Influence of p\(_{\textsf{CO}_2}\) on the pH of seawater

TITLE Seawater - Step 1

RUNTIME
database ../../CrunchDatabase_ThermoChimie_v12a.dbs
speciate_only true
END

PRIMARY_SPECIES
H2O
H+
Na+  
Mg+2 
Ca+2 
K+   
Sr+2 
Cl-  
SO4-2
HCO3-
F-
END

SECONDARY_SPECIES   
OH- 
CO2
CO3-2
Na(HCO3)  
Mg(HCO3)+ 
Mg(CO3)   
Na(CO3)-
Ca(HCO3)+ 
CaCO3    
Sr(HCO3)+ 
Sr(CO3)   
Ca(SO4) 
CaCl+   
CaCl2
Mg(SO4)
K(SO4)- 
MgCl+                                                           
END

Condition Seawater
units            mol/kgw
temperature      25.0
pH               8.282
Na+              0.4689674
Mg+2             0.0528171
Ca+2             0.0102821
K+               0.0102077
Sr+2             0.0000907
Cl-              charge 
SO4-2            0.0282352
HCO3-            0.0019663
F-               6.830e-05
END

TITLE Seawater - Step 2

RUNTIME
database ../../CrunchDatabase_ThermoChimie_v12a.dbs
speciate_only true
END

PRIMARY_SPECIES
H2O
H+
Na+  
Mg+2 
Ca+2 
K+   
Sr+2 
Cl-  
SO4-2
HCO3-
F-
END

SECONDARY_SPECIES   
OH- 
CO2
CO3-2
Na(HCO3)  
Mg(HCO3)+ 
Mg(CO3)   
Na(CO3)-
Ca(HCO3)+ 
CaCO3    
Sr(HCO3)+ 
Sr(CO3)   
Ca(SO4) 
CaCl+   
CaCl2
Mg(SO4)
K(SO4)- 
MgCl+                                                           
END

GASES
CO2(g)
END

Condition Seawater
units            mol/kgw
temperature      25.0
pH               CO2(g) 410e-6 ! atm
Na+              0.4689674
Mg+2             0.0528171
Ca+2             0.0102821
K+               0.0102077
Sr+2             0.0000907
Cl-              charge 
SO4-2            0.0282352
HCO3-            0.0019663
F-               6.830e-05
END

TITLE 
TITLE Saturation indices of calcite and aragonite in seawater at equilibrium with CO2(g) partial pressure in ??? 
END

RUNTIME
database ../../CrunchDatabase_ThermoChimie_v12a.dbs
speciate_only true
END

PRIMARY_SPECIES
H2O
H+
Na+  
Mg+2 
Ca+2 
K+   
Sr+2 
Cl-  
SO4-2
HCO3-
F-
END

SECONDARY_SPECIES   
OH- 
CO2
CO3-2
Na(HCO3)  
Mg(HCO3)+ 
Mg(CO3)   
Na(CO3)-
Ca(HCO3)+ 
CaCO3    
Sr(HCO3)+ 
Sr(CO3)   
Ca(SO4) 
CaCl+   
CaCl2
Mg(SO4)
K(SO4)- 
MgCl+                                                           
END

GASES
CO2(g)
END

MINERALS
Aragonite
Calcite
END

Condition Seawater
units            mol/kgw
temperature      25.0
pH               CO2(g) 1000e-6 ! atm 
Na+              0.4689674
Mg+2             0.0528171
Ca+2             0.0102821
K+               0.0102077
Sr+2             0.0000907
Cl-              charge 
SO4-2            0.0282352
HCO3-            0.0019663
F-               6.830e-05
Calcite          0 specific_surface_area 10 threshold 1e-6
Aragonite        0 specific_surface_area 10 threshold 1e-6
END