCO2 + aH2O2 + 2 OHm - 2 [aH2O]
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 106
CLASS: AQUA 
OOCCHO2CH2COOmm  + OOCCHO2CH2COOmm  = 2 OOCCOCH2COOmm + 2 O2m + 2 [aH2O] -2 OHm - aO2
TEMP3:  A: 7.5e6  B: 0.0

COMMENT 107
CLASS: AQUA
CHOH2CH2COOm + aHO = COH2CH2COOm + [aH2O]
TEMP3:  A: 1.2e9  B: 0.0

COMMENT 108
CLASS: AQUA
aNO3 + CHOH2CH2COOm = COH2CH2COOm + NO3m + Hp
TEMP3:  A: 1.1e9  B: 0.0

COMMENT 109
CLASS: AQUA
COH2CH2COOm + aO2 = COH2O2CH2COOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 110
CLASS: AQUA
COH2O2CH2COOm = HOOCCH2COOm + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT  Oxidation of succinate monoanion
COMMENT 111
CLASS: AQUA 
aHO + HOOCC2H4COOm = [aH2O] + HOOCCHCH2COOm 
TEMP3:  A: 5e8  B: -1300

COMMENT  112
CLASS: AQUA
aNO3 + HOOCC2H4COOm = HOOCCHCH2COOm + NO3m + Hp
TEMP3:  A: 5.5e7  B: 0.0

COMMENT 113
CLASS: AQUA 
HOOCCHCH2COOm + aO2 = HOOCCHO2CH2COOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 114
CLASS: AQUA 
HOOCCHO2CH2COOm + HOOCCHO2CH2COOm =  HOOCCOCH2COOm + HOOCCHOHCH2COOm + aO2 
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 115
CLASS: AQUA 
HOOCCHO2CH2COOm + HOOCCHO2CH2COOm = 2 HOOCCOCH2COOm + aH2O2
TEMP3:  A: 2e7  B: 0.0

COMMENT 116
CLASS: AQUA 
HOOCCHO2CH2COOm + HOOCCHO2CH2COOm = 2 aCHOCH2COOH + 2 aCO2 + aH2O2 + 2 OHm - 2 [aH2O]
TEMP3:  A: 1.9e7  B: 0.0

COMMENT 117
CLASS: AQUA 
HOOCCHO2CH2COOm + HOOCCHO2CH2COOm = 2 HOOCCOCH2COOm + 2 O2m + 2 [aH2O] - 2 OHm - aO2
TEMP3:  A: 7.5e6  B: 0.0

COMMENT Oxidation of Lactic acid
COMMENT 118
CLASS: AQUA 
aHO + aCH3CHOHCOOH = [aH2O] + aCH3COHCOOH
TEMP3:  A: 4.3e8  B: 0.0

COMMENT  119
CLASS: AQUA
aNO3 + aCH3CHOHCOOH = aCH3COHCOOH + NO3m + Hp
TEMP3:  A:  3e6  B: 0.0

COMMENT 120
CLASS: AQUA 
aCH3COHCOOH + aO2 = aCH3CO2OHCOOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 121
CLASS: AQUA 
aCH3CO2OHCOOH = aHO2 + aCH3COCOOH 
TEMP3:  A: 665  B: 0.0

COMMENT Oxidation of Lactate
COMMENT 122
CLASS: AQUA
aHO + CH3CHOHCOOm = CH3COHCOOm + [aH2O]
TEMP3:  A: 1.2e9  B: 0.0

COMMENT 123
CLASS: AQUA
aNO3 + CH3CHOHCOOm = CH3COHCOOm + NO3m + Hp
TEMP3:  A: 5.4e9  B: 0.0

COMMENT 124
CLASS: AQUA
CH3COHCOOm + aO2 = CH3CO2OHCOOm + [aH2O]
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 125
CLASS: AQUA
CH3CO2OHCOOm = CH3COCOOm + aHO2
TEMP3:  A: 665  B: 0.0

COMMENT  Oxidation of Glycolic acid
COMMENT 126
CLASS: AQUA 
aCH2OHCOOH + aHO = aCHOHCOOH + [aH2O]
TEMP3:  A: 5.4e8  B: 0.0

COMMENT  127
CLASS: AQUA
aNO3 + aCH2OHCOOH = aCHOHCOOH + NO3m + Hp
TEMP3:  A: 3e6  B: 0.0

COMMENT 128
CLASS: AQUA 
aCHOHCOOH + aO2 = aO2CHOHCOOH
TEMP3:  A: 2e9  B: 0.0 

COMMENT 129
CLASS: AQUA 
aO2CHOHCOOH = aHO2 + aCHOH2COOH - [aH2O] 
TEMP3:  A: 52  B: 0.0

COMMENT Oxidation of Glycolate
COMMENT 130
CLASS: AQUA
CH2OHCOOm + aHO = CHOHCOOm
TEMP3:  A: 1.2e9  B: 0.0

COMMENT  131
CLASS: AQUA
aNO3 + CH2OHCOOm = CHOHCOOm + NO3m + Hp
TEMP3:  A: 1.1e9  B: 0.0

COMMENT 132
CLASS: AQUA
CHOHCOOm + aO2 = O2CHOHCOOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 133
CLASS: AQUA 
O2CHOHCOOm = aHO2 + CHOH2COOm - [aH2O]
TEMP3:  A: 52  B:  0.0

COMMENT Reactions of the peroxyl radical formed from acetic acid
COMMENT 134
CLASS: AQUA 
aO2CH2COOH + aHO2 = aHO2CH2COOH + aO2
TEMP3:  A: 8.3e5    B: -2720.0

COMMENT 135
CLASS: AQUA 
aO2CH2COOH + O2m = aHO2CH2COOH + aO2 - Hp
TEMP3:  A: 9.7e7    B:  -1060

COMMENT 136
CLASS: AQUA 
aO2CH2COOH + HSO3m = aHO2CH2COOH + SO3m
TEMP3:  A: 5e5    B: 0.0

COMMENT 137
CLASS: AQUA
O2CH2COOm + aHO2 = HO2CH2COOm + aO2
TEMP3:  A: 8.3e5    B: -2720.0

COMMENT 138
CLASS: AQUA
O2CH2COOm + O2m = HO2CH2COOm + aO2 - Hp
TEMP3:  A: 9.7e7    B:  -1060

COMMENT 139
CLASS: AQUA 
O2CH2COOm + HSO3m = HO2CH2COOm + SO3m
TEMP3:  A: 5.0e5    B: 0.0

COMMENT Oxidation of acetic acid hydroperoxide
COMMENT 140
CLASS: AQUA
aHO + aHO2CH2COOH = aO2CH2COOH + [aH2O]
TEMP3:  A: 3.0e7    B: 0.0

COMMENT  141
CLASS: AQUA
aNO3 + aHO2CH2COOH = aO2CH2COOH + NO3m + Hp
TEMP3:  A: 1.7e6  B: 0.0

COMMENT 142
CLASS: AQUA 
aHO2CH2COOH + FEpp = FEppp + aCH2OHCOOH + aHO + OHm - [aH2O]
TEMP3:  A: 50.0    B: 0.0

COMMENT Oxidation of acetate hydroperoxide
COMMENT 143
CLASS: AQUA
aHO + HO2CH2COOm = O2CH2COOm + [aH2O]
TEMP3:  A: 3.0e7    B: 0.0

COMMENT 144
CLASS: AQUA
aNO3 + HO2CH2COOm = O2CH2COOm + NO3m + Hp
TEMP3:  A: 7.1e6    B: 0.0

COMMENT 145
CLASS: AQUA
HO2CH2COOm + FEpp = FEppp + CH2OHCOOm + aHO + OHm
TEMP3:  A: 50.0    B: 0.0

COMMENT Oxidation of 1-Butanol
COMMENT 146
CLASS: AQUA 
aHO + aCH3CH2CH2CH2OH = [aH2O] + aCH3CH2CH2CHOH
TEMP3:  A: 4.1e9     B: -1000

COMMENT 147
CLASS: AQUA 
aNO3 + aCH3CH2CH2CH2OH = aCH3CH2CH2CHOH + NO3m + Hp
TEMP3:  A: 1.9e6     B: -1000

COMMENT 148
CLASS: AQUA 
aCH3CH2CH2CHOH + aO2 = aCH3CH2CH2CHO2OH
TEMP3:  A: 2e9      B: 0.0

COMMENT 149
CLASS: AQUA 
aCH3CH2CH2CHO2OH = aHO2 + aCH3CH2CH2CHO
TEMP3:  A: 1000      B: 0.0

COMMENT  Oxidation of Butyraldehyde
COMMENT 150
CLASS: AQUA 
aCH3CH2CH2CHO + aHO = [aH2O] + aCH3CH2CH2CO
TEMP3:  A: 3.9e9      B: -900

COMMENT  151
CLASS: AQUA
aNO3 + aCH3CH2CH2CHO = aCH3CH2CH2CO + NO3m + Hp
TEMP3:  A: 1.8e8  B: 0.0

COMMENT 152
CLASS: AQUA 
aCH3CH2CH2CO + aO2 = aCH3CH2CH2COO2
TEMP3:  A: 2e9      B: 0.0

COMMENT 153
CLASS: AQUA
aCH3CH2CH2COO2 + aCH3CH2CH2COO2 = 2 aCH3CH2CH2COO + aO2
TEMP3:  A: 1.5e8      B: 0.0

COMMENT 154
CLASS: AQUA
aCH3CH2CH2COO = aCH3CH2CH2 + aCO2
TEMP3:  A: 2e9      B: 0.0

COMMENT 155
CLASS: AQUA
aCH3CH2CH2 + aO2 = aCH3CH2CH2O2
TEMP3:  A: 2e9      B: 0.0

COMMENT 156
CLASS: AQUA
aCH3CH2CH2O2 + aCH3CH2CH2O2 = 2 aCH3CH2CH2O + aO2
TEMP3:  A: 1.0e8      B: -750

COMMENT 157
CLASS: AQUA
aCH3CH2CH2O + aO2 = aC2H5CHO + aHO2
TEMP3:  A: 6.0e6      B: 0.0

COMMENT 158
CLASS: AQUA
aCH3CH2CH2O2 + aCH3CH2CH2O2 = aC2H5CHO + aCH3CH2CH2OH + aO2
TEMP3:  A: 6.0e7      B: -750

COMMENT Oxidation of Butyraldehyde (hydrated form)
COMMENT 159
CLASS: AQUA
aCH3CH2CH2CHOH2 + aHO = aCH3CH2CH2COH2
TEMP3:  A: 3.9e9      B: -900

COMMENT 160
CLASS: AQUA
aNO3 + aCH3CH2CH2CHOH2 = aCH3CH2CH2COH2 + NO3m + Hp
TEMP3:  A: 1.8e8      B: 0.0

COMMENT 161
CLASS: AQUA
aCH3CH2CH2COH2 + aO2 = aCH3CH2CH2CO2OH2
TEMP3:  A: 2e9      B: 0.0

COMMENT 162
CLASS: AQUA
aCH3CH2CH2CO2OH2 = aCH3CH2CH2COOH + aHO2
TEMP3:  A: 1000      B: 0.0

COMMENT  Oxidation of butyric acid
COMMENT 163
CLASS: AQUA 
aCH3CH2CH2COOH + aHO = aCH3CH2CHCOOH + [aH2O]
TEMP3:  A: 2.2e9      B: 0.0

COMMENT  164
CLASS: AQUA
aNO3 + aCH3CH2CH2COOH = aCH3CH2CHCOOH + NO3m + Hp
TEMP3:  A: 1.2e7  B: 0.0

COMMENT 165
CLASS: AQUA 
aCH3CH2CHCOOH + aO2 = aCH3CH2CHO2COOH
TEMP3:  A: 2e9       B: 0.0

COMMENT 166
CLASS: AQUA
aCH3CH2CHO2COOH + aCH3CH2CHO2COOH = 2 aCH3CH2COCOOH + aH2O2
TEMP3:  A:  2e7     B: 0.0

COMMENT 167
CLASS: AQUA
aCH3CH2CHO2COOH + aCH3CH2CHO2COOH = aCH3CH2COCOOH + aCH3CH2CHOHCOOH + aO2
TEMP3:  A:  1.9e7     B: 0.0

COMMENT 168
CLASS: AQUA
aCH3CH2CHO2COOH + aCH3CH2CHO2COOH = 2 aC2H5CHO + 2 aCO2 + aH2O2
TEMP3:  A:  1.9e7     B: 0.0

COMMENT 169
CLASS: AQUA
aCH3CH2CHO2COOH + aCH3CH2CHO2COOH = 2 aCH3CH2COCOOH + 2 O2m + 2 [aH2O] - 2 OHm - aO2
TEMP3:  A:  7.5e6     B: 0.0

COMMENT  Oxidation of Butyrate
COMMENT 170
CLASS: AQUA 
CH3CH2CH2COOm + aHO = CH3CH2CHCOOm + [aH2O]
TEMP3:  A:  2e9     B: 0.0

COMMENT  171
CLASS: AQUA
aNO3 + CH3CH2CH2COOm = CH3CH2CHCOOm + NO3m + Hp
TEMP3:  A: 4e9  B: 0.0

COMMENT 172
CLASS: AQUA 
CH3CH2CHCOOm + aO2 = CH3CH2CHO2COOm 
TEMP3:  A: 2e9       B: 0.0

COMMENT 173
CLASS: AQUA
CH3CH2CHO2COOm + CH3CH2CHO2COOm = 2 CH3CH2COCOOm + aH2O2
TEMP3:  A: 2e7       B: 0.0

COMMENT 174
CLASS: AQUA
CH3CH2CHO2COOm + CH3CH2CHO2COOm = CH3CH2COCOOm + CH3CH2CHOHCOOm + aO2
TEMP3:  A: 1.9e7       B: 0.0

COMMENT 175
CLASS: AQUA
CH3CH2CHO2COOm + CH3CH2CHO2COOm = 2 aC2H5CHO + 2 aCO2 + 2 OHm + aH2O2 - 2 [aH2O] 
TEMP3:  A: 1.9e7       B: 0.0

COMMENT 176
CLASS: AQUA
CH3CH2CHO2COOm + CH3CH2CHO2COOm = 2 CH3CH2COCOOm + 2 O2m + 2 [aH2O] - 2 OHm - aO2
TEMP3:  A:  7.5e6     B: 0.0

COMMENT Oxidation of 2-Butanol
COMMENT 177
CLASS: AQUA 
aCH3CH2CHOHCH3 + aHO = aCH3CH2COHCH3 + [aH2O]
TEMP3:  A: 3.5e9       B: -910

COMMENT  178
CLASS: AQUA
aNO3 + aCH3CH2CHOHCH3 = aCH3CH2COHCH3 + NO3m + Hp
TEMP3:  A: 2.4e6  B: 0.0

COMMENT 179
CLASS: AQUA 
aCH3CH2COHCH3 + aO2 = aCH3CH2CO2OHCH3
TEMP3:  A: 2e9       B: 0.0

COMMENT 180
CLASS: AQUA 
aCH3CH2CO2OHCH3 = aHO2 + aCH3COCH2CH3
TEMP3:  A: 1000       B: 0.0

COMMENT Oxidation of MEK

COMMENT 181
CLASS: AQUA
aCH3COCH2CH3 + aHO = aCH3COCHCH3 + [aH2O]
TEMP3:  A: 1.17e9  B: -1451

COMMENT 182
CLASS: AQUA
aCH3COCH2CH3 + aHO = aCH2COCH2CH3 + [aH2O]
TEMP3:  A: 1.3e8  B: -1451

COMMENT  183
CLASS: AQUA
aNO3 + aCH3COCH2CH3 = aCH3COCHCH3 + NO3m + Hp
TEMP3:  A: 7.38e5  B: 0.0

COMMENT  184
CLASS: AQUA
aNO3 + aCH3COCH2CH3 = aCH2COCH2CH3 + NO3m + Hp
TEMP3:  A: 8.2e4  B: 0.0

COMMENT 185
CLASS: AQUA
aCH3COCHCH3 + aO2 = aCH3COCHO2CH3
TEMP3:  A: 3.1e9  B: 0.0

COMMENT 186
CLASS: AQUA
aCH3COCHO2CH3 + aCH3COCHO2CH3 = 2 aCH3COCHOCH3 + aO2
TEMP3:  A: 3.6e8  B: 0.0

COMMENT 187
CLASS: AQUA
aCH3COCHO2CH3 + aCH3COCHO2CH3 = 2 aCH3COCOCH3 + aH2O2
TEMP3:  A: 4e7  B: 0.0

COMMENT 188
CLASS: AQUA
aCH3COCHOCH3 = aCH3CHO + aCH3CO
TEMP3:  A: 1.3e5  B: 6441

COMMENT  Oxidation of 2,3-Butanedione
COMMENT 189
CLASS: AQUA
aCH3COCOCH3 + aHO = aCH3COCOCH2 + [aH2O]
TEMP3:  A: 1.4e8  B: -2435

COMMENT 190
CLASS: AQUA
aCH3COCOCH3 + aHO = aCH3COOH + aCH3CO
TEMP3:  A: 1.4e8  B: -2435

COMMENT 191
CLASS: AQUA
aNO3 + aCH3COCOCH3 = aCH3COCOCH2 + NO3m + Hp
TEMP3:  A: 2.9e3  B: 0.0

COMMENT 192
CLASS: AQUA
aNO3 + aCH3COCOCH3 = aCH3CONO3 + aCH3CO
TEMP3:  A: 2.9e3  B: 0.0

COMMENT 193
CLASS: AQUA
aCH3COCOCH2 + aO2 = aCH3COCOCH2O2
TEMP3:  A: 2e9  B: 0.0

COMMENT 194
CLASS: AQUA
aCH3COCOCH2O2 + aCH3COCOCH2O2 = 2 aCH3COCOCH2O + aO2
TEMP3:  A: 1.5e8  B: 0.0

COMMENT 195
CLASS: AQUA
aCH3COCOCH2O2 + aACO3 = aCH3COO + aCH3COCOCH2O + aO2
TEMP3:  A: 1.5e8  B: 0.0

COMMENT 196
CLASS: AQUA
aCH3COCOCH2O = aCH3CO + aHCHO + aCO
TEMP3:  A: 1.3e5  B: 6441

COMMENT 197
CLASS: AQUA
aCH2COCH2CH3 + aO2 = aO2CH2COCH2CH3
TEMP3:  A: 3.1e9  B: 0.0

COMMENT 198
CLASS: AQUA
aO2CH2COCH2CH3 + aO2CH2COCH2CH3 = 2 aOCH2COCH2CH3 + aO2
TEMP3:  A: 4e8  B: 0.0

COMMENT 199
CLASS: AQUA
aOCH2COCH2CH3 = aHCHO + aCOCH2CH3
TEMP3:  A: 1.3e5  B: 6441

COMMENT 200
CLASS: AQUA
aCOCH2CH3 + [aH2O] = aCOH2CH2CH3
TEMP3:  A: 360.4  B: 0.0

COMMENT 201
CLASS: AQUA
aCOH2CH2CH3 = aCOCH2CH3 + [aH2O]
TEMP3:  A: 3e4  B: 0.0

COMMENT 202
CLASS: AQUA
aCOH2CH2CH3 + aO2 = aO2COH2CH2CH3
TEMP3:  A: 2e9  B: 0.0

COMMENT 203
CLASS: AQUA
aCOCH2CH3 + aO2 = aO2COCH2CH3
TEMP3:  A: 2e9  B: 0.0

COMMENT 204
CLASS: AQUA
aO2COH2CH2CH3 = aCH3CH2COOH + aHO2
TEMP3:  A: 1000  B: 0.0 

COMMENT  Oxidation of 1,4-Dioxo Butene 

COMMENT 205
CLASS: AQUA
aHO + aOHCCHCHCHO = aOHCCHOHCHCHO
TEMP3:  A: 6e9       B: 0.0

COMMENT 206
CLASS: AQUA
aOHCCHOHCHCHO + aO2 = aOHCCHOHCHO2CHO
TEMP3:  A: 2.0e9       B: 0.0

COMMENT 207
CLASS: AQUA 
aOHCCHOHCHO2CHO + aOHCCHOHCHO2CHO = aOHCCHOHCOCHO + aOHCCHOHCHOHCHO + aO2
TEMP3:  A: 1.6e8     B: 0.0

COMMENT  Oxidation of 2-Hydroxy, 3,4-Dioxo, Butyraldehyde
COMMENT 208
CLASS: AQUA 
aHO + aOHCCHOHCOCHO = aOCCHOHCOCHO + [aH2O]
TEMP3:  A: 1.1e9      B: -1516

COMMENT 209
CLASS: AQUA
aNO3 + aOHCCHOHCOCHO = aOCCHOHCOCHO + NO3m + Hp
TEMP3:  A: 3e6  B: 0.0

COMMENT 210
CLASS: AQUA
aOCCHOHCOCHO + aO2 = aOCO2CHOHCOCHO
TEMP3:  A: 2e9  B: 0.0

COMMENT 211
CLASS: AQUA
aOCO2CHOHCOCHO = aHOOCCHOHCOCHO + aHO2 - [aH2O]
TEMP3:  A: 1000  B: 0.0

COMMENT  Oxidation of 2-Hydroxy, 3,4-Dioxo  Butyric acid 
COMMENT 212
CLASS: AQUA 
aHO + aHOOCCHOHCOCHO = aHOOCCHOHCOCO + [aH2O]
TEMP3:  A: 3.6e8      B: -1000

COMMENT 213
CLASS: AQUA
aNO3 + aHOOCCHOHCOCHO = aHOOCCHOHCOCO + NO3m + Hp
TEMP3:  A: 3.4e6  B: 0.0

COMMENT 214
CLASS: AQUA
aHOOCCHOHCOCO + aO2 = aHOOCCHOHCOCOO2
TEMP3:  A: 2e9  B: 0.0

COMMENT 215
CLASS: AQUA
aHOOCCHOHCOCOO2 = aHOOCCHOHCOCOOH + aHO2 - [aH2O]
TEMP3:  A: 1000  B: 0.0

COMMENT 216
CLASS: AQUA 
aHOOCCHOHCOCOOH = aCO2 + aHOCH2COCOOH
TEMP3:  A: 1.0e-5      B: 0.0

COMMENT Oxidation of 2-Hydroxy, 3,4-Oxo Butyrate
COMMENT 217
CLASS: AQUA 
aHO + OOCCHOHCOCHOm = OOCCHOHCOCOm + [aH2O]
TEMP3:  A: 2.6e9      B: -4300

COMMENT 218
CLASS: AQUA
aNO3 + OOCCHOHCOCHOm = OOCCHOHCOCOm + NO3m + Hp
TEMP3:  A: 1.8e5  B: 0.0 

COMMENT 219
CLASS: AQUA
OOCCHOHCOCOm + aO2 = OOCCHOHCOCOO2m
TEMP3:  A: 2e9  B: 0.0

COMMENT 220
CLASS: AQUA
OOCCHOHCOCOO2m = HOOCCHOHCOCOOm + aHO2 - [aH2O]
TEMP3:  A: 1000  B: 0.0

COMMENT 221
CLASS: AQUA 
HOOCCHOHCOCOOm = aCO2 + HOCH2COCOOm
TEMP3:  A: 1.0e-5      B: 0.0

COMMENT  Oxidation of 2,3-Dihydroxy, 4-Oxo Butyraldehyde
COMMENT 222
CLASS: AQUA 
aHO + aOHCCHOHCHOHCHO = aOCCHOHCHOHCHO + [aH2O]
TEMP3:  A: 1.1e9      B: -1516

COMMENT 223
CLASS: AQUA
aNO3 + aOHCCHOHCHOHCHO = aOCCHOHCHOHCHO + NO3m + Hp
TEMP3:  A: 6e6  B: 0.0

COMMENT 224
CLASS: AQUA
aOCCHOHCHOHCHO + aO2 = aOCO2CHOHCHOHCHO
TEMP3:  A: 2e9  B: 0.0

COMMENT 225
CLASS: AQUA
aOCO2CHOHCHOHCHO + [aH2O] = aHOOCCHOHCHOHCHO + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT Oxidation of 2,3-Dihydroxy, 4-Oxo, Butyric acid
COMMENT Formation of Tartaric acid
COMMENT 226
CLASS: AQUA 
aHO + aHOOCCHOHCHOHCHO = aHOOCCHOHCHOHCO + [aH2O]
TEMP3:  A: 3.6e8      B: -1700

COMMENT 227
CLASS: AQUA
aNO3 + aHOOCCHOHCHOHCHO = aHOOCCHOHCHOHCO + NO3m + Hp
TEMP3:  A: 6e6  B: 0.0

COMMENT 228
CLASS: AQUA
aHOOCCHOHCHOHCO + aO2 = aHOOCCHOHCHOHCOO2
TEMP3:  A: 2e9  B: 0.0

COMMENT 229
CLASS: AQUA
aHOOCCHOHCHOHCOO2 + [aH2O] = aHOOCCHOHCHOHCOOH + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT Oxidation of 2,3-Dihydroxy, 4-Oxo Butyrate
COMMENT 230
CLASS: AQUA
aHO + OOCCHOHCHOHCHOm = OOCCHOHCHOHCOm + [aH2O]
TEMP3:  A: 9.7e8  B: -1575

COMMENT 231
CLASS: AQUA
aNO3 + OOCCHOHCHOHCHOm = OOCCHOHCHOHCOm + NO3m + Hp
TEMP3:  A: 1.2e9  B: 0.0

COMMENT 232
CLASS: AQUA
OOCCHOHCHOHCOm + aO2 = OOCCHOHCHOHCOO2m
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 233
CLASS: AQUA
OOCCHOHCHOHCOO2m + [aH2O] = OOCCHOHCHOHCOOHm + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT Oxidation of Ethylene glycol
COMMENT 234
CLASS: AQUA
aHO + aCH2OHCH2OH = aCHOHCH2OH + [aH2O]
TEMP3:  A: 1.4e9  B: 0.0

COMMENT 235
CLASS: AQUA
aNO3 + aCH2OHCH2OH = aCHOHCH2OH + NO3m + Hp
TEMP3:  A: 7.6e5  B: 0.0

COMMENT 236
CLASS: AQUA
aCHOHCH2OH + aO2 = aO2CHOHCH2OH
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 237
CLASS: AQUA
aO2CHOHCH2OH = aOHCCH2OH + aHO2
TEMP3:  A: 190  B: 0.0

COMMENT Oxidation of Glycolaldehyde
COMMENT 238
CLASS: AQUA
aHO + aOHCCH2OH = aCH2OHCO + [aH2O]
TEMP3:  A: 3.6e9  B: 0.0

COMMENT 239
CLASS: AQUA
aNO3 + aOHCCH2OH = aCH2OHCO + NO3m + Hp
TEMP3:  A: 1.1e7  B: 0.0

COMMENT 240
CLASS: AQUA
aCH2OHCO + aO2 = aCH2OHCO2O
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 241
CLASS: AQUA
aCH2OHCO2O + [aH2O] = aCH2OHCOOH + aHO2
TEMP3:  A: 190  B: 0.0

COMMENT Oxidation of Glycolaldehyde (hydrated form)
COMMENT 242
CLASS: AQUA
aHO + aOH2CHCH2OH = aOH2CCH2OH + [aH2O]
TEMP3:  A: 1.2e9  B: 0.0

COMMENT 243
CLASS: AQUA
aNO3 + aOH2CHCH2OH = aOH2CCH2OH + NO3m + Hp
TEMP3:  A: 1.1e7  B: 0.0

COMMENT 244
CLASS: AQUA
aOH2CCH2OH + aO2 = aOH2CO2CH2OH
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 245
CLASS: AQUA
aOH2CO2CH2OH = aCH2OHCOOH + aHO2
TEMP3:  A: 190  B: 0.0

COMMENT Oxidation of 3-Hydroxy Pyruvic acid
COMMENT 246
CLASS: AQUA 
aHOCH2COCOOH + aHO = aHOCHCOCOOH + [aH2O]
TEMP3:  A: 5.4e8      B: 0.0

COMMENT 247
CLASS: AQUA
aNO3 + aHOCH2COCOOH = aHOCHCOCOOH + NO3m + Hp
TEMP3:  A: 3.7e6  B: 0.0

COMMENT 248
CLASS: AQUA
aHOCHCOCOOH + aO2 = aHOCO2HCOCOOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 249
CLASS: AQUA
aHOCO2HCOCOOH = aCHOCOCOOH + aHO2
TEMP3:  A: 665  B: 0.0

COMMENT 250
CLASS: AQUA
aCHOCOCOOH = aCH3CHO + aCO2 + aO2 - [aH2O]
TEMP3:  A: 1.0e-5  B:0.0

COMMENT Oxidation of 3-Hydroxy Pyruvate
COMMENT 251
CLASS: AQUA
HOCH2COCOOm + aHO = HOCHCOCOOm + [aH2O]
TEMP3:  A: 1.2e9      B: 0.0

COMMENT 252
CLASS: AQUA
aNO3 + HOCH2COCOOm = HOCHCOCOOm + NO3m + Hp
TEMP3:  A: 1.8e9      B: 0.0

COMMENT 253
CLASS: AQUA
HOCHCOCOOm + aO2 = HOCO2HCOCOOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 254
CLASS: AQUA
HOCO2HCOCOOm = CHOCOCOOm + aHO2
TEMP3:  A: 665  B: 0.0

COMMENT 255
CLASS: AQUA
CHOCOCOOm = aGLY + aCO2 + OHm
TEMP3:  A: 1.0e-6      B: 0.0

Oxidation of 3-Oxo Pyruvic acid
COMMENT 256
CLASS: AQUA 
aCHOCOCOOH + aHO = aOCCOCOOH + [aH2O]
TEMP3:  A: 3.6e8       B: -1000.0 

COMMENT 257
CLASS: AQUA
aNO3 + aCHOCOCOOH = aOCCOCOOH + NO3m + Hp
TEMP3:  A: 3.4e6  B: 0.0

COMMENT 258
CLASS: AQUA
aOCCOCOOH + aO2 = aOCO2COCOOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 259
CLASS: AQUA
aOCO2COCOOH = aHOOCCOCOOH + aHO2 - [aH2O]
TEMP3:  A: 665  B: 0.0

COMMENT Oxidation of 3-Oxo, Pyruvate
COMMENT 260
CLASS: AQUA 
CHOCOCOOm + aHO = OCCOCOOm + [aH2O]
TEMP3:  A: 2.6e9       B: -4300

COMMENT 261
CLASS: AQUA
aNO3 + CHOCOCOOm = OCCOCOOm + NO3m + Hp
TEMP3:  A: 9.3e9  B: 0.0

COMMENT 262
CLASS: AQUA
OCCOCOOm + aO2 = OCO2COCOOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 263
CLASS: AQUA
OCO2COCOOm = HOOCCOCOOm + aHO2 - [aH2O]
TEMP3:  A: 665  B: 0.0

COMMENT Oxidation of Malic acid
COMMENT 264
CLASS: AQUA 
aHOOCCHOHCH2COOH + aHO = aHOOCCOHCH2COOH + [H2O]
TEMP3:  A:  3.6e8   B:  -1575

COMMENT 265
CLASS: AQUA
aNO3 + aHOOCCHOHCH2COOH = aHOOCCOHCH2COOH + NO3m + Hp
TEMP3:  A: 2.4e6  B: 0.0

COMMENT 266
CLASS: AQUA
aHOOCCOHCH2COOH + aO2 = aHOOCCO2OHCH2COOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 267
CLASS: AQUA
aHOOCCO2OHCH2COOH = aHOOCCOCH2COOH + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT   Oxidation of Malate
COMMENT 268
CLASS: AQUA 
HOOCCHOHCH2COOm + aHO = HOOCCOHCH2COOm + [H2O]
TEMP3:  A:  9.7e8   B:  -1700

COMMENT 269
CLASS: AQUA
aNO3 + HOOCCHOHCH2COOm = HOOCCOHCH2COOm + NO3m + Hp
TEMP3:  A: 1.3e9  B: 0

COMMENT 270
CLASS: AQUA
HOOCCOHCH2COOm + aO2 = HOOCCO2OHCH2COOm
TEMP3:  A: 2e9  B: 0

COMMENT 271
CLASS: AQUA
HOOCCO2OHCH2COOm = HOOCCOCH2COOm + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT Oxidation of Oxalacetic acid
COMMENT 272
CLASS: AQUA 
aHOOCCOCH2COOH + aHO = aHOOCCOCHCOOH + [aH2O]
TEMP3:  A: 1.1e8      B: -1300.0

COMMENT 273
CLASS: AQUA
aNO3 + aHOOCCOCH2COOH = aHOOCCOCHCOOH + NO3m + Hp
TEMP3:  A: 2.2e5  B: 0.0

COMMENT 274
CLASS: AQUA
aHOOCCOCHCOOH + aO2 = aHOOCCOCHO2COOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 275
CLASS: AQUA
aHOOCCOCHO2COOH + aHOOCCOCHO2COOH = aHOOCCHOHCOCOOH + aHOOCCOCOCOOH + aO2
TEMP3:  A: 1.6e8      B: 0.0

COMMENT 276
CLASS: AQUA
aHOOCCOCOCOOH = aCO2 + aCHOCOCOOH
TEMP3:  A: 1.0e-5    B: 0.0

COMMENT 277
CLASS: AQUA
aHOOCCHOHCOCOOH = aCO2 + aCHOCHOHCOOH
TEMP3:  A: 1.0e-5    B: 0.0

COMMENT 278
CLASS: AQUA
aCHOCHOHCOOH + aHO = aCHOCOHCOOH
TEMP3:  A: 4.3e8    B: 0.0

COMMENT 279
CLASS: AQUA
aNO3 + aCHOCHOHCOOH = aCHOCOHCOOH + NO3m + Hp
TEMP3:  A: 3.0e6    B: 0.0

COMMENT 280
CLASS: AQUA
aCHOCOHCOOH + aO2 = aCHOCOHO2COOH
TEMP3:  A: 2e9    B: 0.0

COMMENT 281
CLASS: AQUA
aCHOCOHO2COOH = aCHOCOCOOH + aHO2
TEMP3:  A: 1000    B: 0.0

COMMENT Oxidation of Oxalacetate
COMMENT 282
CLASS: AQUA 
HOOCCOCH2COOm + aHO = HOOCCOCHCOOm + [aH2O]
TEMP3:  A: 5.0e8      B: -1300.0

COMMENT 283
CLASS: AQUA
aNO3 + HOOCCOCH2COOm = HOOCCOCHCOOm + NO3m + Hp
TEMP3:  A: 5.5e7  B: 0.0

COMMENT 284
CLASS: AQUA
HOOCCOCHCOOm + aO2 = HOOCCOCHO2COOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 285
CLASS: AQUA 
HOOCCOCHO2COOm + HOOCCOCHO2COOm = HOOCCHOHCOCOOm + HOOCCOCOCOOm + aO2
TEMP3:  A: 1.6e8      B: 0.0

COMMENT 286
CLASS: AQUA 
HOOCCOCOCOOm = aCO2 + CHOCOCOOm
TEMP3:  A: 1.0e-6    B: 0.0

COMMENT 287 
CLASS: AQUA 
HOOCCHOHCOCOOm = aCO2 + CHOCHOHCOOm
TEMP3:  A: 1.0e-6    B: 0.0

COMMENT 288
CLASS: AQUA
CHOCHOHCOOm + aHO = CHOCOHCOOm
TEMP3:  A: 1.2e9    B: 0.0

COMMENT 289
CLASS: AQUA
aNO3 + CHOCHOHCOOm = CHOCOHCOOm + NO3m + Hp
TEMP3:  A: 5.4e9    B: 0.0

COMMENT 290
CLASS: AQUA
CHOCOHCOOm + aO2 = CHOCOHO2COOm
TEMP3:  A: 2e9    B: 0.0

COMMENT 291
CLASS: AQUA
CHOCOHO2COOm = CHOCOCOOm + aHO2
TEMP3:  A: 1000    B: 0.0

COMMENT Oxidation of Tartronic acid
COMMENT 292
CLASS: AQUA 
aHOOCCHOHCOOH + aHO = aHOOCCOHCOOH + [aH2O]
TEMP3:  A: 1.7e8      B: 0.0
 
COMMENT 293
CLASS: AQUA
aNO3 + aHOOCCHOHCOOH = aHOOCCOHCOOH + NO3m + Hp
TEMP3:  A: 3e6      B: 0.0

COMMENT 294
CLASS: AQUA 
aHOOCCOHCOOH + aO2 = aHOOCCO2OHCOOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 295
CLASS: AQUA
aHOOCCO2OHCOOH = aHOOCCOCOOH + aHO2
TEMP3:  A: 665  B: 0.0

COMMENT 296
CLASS: AQUA
aHOOCCOCOOH = aCO2 + aCHOH2COOH - [aH2O]
TEMP3:  A: 1.0e-5      B: 0.0

COMMENT Oxidation of Tartronate
COMMENT 297
CLASS: AQUA 
HOOCCHOHCOOm + aHO = HOOCCOHCOOm + [aH2O]
TEMP3:  A: 3.6e8      B: 0.0

COMMENT 298
CLASS: AQUA
aNO3 + HOOCCHOHCOOm = HOOCCOHCOOm + NO3m + Hp
TEMP3:  A: 1.1e6  B: 0.0

COMMENT 299
CLASS: AQUA
HOOCCOHCOOm + aO2 = HOOCCO2OHCOOm
TEMP3:  A: 2e9  B: 0.0

COMMENT 300
CLASS: AQUA
HOOCCO2OHCOOm = HOOCCOCOOm + aHO2
TEMP3:  A: 665  B: 0.0

COMMENT 301
CLASS: AQUA 
HOOCCOCOOm = aCO2 + CHOH2COOm - [aH2O]
TEMP3:  A: 1.0e-6      B: 0.0 

COMMENT  Oxidation of Methyl Isobutyl Ketone
COMMENT 302
CLASS: AQUA
aCH3COCH2CHCH32 + aHO = aCH3COCHCHCH32 + [aH2O]
TEMP3:  A: 2.38e9  B: -1360

COMMENT 303
CLASS: AQUA
aCH3COCH2CHCH32 + aHO = aCH3COCH2CCH32 + [aH2O]
TEMP3:  A: 1.02e9  B: -1360

COMMENT 304
CLASS: AQUA
aNO3 + aCH3COCH2CHCH32 = aCH3COCHCHCH32 + NO3m + Hp
TEMP3:  A: 1.05e5  B: 0.0

COMMENT 305
CLASS: AQUA
aNO3 + aCH3COCH2CHCH32 = aCH3COCH2CCH32 + NO3m + Hp
TEMP3:  A: 4.5e4  B: 0.0

COMMENT 306
CLASS: AQUA
aCH3COCHCHCH32 + aO2 = aCH3COCHO2CHCH32
TEMP3:  A: 2e9  B: 0.0

COMMENT 307
CLASS: AQUA
aCH3COCHO2CHCH32 + aCH3COCHO2CHCH32 = aO2 + 2 aCH3COCHOCHCH32
TEMP3:  A: 1.6e8  B: 0.0

COMMENT 308
CLASS: AQUA
aCH3COCHO2CHCH32 + aCH3COCHO2CHCH32 = aH2O2 + 2 aCH3COCOCHCH32
TEMP3:  A: 1.2e8  B: 0.0

COMMENT 309
CLASS: AQUA
aCH3COCHO2CHCH32 + aCH3COCHO2CHCH32 = aO2 + aCH3COCOCHCH32 + aCH3COCHOHCHCH32
TEMP3:  A: 1.2e8  B: 0.0

COMMENT 310
CLASS: AQUA
aCH3COCHOCHCH32 = aCH3CO + aOHCCHCH32
TEMP3:  A: 1.6e6  B: 0.0

COMMENT 311
CLASS: AQUA
aCH3COCH2CCH32 + aO2 = aCH3COCH2CO2CH32
TEMP3:  A: 2.0e9  B: 0.0

COMMENT 312
CLASS: AQUA
aCH3COCH2CO2CH32 + aCH3COCH2CO2CH32 = aO2 + 2 aCH3COCH2COCH32
TEMP3:  A: 4.0e8  B: 0.0

COMMENT 313
CLASS: AQUA
aCH3COCH2COCH32 = aCH3COCH3 + aCH3COCH2
TEMP3:  A: 1.28e6  B: 0.0

COMMENT 314
CLASS: AQUA
aCH3COCH2COCH32 = aCH2COCH2COHCH32
TEMP3:  A: 3.2e5  B: 0.0

COMMENT 315
CLASS: AQUA
aCH2COCH2COHCH32 + aO2 = aO2CH2COCH2COHCH32
TEMP3:  A: 3.1e9  B: 0.0

COMMENT 316
CLASS: AQUA
aO2CH2COCH2COHCH32 + aO2CH2COCH2COHCH32 = aH2O2 + 2 aOHCCOCH2COHCH32
TEMP3:  A: 1.2e8  B: 0.0

COMMENT 317
CLASS: AQUA
aO2CH2COCH2COHCH32 + aO2CH2COCH2COHCH32 = aO2 + aOHCCOCH2COHCH32 + aCH2OHCOCH2COHCH32
TEMP3:  A: 6e7  B: 0.0

COMMENT 318
CLASS: AQUA
aO2CH2COCH2COHCH32 + aO2CH2COCH2COHCH32 = aO2 + aOCH2COCH2COHCH32
TEMP3:  A: 1.96e8  B: 0.0

COMMENT 319
CLASS: AQUA
aOCH2COCH2COHCH32 + aOCH2COCH2COHCH32 =  aOHCCOCH2COHCH32 + aCH2OHCOCH2COHCH32
TEMP3:  A: 1e+6  B: 0.0

COMMENT 320
CLASS: AQUA
aOCH2COCH2COHCH32 = aHCHO + aCOCH2COHCH32
TEMP3:  A: 1.6e6  B: 0.0

COMMENT 321
CLASS: AQUA
aCOCH2COHCH32 = aCHOCH2COHCH3CH2
TEMP3:  A: 3.2e5  B: 0.0

COMMENT 322
CLASS: AQUA
aCHOCH2COHCH3CH2 + aO2 = aCHOCH2COHCH3CH2O2
TEMP3:  A: 2e9  B: 0.0

COMMENT 323
CLASS: AQUA
aCHOCH2COHCH3CH2O2 + aCHOCH2COHCH3CH2O2 = aCHOCH2COHCH3CH2OH + aCHOCH2COHCH3CHO + aO2
TEMP3:  A: 6e7  B: 0.0

COMMENT 324
CLASS: AQUA
aC2H5OCHO + [aH2O] = aETOH + aORA1
TEMP3:  A: 4.7e-6  B: -1.1e4

COMMENT 325
CLASS: AQUA
aC2H5OCHO + Hp = aETOH + aORA1 + Hp - [aH2O]
TEMP3:  A: 2.6e-3  B: -7.22e3

COMMENT  Oxidation of Ethyl Formate
COMMENT 326
CLASS: AQUA
aC2H5OCHO + aHO = aC2H5OCO + [aH2O] 
TEMP3:  A: 3.34e8  B: -2106

COMMENT 327
CLASS: AQUA
aC2H5OCHO + aHO = aCH3CHOCHO + [aH2O]
TEMP3:  A: 4.56e7  B: -2106

COMMENT 328
CLASS: AQUA
aNO3 + aC2H5OCHO = aC2H5OCO + NO3m + Hp
TEMP3:  A: 8.4e4  B: 0.0

COMMENT 329
CLASS: AQUA
aNO3 + aC2H5OCHO = aCH3CHOCHO + NO3m + Hp
TEMP3:  A: 1.1e4  B: 0.0

COMMENT 330
CLASS: AQUA
aC2H5OCO + aO2 = aC2H5OCOO2
TEMP3:  A: 2e9  B: 0.0

COMMENT 331
CLASS: AQUA
aC2H5OCOO2 + [aH2O] = aETOH + aCO2 + aHO2
TEMP3:  A: 4.7e-6  B: -1.1e4

COMMENT 332
CLASS: AQUA
aC2H5OCOO2 + Hp = aETOH + aCO2 + aHO2 + Hp - [aH2O]
TEMP3:  A: 2.6e-3  B: -7.22e3

COMMENT 333
CLASS: AQUA
aC2H5OCOO2 = aC2H5OCOO + 0.5 aO2
TEMP3:  A: 6.51e-3  B: 0.0

COMMENT 334
CLASS: AQUA
aC2H5OCOO = aCH3CH2O + aCO2
TEMP3:  A: 1.0e9  B: 0.0

COMMENT 335
CLASS: AQUA
aC2H5OCOO = aCH2CH2OCOOH
TEMP3:  A: 3e-3  B: 0.0

COMMENT 336
CLASS: AQUA
aO2CH3CHOH + aO2CH3CHOH = aH2O2 + 2 aCH3COOH
TEMP3:  A:  3.5e8  B: 0.0

COMMENT 337
CLASS: AQUA
aCH2CH2OCOOH + aO2 = aOOCH2CH2OCOOH
TEMP3:  A: 2e9  B: 0.0

COMMENT 338
CLASS: AQUA
aOOCH2CH2OCOOH + aOOCH2CH2OCOOH = 2 aOCH2CH2OCOOH + aO2
TEMP3:  A: 5e8  B: 0.0

COMMENT 339
CLASS: AQUA
aOCH2CH2OCOOH = aHCHO + aCH2OCOOH
TEMP3:  A: 1.6e6  B: 0.0

COMMENT 340
CLASS: AQUA
aCH2OCOOH = aHCHO + aCO2H
TEMP3:  A: 1.6e6  B: 0.0

COMMENT 341
CLASS: AQUA
aCH3CHOCHO + aO2 = aCH3CHO2OCHO
TEMP3:  A: 2e9  B: 0.0

COMMENT 342
CLASS: AQUA
aCH3CHO2OCHO + [aH2O] = aCH3CHO2OH + aORA1
TEMP3:  A: 4.7e-6  B: -1.1e4

COMMENT 343
CLASS: AQUA
aCH3CHO2OCHO + Hp = aCH3CHO2OH + aORA1 + Hp - [aH2O]
TEMP3:  A: 2.6e-3  B: -7.22e3

COMMENT Oxidation of N Methyl Pyrrolidinone
COMMENT 344
CLASS: AQUA
aCH2CH2CH2CONCH3 + aHO = aCH2CH2CONCH3CH + [aH2O]
TEMP3:  A: 6.21e9  B: 0.0

COMMENT 345
CLASS: AQUA
aCH2CH2CH2CONCH3 + aHO = aCH2CH2CH2CONCH2 + [aH2O]
TEMP3:  A: 6.9e8  B: 0.0

COMMENT 346
CLASS: AQUA
aNO3 + aCH2CH2CH2CONCH3 = aCH2CH2CONCH3CH + NO3m + Hp
TEMP3:  A: 7.4e5  B: 0.0

COMMENT 347
CLASS: AQUA
aNO3 + aCH2CH2CH2CONCH3 = aCH2CH2CH2CONCH2 + NO3m + Hp
TEMP3:  A: 8.2e4  B: 0.0

COMMENT 348
CLASS: AQUA
aCH2CH2CONCH3CH + aO2 = aCH2CH2CONCH3CHO2
TEMP3:  A: 2e9  B: 0.0

COMMENT 349
CLASS: AQUA
aCH2CH2CONCH3CHO2 + aCH2CH2CONCH3CHO2 = 2 aCH2CH2CONCH3CHO + aO2
TEMP3:  A: 1e8  B: 0.0

COMMENT 350
CLASS: AQUA
aCH2CH2CONCH3CHO + aO2 = aCH2CH2CONCH3CO + aHO2
TEMP3:  A: 6.0e6  B: 0.0

COMMENT 351
CLASS: AQUA
aCH2CH2CONCH3CO + aHO = aCH2CH2CONCH2CO + [aH2O]
TEMP3:  A: 6.9e9  B: 0.0 

COMMENT 352
CLASS: AQUA
aNO3 + aCH2CH2CONCH3CO = aCH2CH2CONCH2CO + NO3m + Hp
TEMP3:  A: 2.6e7  B: 0.0

COMMENT 353
CLASS: AQUA
aCH2CH2CONCH2CO + aO2 = aCH2CH2CONCH2OOCO
TEMP3:  A: 2e9  B: 0.0

COMMENT 354
CLASS: AQUA
aCH2CH2CONCH2OOCO + aCH2CH2CONCH2OOCO = 2 aCH2CH2CONHCO + 2 aCO2 + aH2O2 - aO2
TEMP3:  A: 1e8  B: 0.0

COMMENT 355
CLASS: AQUA
aCH2CH2CH2CONCH2 + aO2 = aCH2CH2CH2CONCH2O2
TEMP3:  A: 2e9  B: 0.0

COMMENT 356
CLASS: AQUA
aCH2CH2CH2CONCH2O2 + aCH2CH2CH2CONCH2O2 = 2 aCH2CH2CONHCH2 + 2 aCO2 + aH2O2 - aO2
TEMP3:  A: 1e8  B: 0.0

COMMENT 357
CLASS: AQUA
aCH2CH2CONHCH2 + aHO = aCH2CH2CONHCH + [aH2O]
TEMP3:  A: 6.9e9  B: 0.0

COMMENT 358
CLASS: AQUA
aNO3 + aCH2CH2CONHCH2 = aCH2CH2CONHCH + NO3m + Hp
TEMP3:  A: 8.2e5  B: 0.0

COMMENT 359
CLASS: AQUA
aCH2CH2CONHCH + aO2 = aCH2CH2CONHCHO2
TEMP3:  A: 2e9  B: 0.0

COMMENT 360
CLASS: AQUA
aCH2CH2CONHCHO2 + aCH2CH2CONHCHO2 = 2 aCH2CH2CONHCHO + aO2
TEMP3:  A: 1.0e8  B: 0.0

COMMENT 361
CLASS: AQUA
aCH2CH2CONHCHO + aO2 = aCH2CH2CONHCO + aHO2
TEMP3:  A: 6e6  B: 0.0

COMMENT 362
CLASS: AQUA
aCH3COH2O2 = aCH3COOH + aHO2
TEMP3:  A: 1000  B: 0.0

COMMENT Equilibrium reactions 


CLASS: DISS  
[aH2O]          =  OHm + Hp
DTEMP:   A: 1.8e-16  B: -6800.0  C: 1.3e11

CLASS: DISS
aCO2 = HCO3m + Hp
DTEMP:  A: 4.3e-7  B: -913  C: 5.6e4

CLASS: DISS  
HCO3m         = CO3mm + Hp 
DTEMP:   A: 4.7e-11  B: -1820.0  C: 5.0e10 

CLASS: DISS  
aHCL          =  CLm + Hp
DTEMP:   A: 1.72e+6  B: 6890.0  C: 2.9e5

CLASS: DISS  
aNH3 + [aH2O]   =  NH4p  + OHm
DTEMP:   A: 3.17e-7 B: -560.0  C: 3.4e10

CLASS: DISS  
aHO2          =  O2m + Hp
DCONST:   A: 1.6e-5   B: 5.0e10
  
CLASS: DISS  
aHNO3         =    NO3m + Hp
DTEMP:   A: 22.0  B: 1800.0  C: 5.0e10
  
CLASS: DISS  
aHONO         =    NO2m + Hp
DTEMP:   A: 5.3e-4  B: -1760.0  C: 5.0e10

CLASS: DISS 
aHNO4 = NO4m + Hp
DCONST:   A: 1.0e-5   B: 5.0e10

CLASS: DISS  
aNO2 + aHO2 = aHNO4
DCONST:   A: 2.2e9   B: 4.6e-3      

CLASS: DISS  
aSO2 + [aH2O]  =  HSO3m  + Hp
DTEMP:   A: 3.13e-4  B: 1940.0  C: 2.0e8

CLASS: DISS  
HSO3m         =    SO3mm  + Hp
DTEMP:   A: 6.22e-8  B: 1960.0  C: 5.0e10

CLASS: DISS 
aSULF = HSO4m + Hp
DCONST:  A: 1000.0  B: 5e10

CLASS: DISS 
HSO4m = Hp + SO4mm
DTEMP:  A: 1.02e-2  B: 2700.0  C: 1e11

CLASS: DISS 
aORA1 = Hp + HCOOm
DTEMP:  A: 1.77e-4  B: 12  C: 5e10

CLASS: DISS 
aCH3COOH = Hp + MCOOm
DTEMP:  A: 1.75e-5  B: 46.0  C: 5e10

CLASS: DISS  
FEppp + [aH2O]    =   FEOHpp + Hp
DCONST:   A: 1.1e-4  B: 4.3e8

CLASS: DISS  
FEOHpp + [aH2O] = FEOH2p + Hp
DCONST:  A: 1.4e-7  B: 8.0e9

CLASS: DISS  
FESO4p =  FEppp + SO4mm
DCONST:   A: 1.8e-2  B: 1.8e5

CLASS: DISS  
aHCHO  + [aH2O] =    aCH2OH2
DTEMP:   A: 36.0  B: 4030.0  C: 5.1e-3 

CLASS: DISS 
aCH3CHO + [aH2O] = aCH3CHOH2
DTEMP:   A: 2.46e-2  B: 2500.0  C: 5.69e-3  

CLASS: AQUA 
HSO3m  + aHCHO = HMSm   
TEMP3:   A: 790  B: -3293.0 

CLASS: AQUA 
HMSm = HSO3m  + aHCHO
TEMP3:   A: 1.197e-7  B: -5831.0 

CLASS: AQUA 
SO3mm  + aHCHO = HMSm + OHm - [aH2O]
TEMP3:   A: 2.5e+7  B: -2752.0 

CLASS: AQUA 
HMSm = aHCHO + SO3mm + Hp
TEMP3:   A: 3.79e-3  B: -5290.0

CLASS: DISS  
aCL + CLm = CL2m
DCONST:   A: 1.4e5  B: 6e4

CLASS: DISS  
aBR + BRm = BR2m
DCONST:   A: 6.32e5  B: 1.9e4

CLASS: DISS 
CLm + aHO = CLOHm
DCONST:  A: 0.7  B: 6.1e9

CLASS: DISS 
CLOHm + Hp = aCL + [aH2O]
DCONST:  A: 5.1e6  B: 4100.0

CLASS: DISS 
CLOHm + CLm = CL2m + OHm
DCONST:  A: 2.2e-4  B: 4.5e7

CLASS: DISS 
BRm + aHO = BROHm
DCONST:  A: 333.0  B: 3.3e7

CLASS: DISS 
BROHm + Hp = aBR + [aH2O]
DCONST:  A: 1.8e12  B: 2.45e-2       

CLASS: DISS 
BROHm + BRm = BR2m + OHm
DCONST:  A: 70.0   B: 2.7e6

CLASS: DISS 
MNppp + [aH2O] = MNOHpp + Hp
DCONST:  A: 0.93  B: 2e10

CLASS: DISS 
O2m +  MNpp = MNO2p
DCONST:  A: 2.3e4  B: 6500.0

CLASS: DISS 
aHO2 + MNpp  = MNO2p + Hp
DCONST:  A: 0.17  B: 6.5e6

CLASS: DISS 
MNppp + MNppp = MNpp + MNpppp
DCONST:  A: 1e-3  B: 1e10

CLASS: DISS 
MNOHpp + [aH2O] = MNOH2p + Hp
DCONST:  A: 1e-5  B: 2e10

CLASS: DISS 
MNpp  + HSO3m = MNHSO3p
DCONST:  A: 3e4  B: 1.033e3

CLASS: DISS 
aHO3 = Hp + O3m
DCONST:  A: 6.3e-9  B: 5.2e+10

CLASS: DISS 
aHOONO = OONOm + Hp
DCONST:   A:  1e-6  B: 5e10

CLASS: DISS 
CHOHSO3m = CHOSO3mm + Hp 
DCONST:   A: 1.34e-6  B: 4.4e10

CLASS: DISS 
SO5O2Hm = Hp + SO5O2mm
DCONST:   A: 1.5e-5  B: 5e10

CLASS: DISS 
HC2O4m = C2O4mm + Hp
DCONST:  A: 6.25e-5   B: 5.0e10

CLASS: DISS 
aH2C2O4 = HC2O4m + Hp
DCONST:  A:  6.4e-2  B: 5.0e10   

CLASS: DISS 
aCHOH2COOH = Hp + CHOH2COOm
DCONST:  A: 3.16e-4  B: 2e10

CLASS: DISS 
aGLY + [aH2O] = aCHOH2CHOH2
DCONST:  A: 3900.0  B: 5.5e-3

CLASS: DISS 
FEppp + C2O4mm = FEC2O4p
DCONST:  A: 2.9e9  B: 3e-3

CLASS: DISS 
FEC2O4p + C2O4mm = FEC2O42m
DCONST:  A: 6.3e6  B: 3e-3

CLASS: DISS 
FEC2O42m + C2O4mm = FEC2O43mmm
DCONST:  A: 3.8e4  B: 3e-3

CLASS: DISS 
SO4m + CLm = SO4mm + aCL
DCONST:  A: 1.2  B: 2.1e8

CLASS: DISS 
aNO3 + CLm = NO3m + aCL
DTEMP:  A:  3.4  B: -4300.0   C: 1e8

CLASS: DISS 
CLm + FEppp = FECLpp
DCONST:  A: 1.39  B: 2160.0

CLASS: DISS 
aPAA = Hp + PAAm
DCONST:  A: 6.3e-9  B: 5e10

CLASS: DISS
aCH3CO + [aH2O] = aCH3COH2
DCONST:  A: 1.2e-2  B: 3e4

CLASS: DISS 
CUpp + aHO = CUOHpp
DCONST:  A: 1.17e4  B: 3e4

CLASS: DISS 
BRm +  BRm + CO3m = BR2m + CO3mm
DCONST:  A: 0.3  B: 1.1e5

CLASS: DISS 
aO2CH2COOH = Hp + O2CH2COOm
DTEMP:  A: 1.75e-5  B: 46.0  C: 5e10
 
COMMENT Equilibrium reactions organic extension

COMMENT E1
CLASS: DISS 
HOOCCH2COOm = Hp + OOCCH2COOmm
DTEMP:  A: 2.04e-6  B: -117  C: 5e10

COMMENT E2
CLASS: DISS 
aCH3COCOOH = Hp + CH3COCOOm
DCONST:  A: 3.55e-3  B: 5e10

COMMENT E3
CLASS: DISS 
aCH3CH2COOH = Hp + C2H5COOm
DTEMP:  A: 1.349e-5  B: 60  C: 5e10

COMMENT E4
CLASS: DISS 
aMGLY + [aH2O] = aCH3COCHOH2
DCONST:  A: 48.6  B: 0.543

COMMENT E5
CLASS: DISS 
aC2H4COOH2 = Hp + HOOCC2H4COOm
DCONST:  A: 6.46e-5  B: 5e10

COMMENT E6
CLASS: DISS 
HOOCC2H4COOm = Hp + OOCCH2CH2COOmm
DCONST:  A: 2.29e-6  B: 5e10

COMMENT E7
CLASS: DISS 
aCH3CHOHCOOH = Hp + CH3CHOHCOOm
DCONST:  A: 1.35e-5  B: 5e10

COMMENT E8
CLASS: DISS 
aCH2OHCOOH = Hp + CH2OHCOOm
DCONST:  A: 1.48e-4  B: 5e10

COMMENT E9
CLASS: DISS 
aCH3CH2CH2COOH  = CH3CH2CH2COOm + Hp
DTEMP:  A: 1.54e-5  B: -500.0  C: 5e10 

COMMENT E10
CLASS: DISS
aACO3 + [aH2O] = aCH3COH2O2
DCONST:  A: 367  B: 3e4

COMMENT E11
CLASS: DISS
aHO2CH2COOH = HO2CH2COOm + Hp
DCONST:  A: 1.74e-5  B: 5.0e10

COMMENT E12
CLASS: DISS
aHOOCCHOHCOCHO = OOCCHOHCOCHOm + Hp
DCONST:  A: 4.57e-5  B: 5.0e10

COMMENT E13
CLASS: DISS
aHOOCCHOHCOCOOH = HOOCCHOHCOCOOm + Hp
DCONST:  A: 6.03e-3  B: 5.0e10

COMMENT E14
CLASS: DISS
aHOCH2COCOOH = HOCH2COCOOm + Hp
DCONST:  A: 3.55e-3  B: 5.0e10

COMMENT E15
CLASS: DISS
aHOOCCHOHCHOHCHO = OOCCHOHCHOHCHOm + Hp
DCONST:  A: 4.57e-5  B: 5.0e10

COMMENT E16
CLASS: DISS
aHOOCCHOHCHOHCOOH = OOCCHOHCHOHCOOHm + Hp
DCONST:  A: 1.05e-3  B: 5.0e10

COMMENT E17
CLASS: DISS
aCHOCOCOOH = CHOCOCOOm + Hp
DCONST:  A: 3.55e-3  B: 5.0e10

COMMENT E18
CLASS: DISS
aHOOCCOCOOH = HOOCCOCOOm + Hp
DCONST:  A: 3.16e-3  B: 5.0e10

COMMENT E19
CLASS: DISS
aHOOCCHOHCH2COOH = HOOCCHOHCH2COOm + Hp
DCONST:  A: 1.48e-3  B: 5.0e10

COMMENT E20
CLASS: DISS
HOOCCHOHCH2COOm = OOCCHOHCH2COOmm + Hp   
DCONST:  A: 8e-6  B: 5.0e10

COMMENT E21
CLASS: DISS
aHOOCCOCH2COOH = HOOCCOCH2COOm + Hp
DCONST:  A: 2.8e-3  B: 5.0e10

COMMENT E22
CLASS: DISS
HOOCCOCH2COOm = OOCCOCH2COOmm + Hp
DCONST:  A: 4.3e-5  B: 5.0e10

COMMENT E23
CLASS: DISS
aHOOCCOCOCOOH = HOOCCOCOCOOm + Hp
DCONST:  A: 3.16e-3  B: 5.0e10

COMMENT E24
CLASS: DISS
aHOOCCHOHCOOH = HOOCCHOHCOOm + Hp
DCONST:  A: 9.55e-3  B: 5.0e10

COMMENT E25
CLASS: DISS
HOOCCHOHCOOm = OOCCHOHCOOmm + Hp
DCONST:  A: 5.75e-5  B: 5.0e10

COMMENT E26
CLASS: DISS
aHOOCCH2COOH = HOOCCH2COOm + Hp
DCONST:  A: 1.4e-3  B: 5.0e10

COMMENT E27
CLASS: DISS
aCH3CH2COCOOH = CH3CH2COCOOm + Hp
DCONST:  A: 3.16e-3  B: 5.0e10

COMMENT E28
CLASS: DISS
aCHOCHOHCOOH = CHOCHOHCOOm + Hp 
DCONST:  A: 1.35e-5  B: 5.0e10

COMMENT E29
CLASS: DISS
aCHOCH2COOH = CHOCH2COOm + Hp
DTEMP:  A: 1.349e-5  B: 60  C: 5e10

COMMENT E30
CLASS: DISS
aC2H5CHO + [aH2O] = aC2H5CHOH2
DCONST:  A: 1.84e-2  B: 5.69e-3

COMMENT E31
CLASS: DISS
aCH3CH2CH2CHO + [aH2O] = aCH3CH2CH2CHOH2
DCONST:  A: 9.01e-3  B: 5.69e-3

COMMENT E32
CLASS: DISS
aOHCCH2OH +  [aH2O] = aOH2CHCH2OH
DCONST:  A: 1.80e-1  B: 5.69e-3

COMMENT E33
CLASS: DISS
aCHOCH2COOH + [aH2O] = aCHOH2CH2COOH
DCONST:  A: 1.84e-2  B: 5.69e-3

COMMENT E34
CLASS: DISS
CHOCH2COOm + [aH2O] = CHOH2CH2COOm
DCONST:  A: 1.84e-2  B: 5.69e-3