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SURFACE_SPECIES

This keyword data block is used to define a reaction and log K for each surface species, including surface master species. Normally, this data block is included in the database file and only additions and modifications are included in the input file. Surface species defined in Dzombak and Morel (1990) are defined in the default databases; the master species are Hfo_w and Hfo_s for the weak and strong binding sites of hydrous ferric oxide.

Annotation (Details)

Keyword Explanation
ReactionAssociation reaction for aqueous species.
log Klog K at 25 C for the reaction. Log K must be 0.0 for primary master species.

Surface Species

Reaction log K Database Reference Note
Hfo_sOH = Hfo_sOH 0.0 Phreeqc_default Phreeqc
Hfo_sOH + H+ = Hfo_sOH2+ 7.29 Phreeqc_default Phreeqc # = pKa1,int
Hfo_sOH = Hfo_sO- + H+ -8.93 Phreeqc_default Phreeqc # = -pKa2,int
Hfo_wOH = Hfo_wOH 0.0 Phreeqc_default Phreeqc
Hfo_wOH + H+ = Hfo_wOH2+ 7.29 Phreeqc_default Phreeqc # = pKa1,int
Hfo_wOH = Hfo_wO- + H+ -8.93 Phreeqc_default Phreeqc # = -pKa2,int
Hfo_sOH + Ca+2 = Hfo_sOHCa+2 4.97 Phreeqc_default Phreeqc
Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ -5.85 Phreeqc_default Phreeqc
Hfo_sOH + Sr+2 = Hfo_sOHSr+2 5.01 Phreeqc_default Phreeqc
Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ -6.58 Phreeqc_default Phreeqc
Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ -17.6 Phreeqc_default Phreeqc
Hfo_sOH + Ba+2 = Hfo_sOHBa+2 5.46 Phreeqc_default Phreeqc
Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ -7.2 Phreeqc_default Phreeqc # table 10.5
Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ 0.47 Phreeqc_default Phreeqc
Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ -2.91 Phreeqc_default Phreeqc
Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ 0.99 Phreeqc_default Phreeqc
Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ -1.99 Phreeqc_default Phreeqc
Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ 2.89 Phreeqc_default Phreeqc
Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ 0.6 Phreeqc_default Phreeqc # table 10.5
Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ 4.65 Phreeqc_default Phreeqc
Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ 0.3 Phreeqc_default Phreeqc # table 10.5
Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+ -4.6 Phreeqc_default Phreeqc
Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ -0.4 Phreeqc_default Phreeqc # table 10.5
Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ -3.5 Phreeqc_default Phreeqc # table 10.5
Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ -0.95 Phreeqc_default Phreeqc
Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ -2.98 Phreeqc_default Phreeqc
Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ -11.55 Phreeqc_default Phreeqc
Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O 31.29 Phreeqc_default Phreeqc
Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O 25.39 Phreeqc_default Phreeqc
Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O 17.72 Phreeqc_default Phreeqc
Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O 0.62 Phreeqc_default Phreeqc
Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O 7.78 Phreeqc_default Phreeqc
Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 0.79 Phreeqc_default Phreeqc
Hfo_wOH + F- + H+ = Hfo_wF + H2O 8.7 Phreeqc_default Phreeqc
Hfo_wOH + F- = Hfo_wOHF- 1.6 Phreeqc_default Phreeqc
Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O 12.56 Phreeqc_default Phreeqc
Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O 20.62 Phreeqc_default Phreeqc


References

RefID Reference
Phreeqc https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html

Databases

DatabaseID Notes
Phreeqc_default Default database from phreeqc-3.4.0-12927