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SOLUTION_SPECIES

This keyword data block is used to define chemical reaction, log K, and activity-coefficient parameters for each aqueous species. Normally, this data block is included in the database file and only additions and modifications are included in the input file.

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.
ΔHEnthalpy of reaction at 25 C for the reaction.
UnitsUnits for ΔH.
A1 - A5Parameters used in the analytical expression that defines log K as a function of temperature, e.g. log10K = A1 + A2*T + A3/T + A4*log10T + A5/T2, where T is in Kelvin.
Gamma (a) Debye-Huckel a, parameter a in the WATEQ activity-coefficient equation (Truesdell and Jones, 1974).
Gamma (b) Debye-Huckel b, parameter b in the WATEQ activity-coefficient equation (Truesdell and Jones, 1974).
CheckIf false, indicates the reaction equation should not be checked for charge and elemental balance.
Mole BalanceChemical formula defining the stoichiometry of the species.

Solution species

Reaction log K ΔH Units A1 A2 A3 A4 A5 Gamma (a) Gamma (b) Check Mole balance Database Reference Note
1Hg+2 + 1Edta-4 = HgEdta-2 23.22 -18.869 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
1Hg+2 + 1H+ + 1Edta-4 = HgHEdta- 26.85 -19.347 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
1Hg+2 + 2H+ + 1Edta-4 = HgH2Edta 29.15 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
Edta-4 = Edta-4 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB
Edta-4 + H+ = HEdta-3 11.24 -4.732 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
Edta-4 + 2 H+ = H2Edta-2 18.04 -8.365 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
Edta-4 + 3 H+ = H3Edta- 21.19 -6.668 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
Edta-4 + 4 H+ = H4Edta 23.42 -6.214 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
Edta-4 + 5 H+ = H5Edta+ 24.72 0.0 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
Edta-4 + 6 H+ = H6Edta+2 24.22 0.0 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46
Edta-4 + Na+ = NaEdta-3 2.8 -0.956 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default HU05
Edta-4 + K+ = KEdta-3 1.8 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default HU05
Edta-4 + Mg+2 = MgEdta-2 10.9 4.732 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default HU05
Edta-4 + Mg+2 + H+ = MgHEdta- 15.74 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default HU05
Edta-4 + Ca+2 = CaEdta-2 12.69 -5.306 kcal/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default HU05
Edta-4 + Ca+2 + H+ = CaHEdta- 16.23 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default HU05
H+ = H+ 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 9.0 0.0 False Phreeqc_default Phreeqc # The dw parameters are defined in ref. 3.
e- = e- 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
H2O = H2O 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Ca+2 = Ca+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.165 False Phreeqc_default Phreeqc # ref. 1
Mg+2 = Mg+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.5 0.2 False Phreeqc_default Phreeqc # ref. 1
Na+ = Na+ 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 4.08 0.082 False Phreeqc_default Phreeqc # halite solubility # ref. 1 # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45
K+ = K+ 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 3.5 0.015 False Phreeqc_default Phreeqc # ref. 1
Fe+2 = Fe+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 6.0 0.0 False Phreeqc_default Phreeqc # ref. 1
Mn+2 = Mn+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 6.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Al+3 = Al+3 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 9.0 0.0 False Phreeqc_default Phreeqc # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353.
Ba+2 = Ba+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 4.0 0.153 False Phreeqc_default Phreeqc # Barite solubility # ref. 1
Sr+2 = Sr+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.26 0.121 False Phreeqc_default Phreeqc # ref. 1
H4SiO4 = H4SiO4 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt + 2*H2O in a1
Cl- = Cl- 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 3.63 0.017 False Phreeqc_default Phreeqc # cf. pitzer.dat # ref. 1
CO3-2 = CO3-2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc # ref. 1
SO4-2 = SO4-2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 -0.04 False Phreeqc_default Phreeqc # ref. 1
NO3- = NO3- 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 3.0 0.0 False Phreeqc_default Phreeqc # ref. 1
H3BO3 = H3BO3 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
PO4-3 = PO4-3 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 4.0 0.0 False Phreeqc_default Phreeqc # ref. 2
F- = F- 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 3.5 0.0 False Phreeqc_default Phreeqc # ref. 2
Li+ = Li+ 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 6.0 0.0 False Phreeqc_default Phreeqc # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138
Br- = Br- 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 3.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Zn+2 = Zn+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cd+2 = Cd+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Pb+2 = Pb+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Cu+2 = Cu+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 6.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Hdg = Hdg 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # H2 # supcrt
Oxg = Oxg 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # O2 # supcrt
Mtg = Mtg 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # CH4 # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125
Ntg = Ntg 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # N2 # Pray et al., 1952, IEC 44. 1146
H2Sg = H2Sg 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # H2S # supcrt
H2O = OH- + H+ -14.0 0.0 kJ/mol 293.29227 0.1360833 -10576.913 -123.73158 0.0 3.5 0.0 False Phreeqc_default Phreeqc # ref. 1
2 H2O = O2 + 4 H+ + 4 e- -86.08 134.79 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
2 H+ + 2 e- = H2 -3.15 -1.759 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
CO3-2 + H+ = HCO3- 10.329 -3.561 kcal 107.8871 0.03252849 -5151.79 -38.92561 563713.9 5.4 0.0 False Phreeqc_default Phreeqc # ref. 1
CO3-2 + 2 H+ = CO2 + H2O 16.681 -5.738 kcal 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 0.0 0.0 False Phreeqc_default Phreeqc # ref. 1 + McBride et al. 2015, JCED 60, 171
2CO2 = (CO2)2 -1.8 0.0 kJ/mol 8.68 -0.0103 -2190.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # activity correction for CO2 solubility at high P, T
CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O 41.071 -61.039 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 1 + Hnedkovsky et al., 1996, JCT 28, 125
SO4-2 + H+ = HSO4- 1.988 3.85 kcal -56.889 0.006473 2307.9 19.8858 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 1
HS- = S-2 + H+ -12.918 12.1 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O 33.65 -60.14 kcal 0.0 0.0 0.0 0.0 0.0 3.5 0.0 False Phreeqc_default Phreeqc # supcrt
HS- + H+ = H2S 6.994 -5.3 kcal -11.17 0.02386 3279.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
H2Sg = HSg- + H+ -6.994 5.3 kcal 11.17 -0.02386 -3279.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
NO3- + 2 H+ + 2 e- = NO2- + H2O 28.57 -43.76 kcal 0.0 0.0 0.0 0.0 0.0 3.0 0.0 False Phreeqc_default Phreeqc # supcrt
2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O 207.08 -312.13 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # Pray et al., 1952, IEC 44. 1146
NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O 119.077 -187.055 kcal 0.0 0.0 0.0 0.0 0.0 2.5 0.0 False Phreeqc_default Phreeqc # ref. 1
NH4+ = NH3 + H+ -9.252 12.48 kcal 0.6322 -0.001225 -2835.76 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
NH4+ + SO4-2 = NH4SO4- 1.11 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
H3BO3 = H2BO3- + H+ -9.24 3.224 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
H3BO3 + F- = BF(OH)3- -0.4 1.85 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O 7.63 1.618 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O 13.67 -1.614 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O 20.28 -1.846 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
PO4-3 + H+ = HPO4-2 12.346 -3.53 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc # ref. 2
PO4-3 + 2 H+ = H2PO4- 19.553 -4.52 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc # ref. 2
PO4-3 + 3H+ = H3PO4 21.721 -10.1 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # log_k and delta_h from minteq.v4.dat, NIST46.3 # ref. 2
H+ + F- = HF 3.18 3.18 kcal -2.033 0.012645 429.01 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
H+ + 2 F- = HF2- 3.76 4.55 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Ca+2 + H2O = CaOH+ + H+ -12.78 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Ca+2 + CO3-2 = CaCO3 3.224 3.545 kcal -1228.732 -0.29944 35512.75 485.818 0.0 0.0 0.0 False Phreeqc_default Phreeqc # complexes: calc'd with the Pikal formula # supcrt
Ca+2 + CO3-2 + H+ = CaHCO3+ 11.435 -0.871 kcal 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 6.0 0.0 False Phreeqc_default Phreeqc # supcrt
Ca+2 + SO4-2 = CaSO4 2.25 1.325 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Ca+2 + HSO4- = CaHSO4+ 1.08 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Ca+2 + PO4-3 = CaPO4- 6.459 3.1 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Ca+2 + HPO4-2 = CaHPO4 2.739 3.3 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Ca+2 + H2PO4- = CaH2PO4+ 1.408 3.4 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc # -log_k 0.94 # -delta_h 4.120 kcal # -gamma 5.5 0.0 # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt
Mg+2 + H2O = MgOH+ + H+ -11.44 15.952 kcal 0.0 0.0 0.0 0.0 0.0 6.5 0.0 False Phreeqc_default Phreeqc
Mg+2 + CO3-2 = MgCO3 2.98 2.713 kcal 0.991 0.00667 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Mg+2 + H+ + CO3-2 = MgHCO3+ 11.399 -2.771 kcal 48.6721 0.03252849 -2614.335 -18.00263 563713.9 4.0 0.0 False Phreeqc_default Phreeqc # supcrt
Mg+2 + SO4-2 = MgSO4 2.37 4.55 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # est'd
Mg+2 + PO4-3 = MgPO4- 6.589 3.1 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Mg+2 + HPO4-2 = MgHPO4 2.87 3.3 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Mg+2 + H2PO4- = MgH2PO4+ 1.513 3.4 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Mg+2 + F- = MgF+ 1.82 3.2 kcal 0.0 0.0 0.0 0.0 0.0 4.5 0.0 False Phreeqc_default Phreeqc # supcrt
Na+ + OH- = NaOH -10.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # remove this complex
Na+ + CO3-2 = NaCO3- 1.27 8.91 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 1
Na+ + HCO3- = NaHCO3 -0.25 -1.0 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 1
Na+ + SO4-2 = NaSO4- 0.7 1.12 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc # ref. 1
Na+ + HPO4-2 = NaHPO4- 0.29 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc # ref. 2
Na+ + F- = NaF -0.24 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
K+ + SO4-2 = KSO4- 0.85 2.25 kcal 3.106 0.0 -673.6 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc # ref. 1
K+ + HPO4-2 = KHPO4- 0.29 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc # ref. 2
Fe+2 + H2O = FeOH+ + H+ -9.5 13.2 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + 3H2O = Fe(OH)3- + 3H+ -31.0 30.3 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + Cl- = FeCl+ 0.14 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + CO3-2 = FeCO3 4.38 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + HCO3- = FeHCO3+ 2.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + SO4-2 = FeSO4 2.25 3.23 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Fe+2 + HSO4- = FeHSO4+ 1.08 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + 2HS- = Fe(HS)2 8.95 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + 3HS- = Fe(HS)3- 10.987 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + HPO4-2 = FeHPO4 3.6 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 + H2PO4- = FeH2PO4+ 2.7 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Fe+2 + F- = FeF+ 1.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+2 = Fe+3 + e- -13.02 9.68 kcal 0.0 0.0 0.0 0.0 0.0 9.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + H2O = FeOH+2 + H+ -2.19 10.4 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ -5.67 17.1 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ -12.56 24.8 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ -21.6 31.9 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Fe+2 + 2H2O = Fe(OH)2 + 2H+ -20.57 28.565 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ -2.95 13.5 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ -6.3 14.3 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + Cl- = FeCl+2 1.48 5.6 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + 2 Cl- = FeCl2+ 2.13 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + 3 Cl- = FeCl3 1.13 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + SO4-2 = FeSO4+ 4.04 3.91 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + HSO4- = FeHSO4+2 2.48 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + 2 SO4-2 = Fe(SO4)2- 5.38 4.6 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + HPO4-2 = FeHPO4+ 5.43 5.76 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + H2PO4- = FeH2PO4+2 5.43 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Fe+3 + F- = FeF+2 6.2 2.7 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + 2 F- = FeF2+ 10.8 4.8 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Fe+3 + 3 F- = FeF3 14.0 5.4 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Mn+2 + H2O = MnOH+ + H+ -10.59 14.4 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Mn+2 + 3H2O = Mn(OH)3- + 3H+ -34.8 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Mn+2 + Cl- = MnCl+ 0.61 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Mn+2 + 2 Cl- = MnCl2 0.25 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Mn+2 + 3 Cl- = MnCl3- -0.31 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Mn+2 + CO3-2 = MnCO3 4.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Mn+2 + HCO3- = MnHCO3+ 1.95 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Mn+2 + SO4-2 = MnSO4 2.25 3.37 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Mn+2 + 2 NO3- = Mn(NO3)2 0.6 -0.396 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Mn+2 + F- = MnF+ 0.84 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Mn+2 = Mn+3 + e- -25.51 25.8 kcal 0.0 0.0 0.0 0.0 0.0 9.0 0.0 False Phreeqc_default Phreeqc
Al+3 + H2O = AlOH+2 + H+ -5.0 11.49 kcal -38.253 0.0 -656.27 14.327 0.0 5.4 0.0 False Phreeqc_default Phreeqc # ref. 2 and Barta and Hepler, 1986, Can. J. Chem. 64, 353.
Al+3 + 2 H2O = Al(OH)2+ + 2 H+ -10.1 26.9 kcal 88.5 0.0 -9391.6 -27.121 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Al+3 + 3 H2O = Al(OH)3 + 3 H+ -16.9 39.89 kcal 226.374 0.0 -18247.8 -73.597 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Al+3 + 4 H2O = Al(OH)4- + 4 H+ -22.7 42.3 kcal 51.578 0.0 -11168.9 -14.865 0.0 4.5 0.0 False Phreeqc_default Phreeqc
Al+3 + SO4-2 = AlSO4+ 3.5 2.29 kcal 0.0 0.0 0.0 0.0 0.0 4.5 0.0 False Phreeqc_default Phreeqc
Al+3 + 2SO4-2 = Al(SO4)2- 5.0 3.11 kcal 0.0 0.0 0.0 0.0 0.0 4.5 0.0 False Phreeqc_default Phreeqc
Al+3 + HSO4- = AlHSO4+2 0.46 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Al+3 + F- = AlF+2 7.0 1.06 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Al+3 + 2 F- = AlF2+ 12.7 1.98 kcal 0.0 0.0 0.0 0.0 0.0 5.4 0.0 False Phreeqc_default Phreeqc
Al+3 + 3 F- = AlF3 16.8 2.16 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Al+3 + 4 F- = AlF4- 19.4 2.2 kcal 0.0 0.0 0.0 0.0 0.0 4.5 0.0 False Phreeqc_default Phreeqc # log_k 20.6 # delta_h 1.840 kcal # log_k 20.6 # delta_h -1.670 kcal
H4SiO4 = H3SiO4- + H+ -9.83 6.12 kcal -302.3724 -0.050698 15669.69 108.18466 -1119669.0 4.0 0.0 False Phreeqc_default Phreeqc # supcrt + H2O in a1
H4SiO4 = H2SiO4-2 + 2 H+ -23.0 17.6 kcal -294.0184 -0.07265 11204.49 108.18466 -1119669.0 5.4 0.0 False Phreeqc_default Phreeqc
H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O 30.18 -16.26 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc # supcrt
Ba+2 + H2O = BaOH+ + H+ -13.47 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Ba+2 + CO3-2 = BaCO3 2.71 3.55 kcal 0.113 0.008721 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Ba+2 + HCO3- = BaHCO3+ 0.982 5.56 kcal -3.0938 0.013669 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Ba+2 + SO4-2 = BaSO4 2.7 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Sr+2 + H2O = SrOH+ + H+ -13.29 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Sr+2 + CO3-2 + H+ = SrHCO3+ 11.509 2.489 kcal 104.6391 0.04739549 -5151.79 -38.92561 563713.9 5.4 0.0 False Phreeqc_default Phreeqc
Sr+2 + CO3-2 = SrCO3 2.81 5.22 kcal -1.019 0.012826 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Sr+2 + SO4-2 = SrSO4 2.29 2.08 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # celestite solubility
Li+ + SO4-2 = LiSO4- 0.64 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + e- = Cu+ 2.72 1.65 kcal 0.0 0.0 0.0 0.0 0.0 2.5 0.0 False Phreeqc_default Phreeqc
Cu+ + 2Cl- = CuCl2- 5.5 -0.42 kcal 0.0 0.0 0.0 0.0 0.0 4.0 0.0 False Phreeqc_default Phreeqc
Cu+ + 3Cl- = CuCl3-2 5.7 0.26 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + CO3-2 = CuCO3 6.73 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + 2CO3-2 = Cu(CO3)2-2 9.83 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + HCO3- = CuHCO3+ 2.7 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + Cl- = CuCl+ 0.43 8.65 kcal 0.0 0.0 0.0 0.0 0.0 4.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cu+2 + 2Cl- = CuCl2 0.16 10.56 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cu+2 + 3Cl- = CuCl3- -2.29 13.69 kcal 0.0 0.0 0.0 0.0 0.0 4.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + 4Cl- = CuCl4-2 -4.59 17.78 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + F- = CuF+ 1.26 1.62 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + H2O = CuOH+ + H+ -8.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 4.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ -13.68 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ -26.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ -39.6 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ -10.359 17.539 kcal 2.497 0.0 -3833.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cu+2 + SO4-2 = CuSO4 2.31 1.22 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cu+2 + 3HS- = Cu(HS)3- 25.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + H2O = ZnOH+ + H+ -8.96 13.4 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ -16.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ -28.4 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ -41.2 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + Cl- = ZnCl+ 0.43 7.79 kcal 0.0 0.0 0.0 0.0 0.0 4.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Zn+2 + 2 Cl- = ZnCl2 0.45 8.5 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Zn+2 + 3Cl- = ZnCl3- 0.5 9.56 kcal 0.0 0.0 0.0 0.0 0.0 4.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Zn+2 + 4Cl- = ZnCl4-2 0.2 10.96 kcal 0.0 0.0 0.0 0.0 0.0 5.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Zn+2 + H2O + Cl- = ZnOHCl + H+ -7.48 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + 2HS- = Zn(HS)2 14.94 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + 3HS- = Zn(HS)3- 16.1 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + CO3-2 = ZnCO3 5.3 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + 2CO3-2 = Zn(CO3)2-2 9.63 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + HCO3- = ZnHCO3+ 2.1 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + SO4-2 = ZnSO4 2.37 1.36 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Zn+2 + 2SO4-2 = Zn(SO4)2-2 3.28 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Zn+2 + Br- = ZnBr+ -0.58 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + 2Br- = ZnBr2 -0.98 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Zn+2 + F- = ZnF+ 1.15 2.22 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + H2O = CdOH+ + H+ -10.08 13.1 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ -20.35 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ -33.3 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ -47.35 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
2Cd+2 + H2O = Cd2OH+3 + H+ -9.39 10.9 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + H2O + Cl- = CdOHCl + H+ -7.404 4.355 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + NO3- = CdNO3+ 0.4 -5.2 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cd+2 + Cl- = CdCl+ 1.98 0.59 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cd+2 + 2 Cl- = CdCl2 2.6 1.24 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cd+2 + 3 Cl- = CdCl3- 2.4 3.9 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cd+2 + CO3-2 = CdCO3 2.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 2CO3-2 = Cd(CO3)2-2 6.4 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + HCO3- = CdHCO3+ 1.5 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + SO4-2 = CdSO4 2.46 1.08 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cd+2 + 2SO4-2 = Cd(SO4)2-2 3.5 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # ref. 2
Cd+2 + Br- = CdBr+ 2.17 -0.81 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 2Br- = CdBr2 2.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + F- = CdF+ 1.1 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 2F- = CdF2 1.5 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + HS- = CdHS+ 10.17 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 2HS- = Cd(HS)2 16.53 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 3HS- = Cd(HS)3- 18.71 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Cd+2 + 4HS- = Cd(HS)4-2 20.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + H2O = PbOH+ + H+ -7.71 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ -17.12 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ -28.06 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ -39.7 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
2 Pb+2 + H2O = Pb2OH+3 + H+ -6.36 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + Cl- = PbCl+ 1.6 4.38 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Pb+2 + 2 Cl- = PbCl2 1.8 1.08 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Pb+2 + 3 Cl- = PbCl3- 1.7 2.17 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Pb+2 + 4 Cl- = PbCl4-2 1.38 3.53 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc # supcrt
Pb+2 + CO3-2 = PbCO3 7.24 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 2 CO3-2 = Pb(CO3)2-2 10.64 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + HCO3- = PbHCO3+ 2.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + SO4-2 = PbSO4 2.75 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 2 SO4-2 = Pb(SO4)2-2 3.47 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 2HS- = Pb(HS)2 15.27 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 3HS- = Pb(HS)3- 16.57 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ -23.88 26.5 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + NO3- = PbNO3+ 1.17 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + Br- = PbBr+ 1.77 2.88 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 2Br- = PbBr2 1.44 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + F- = PbF+ 1.25 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 2F- = PbF2 2.56 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 3F- = PbF3- 3.42 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Pb+2 + 4F- = PbF4-2 3.1 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Phreeqc_default Phreeqc
Hg+2 = Hg+2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB
Mmm+ = Mmm+ 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB
I- = I- 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB
Cys-2 = Cys-2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB
Psh-2 = Psh-2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB
Gsh-3 = Gsh-3 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB
1Hg+2 + 1H2O - 1H+ = HgOH+ -3.4 4.97 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 2H2O - 2H+ = Hg(OH)2 -5.98 12.309 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 3H2O - 3H+ = Hg(OH)3- -21.1 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
2Hg+2 + 1H2O - 1H+ = Hg2OH+3 -3.79 3.346 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
1Hg+2 + 1CO3-2 = HgCO3 11.48 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 2CO3-2 = Hg(CO3)2-2 15.042 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 1H+ + 1CO3-2 = HgHCO3+ 15.87 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 1H2O - 1H+ + 1CO3-2 = HgOHCO3- 5.34 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 1NO3- = HgNO3+ -0.217 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 2NO3- = Hg(NO3)2 -0.6 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 1PO4-3 = HgPO4- 14.78 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 1H+ + 1PO4-3 = HgHPO4 20.06 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 1SO4-- = HgSO4 2.48 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 2SO4-- = Hg(SO4)2-2 3.48 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 - 2H+ + 2HS- = HgS2-2 23.2 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default DR13 # [DR13]
1Hg+2 + 2HS- = Hg(SH)2 39.1 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default DR13 # [DR13]
1Hg+2 - 1H+ + 2HS- = HgS2H- 32.5 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default DR13 # [DR13]
1Hg+2 + 1Cl- + 1HS- = HgClSH 1.78 0.955 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SCB # [DY91] # [NIST46]
1Hg+2 + 1Cl- = HgCl+ 7.31 -5.09 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 2Cl- = HgCl2 14.0 -11.73 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 3Cl- = HgCl3- 14.925 -11.61 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 4Cl- = HgCl4-2 15.535 -14.12 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 1H2O - 1H+ + 1Cl- = HgOHCl 4.27 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PO05 # [PO05]
1Hg+2 + 1Br- = HgBr+ 9.82 -10.079 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 2Br- = HgBr2 18.29 -20.875 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 3Br- = HgBr3- 20.72 -23.67 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 4Br- = HgBr4-2 21.95 -27.228 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 1H2O - 1H+ + 1Br- = HgOHBr 6.45 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 1I- = HgI+ 13.62 -17.077 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 2I- = HgI2 24.84 -34.155 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 3I- = HgI3- 28.62 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Hg+2 + 4I- = HgI4-2 30.55 -43.231 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
Cys-2 + H+ = HCys- 10.87 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Cys-2 + 2H+ = H2Cys 19.38 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Cys-2 + 3H+ = H3Cys+ 21.67 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Psh-2 + H+ = HPsh- 10.89 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Psh-2 + 2H+ = H2Psh 18.93 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Psh-2 + 3H+ = H3Psh+ 20.69 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Gsh-3 + H+ = HGsh-2 10.27 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Gsh-3 + 2H+ = H2Gsh- 17.69 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Gsh-3 + 3H+ = H3Gsh 17.97 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Hg+2 + Cys-2 = HgCys 35.73 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + Cys-2 + H+ = HgHCys+ 43.83 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + Cys-2 + 2H+ = HgH2Cys+2 46.12 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Cys-2 = Hg(Cys)2-2 44.55 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Cys-2 + H+ = Hg(Cys)2H- 53.97 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Cys-2 + 2H+ = Hg(Cys)2H2 62.04 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Zn+2 + Cys-2 = ZnCys 9.22 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Zn+2 + 2Cys-2 = Zn(Cys)2-2 19.07 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Zn+2 + Cys-2 + H+ = ZnHCys+ 15.78 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Cd+2 + Cys-2 = CdCys 11.3 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Cd+2 + 2Cys-2 = Cd(Cys)2-2 17.92 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Ca+2 + Cys-2 = CaCys 2.78 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Al+3 + Cys-2 = AlCys+ 8.17 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Fe+3 + Cys-2 = FeCys+ 14.33 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Fe+2 + Cys-2 = FeCys 6.55 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Mg+2 + Cys-2 = MgCys 4.16 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Mn+2 + Cys-2 = MnCys 5.42 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Hg+2 + Psh-2 = HgPsh 35.22 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + Psh-2 + H+ = HgHPsh+ 42.5 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + Psh-2 + 2H+ = HgH2Psh+2 44.51 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Psh-2 = Hg(Psh)2-2 44.63 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Psh-2 + H+ = Hg(Psh)2H- 53.59 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Psh-2 + 2H+ = Hg(Psh)2H2 60.84 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + Gsh-3 = HgGsh- 33.54 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + Gsh-3 + H+ = HgHGsh 41.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + Gsh-3 + 2H+ = HgH2Gsh+ 44.78 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Gsh-3 = Hg(Gsh)2-4 41.33 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Gsh-3 + H+ = Hg(Gsh)2H-3 51.63 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Gsh-3 + 2H+ = Hg(Gsh)2H2-2 61.07 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
Hg+2 + 2Gsh-3 + 3H+ = Hg(Gsh)2H3- 65.58 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
1Mmm+ + 1H2O - 1H+ = MmmOH -4.567 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SA00 # [SA00]
2Mmm+ + 1H2O - 1H+ = (Mmm)2OH+ -2.159 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SA00 # [SA00]
1Mmm+ + 1H+ + 1PO4-3 = MmmHPO4- 17.806 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
1Mmm+ + 1SO4-2 = MmmSO4-1 2.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SA02 # [SA02]
1Mmm+ - 1H+ + 1HS- = MmmS- 4.11 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default LO07 # [LO07, DR13]
2Mmm+ - 1H+ + 1HS- = (Mmm)2S 23.52 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
3Mmm+ - 1H+ + 1HS- = (Mmm)3S+ 30.52 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default NIST46 # [NIST46]
1Mmm+ + 1F- = MmmF 1.71 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
1Mmm+ + 1Cl- = MmmCl 5.5 -5.971 kcal 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default SA02 # [SA02]
1Mmm+ + 1Br- = MmmBr 6.82 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
1Mmm+ + 1I- = MmmI 8.81 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97 # [PE97]
Mmm+ + Cys-2 = MmmCys- 17.21 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA11 # [CA11]
1Mmm+ + 1CO3-2 = MmmCO3- 6.1 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default LO07
1Mmm+ + 1CO3-2 + 1H+ = MmmHCO3 12.949 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default LO07
1Mmm+ + 1HS- = MmmSH 14.5 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default LO07
Tsh-2 = Tsh-2 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Tsh-2 + H+ = HTsh- 10.61 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Tsh-2 + 2H+ = H2Tsh 14.25 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Hg+2 + Tsh-2 = HgTsh 35.36 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97
Hg+2 + 2Tsh-2 = Hg(Tsh)2-2 41.36 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default PE97
Mmm+ + Cys-2 + H+ = MmmHCys 26.07 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Mmm+ + Gsh-3 = MmmGsh-2 16.66 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Mmm+ + Gsh-3 + H+ = MmmHGsh- 26.35 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Mmm+ + Gsh-3 + 2H+ = MmmH2Gsh 30.01 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Mmm+ + Tsh-2 = MmmTsh- 17.34 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Mmm+ + Tsh-2 + H+ = MmmHTsh 21.41 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default ZH04
Dmps-3 + H+ = HDmps-2 11.939 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA80
HDmps-2 + H+ = H2Dmps- 8.655 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA80
H2Dmps- + H+ = H3Dmps -2.6 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA80 pKa for MeSO3H
Dmps-3 = Dmps-3 0.0 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA80
Dmps-3 + Hg+2 = HgDmps-1 42.2 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA80
HgDmps- + Hg+2 = Hg2Dmps+ 10.9 0.0 kJ/mol 0.0 0.0 0.0 0.0 0.0 0.0 0.0 False Aquamer_default CA80


References

RefID Reference
Phreeqc https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html
SCB Scott C Brooks Contribution
CA11 Cardiano, P., Falcone, G., Foti, C. and Sammartano, S. (2011) Sequestration of Hg2+ by Some Biologically Important Thiols. Journal of Chemical & Engineering Data 56, 4741-4750.
DR13 Drott, A., Björn, E., Bouchet, S. and Skyllberg, U. (2013) Refining Thermodynamic Constants for Mercury(II)-Sulfides in Equilibrium with Metacinnabar at Sub-Micromolar Aqueous Sulfide Concentrations. Environ. Sci. Technol. 47, 4197-4203.
NIST46 NIST Standard Reference Database 46: Critically Selected Stability Constants of Metal Complexes Database
PE97 Pettit, L.D. and Powell, K.J. (1997) IUPAC Stability Constants Database: SC-Database for Windows, 3.0 ed. Academic Software, Yorks, UK.
PO05 Powell, K.J., Brown, P.L., Byrne, R.H., Gajda, T., Hefter, G., Sjoberg, S. and Wanner, H. (2005) Chemical speciation of environmentally significant heavy metals with inorganic ligands - Part 1: The Hg2+-Cl-, OH-, CO32-, SO42-, and PO43- aqueous systems - (IUPAC technical report). Pure Appl. Chem. 77, 739-800.
SA00 Sanz, J., Raposo, J.C. and Madariaga, J.M. (2000) Potentiometric study of the hydrolysis of (CH3)Hg+ in NaClO4: construction of a thermodynamic model. Applied Organometallic Chemistry 14, 499-506.
SA02 Sanz, J., Raposo, J.C., de Diego, A. and Madariaga, J.M. (2002) Complexation of CH3Hg+ with chloride, sulfate and carbonate in NaClO4: construction of thermodynamic models. Applied Organometallic Chemistry 16, 339-346.
LO07 Loux, N.T. (2007) An assessment of thermodynamic reaction constants for simulating aqueous environmental monomethylmercury speciation Chemical Speciation & Bioavailability 19, 183-196.
ZH04 Zhang, J.Z., Wang, F.Y., House, J.D. and Page, B. (2004) Thiols in wetland interstitial waters and their role in mercury and methylmercury speciation. Limnol. Oceanogr. 49, 2276-2286
CA80 Casas, J.S. and Jones, Mark, M., Mercury(II) complexes with sulfhydryl containing chelating agents: Stability constant inconsistencies and their resolution., Journal of Inorganic and Nuclear Chemistry., Vol. 42, pp. 99-102
HU05 Hummel, W., Anderegg, G., Rao, L., Puigdomènech, I., Tochiyama, O., 2005. Chemical Thermodynamics of Compounds and Complexes of U, Np, Pu, Am, Tc, Se, Ni, and Zr with Selected Organic Ligands. Elsevier, Amsterdam.

Databases

DatabaseID Notes
Phreeqc_default Default database from phreeqc-3.4.0-12927
Aquamer_default # Rev. 31 January 2019 / SCB