SOLUTION_MASTER_SPECIES E e- 0 0 0.0 H H3O+ -1 H 1.008 H(0) H2 0 H H(1) H3O+ -1 H O H2O 0 O 16.00 O(0) O2 0 O O(-2) H2O 0 O Ca Ca+2 0 Ca 40.08 Mg Mg+2 0 Mg 24.312 Na Na+ 0 Na 22.9898 K K+ 0 K 39.102 Fe Fe+2 0.0 Fe 55.847 Fe(+2) Fe+2 0.0 Fe Fe(+3) Fe+3 -2.0 Fe Al Al+3 0.0 Al 26.9815 Si H4SiO4 0.0 SiO2 28.0843 Cl Cl- 0 Cl 35.453 C CO2 0 HCO3 12.0111 C(4) CO2 0 HCO3 C(-4) CH4 0 CH4 S SO4-2 0 S 31.972 S(6) SO4-2 0 SO4 S(-2) HS- 1 S N NO3- 0 N 14.0067 N(+5) NO3- 0 N N(+3) NO2- 0 N N(0) N2 0 N N(-3) NH4+ 0 N P PO4-3 2.0 P 30.9738 F F- 0.0 F 18.9984 Br Br- 0.0 Br 79.904 Alkalinity CO2 0.0 50.05 50.05 SOLUTION_SPECIES H3O+ = H3O+ log_k 0.000 -gamma 9.0000 0.0000 e- = e- log_k 0.000 H2O = H2O log_k 0.000 Ca+2 = Ca+2 log_k 0.000 -gamma 5.0000 0.1650 Mg+2 = Mg+2 log_k 0.000 -gamma 5.5000 0.2000 Na+ = Na+ log_k 0.000 -gamma 4.0000 0.0750 K+ = K+ log_k 0.000 -gamma 3.5000 0.0150 Fe+2 = Fe+2 log_k 0.000 -gamma 6.0000 0.0000 Al+3 = Al+3 log_k 0.000 -gamma 9.0000 0.0000 H4SiO4 = H4SiO4 log_k 0.000 Cl- = Cl- log_k 0.000 -gamma 3.5000 0.0150 SO4-2 = SO4-2 log_k 0.000 -gamma 5.0000 -0.0400 NO3- = NO3- log_k 0.000 -gamma 3.0000 0.0000 PO4-3 = PO4-3 log_k 0.000 -gamma 4.0000 0.0000 F- = F- log_k 0.000 -gamma 3.5000 0.0000 Br- = Br- log_k 0.000 -gamma 3.0000 0.0000 2H2O = OH- + H3O+ log_k -14.000 delta_h 13.362 kcal -analytic -283.971 -0.05069842 13323.0 102.24447 -1119669.0 -gamma 3.5000 0.0000 6 H2O = O2 + 4 H3O+ + 4 e- log_k -86.08 delta_h 134.79 kcal 2 H3O+ + 2 e- = H2 + 2H2O log_k -3.15 delta_h -1.759 kcal CO2 + 2H2O = HCO3- + H3O+ log_k -6.352 delta_h 2.177 kcal -analytic -356.3094 -0.06092 21834.37 126.8339 -1684915 CO2 + 3H2O = CO3-2 + 2H3O+ log_k -16.681 delta_h 5.738 kcal -analytic -464.1965 -0.09344813 26986.16 165.75951 -2248628.9 CO3-2 + 10 H3O+ + 8 e- = CH4 + 13 H2O log_k 41.071 delta_h -61.039 kcal SO4-2 + H3O+ = HSO4- + H2O log_k 1.988 delta_h 3.85 kcal -analytic -56.889 0.006473 2307.9 19.8858 0.0 SO4-2 + 9 H3O+ + 8 e- = HS- + 13 H2O log_k 33.65 delta_h -60.140 kcal -gamma 3.5000 0.0000 HS- + H2O = S-2 + H3O+ log_k -12.918 delta_h 12.1 kcal -gamma 5.0000 0.0000 HS- + H3O+ = H2S + H2O log_k 6.994 delta_h -5.300 kcal -analytic -11.17 0.02386 3279.0 NO3- + 2 H3O+ + 2 e- = NO2- + 3H2O log_k 28.570 delta_h -43.760 kcal -gamma 3.0000 0.0000 2 NO3- + 12 H3O+ + 10e- = N2 + 18 H2O log_k 207.080 delta_h -312.130 kcal NH4+ + H2O = NH3 + H3O+ log_k -9.252 delta_h 12.48 kcal -analytic 0.6322 -0.001225 -2835.76 NO3- + 10 H3O+ + 8 e- = NH4+ + 13 H2O log_k 119.077 delta_h -187.055 kcal -gamma 2.5000 0.0000 NH4+ + SO4-2 = NH4SO4- log_k 1.11 PO4-3 + H3O+ = HPO4-2 + H2O log_k 12.346 delta_h -3.530 kcal -gamma 4.0000 0.0000 PO4-3 + 2 H3O+ = H2PO4- + 2H2O log_k 19.553 delta_h -4.520 kcal -gamma 4.5000 0.0000 H3O+ + F- = HF + H2O log_k 3.18 delta_h 3.18 kcal -analytic -2.033 0.012645 429.01 H3O+ + 2 F- = HF2- + H2O log_k 3.760 delta_h 4.550 kcal Ca+2 + OH- = CaOH+ log_k -12.780 Ca+2 + CO3-2 = CaCO3 log_k 3.224 delta_h 3.545 kcal -analytic -1228.732 -0.299440 35512.75 485.818 #Ca+2 + HCO3- = CaHCO3+ Ca+2 + CO3-2 + H3O+ = CaHCO3+ + H2O log_k 11.435 delta_h -0.871 kcal -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 -gamma 5.4000 0.0000 Ca+2 + SO4-2 = CaSO4 log_k 2.300 delta_h 1.650 kcal Ca+2 + HSO4- = CaHSO4+ log_k 1.08 Ca+2 + PO4-3 = CaPO4- log_k 6.459 delta_h 3.100 kcal Ca+2 + HPO4-2 = CaHPO4 log_k 2.739 delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ log_k 1.408 delta_h 3.4 kcal Ca+2 + F- = CaF+ log_k 0.940 delta_h 4.120 kcal Mg+2 + OH- = MgOH+ log_k -11.440 delta_h 15.952 kcal Mg+2 + CO3-2 = MgCO3 log_k 2.98 delta_h 2.713 kcal -analytic 0.9910 0.00667 Mg+2 + H3O+ + CO3-2 = MgHCO3+ + H2O log_k 11.399 delta_h -2.771 kcal -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 Mg+2 + SO4-2 = MgSO4 log_k 2.370 delta_h 4.550 kcal Mg+2 + PO4-3 = MgPO4- log_k 6.589 delta_h 3.100 kcal Mg+2 + HPO4-2 = MgHPO4 log_k 2.87 delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ log_k 1.513 delta_h 3.4 kcal Mg+2 + F- = MgF+ log_k 1.820 delta_h 3.200 kcal Na+ + OH- = NaOH log_k -14.180 Na+ + CO3-2 = NaCO3- log_k 1.270 delta_h 8.910 kcal Na+ + HCO3- = NaHCO3 log_k -0.25 Na+ + SO4-2 = NaSO4- log_k 0.700 delta_h 1.120 kcal Na+ + HPO4-2 = NaHPO4- log_k 0.29 Na+ + F- = NaF log_k -0.240 K+ + OH- = KOH log_k -14.460 K+ + SO4-2 = KSO4- log_k 0.850 delta_h 2.250 kcal -analytic 3.106 0.0 -673.6 K+ + HPO4-2 = KHPO4- log_k 0.29 Fe+2 + 2H2O = FeOH+ + H3O+ log_k -9.500 delta_h 13.200 kcal Fe+2 + Cl- = FeCl+ log_k 0.140 Fe+2 + CO3-2 = FeCO3 log_k 4.380 Fe+2 + HCO3- = FeHCO3+ log_k 2.0 Fe+2 + SO4-2 = FeSO4 log_k 2.250 delta_h 3.230 kcal Fe+2 + HSO4- = FeHSO4+ log_k 1.08 Fe+2 + 2HS- = Fe(HS)2 log_k 8.95 Fe+2 + 3HS- = Fe(HS)3- log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ log_k 2.7 Fe+2 + F- = FeF+ log_k 1.000 Fe+2 = Fe+3 + e- log_k -13.020 delta_h 9.680 kcal -gamma 9.0000 0.0000 Fe+3 + 2H2O = FeOH+2 + H3O+ log_k -2.19 delta_h 10.4 kcal Fe+3 + 4H2O = Fe(OH)2+ + 2 H3O+ log_k -5.67 delta_h 17.1 kcal Fe+3 + 6 H2O = Fe(OH)3 + 3 H3O+ log_k -12.56 delta_h 24.8 kcal Fe+3 + 8 H2O = Fe(OH)4- + 4 H3O+ log_k -21.6 delta_h 31.9 kcal 2 Fe+3 + 4 H2O = Fe2(OH)2+4 + 2 H3O+ log_k -2.95 delta_h 13.5 kcal 3 Fe+3 + 8 H2O = Fe3(OH)4+5 + 4 H3O+ log_k -6.3 delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 log_k 1.48 delta_h 5.6 kcal Fe+3 + 2 Cl- = FeCl2+ log_k 2.13 Fe+3 + 3 Cl- = FeCl3 log_k 1.13 Fe+3 + SO4-2 = FeSO4+ log_k 4.04 delta_h 3.91 kcal Fe+3 + HSO4- = FeHSO4+2 log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- log_k 5.38 delta_h 4.60 kcal Fe+3 + HPO4-2 = FeHPO4+ log_k 5.43 delta_h 5.76 kcal Fe+3 + H2PO4- = FeH2PO4+2 log_k 5.43 Fe+3 + F- = FeF+2 log_k 6.2 delta_h 2.7 kcal Fe+3 + 2 F- = FeF2+ log_k 10.8 delta_h 4.8 kcal Fe+3 + 3 F- = FeF3 log_k 14.0 delta_h 5.4 kcal Al+3 + 2H2O = AlOH+2 + H3O+ log_k -5.00 delta_h 11.49 kcal -analytic -38.253 0.0 -656.27 14.327 Al+3 + 4 H2O = Al(OH)2+ + 2 H3O+ log_k -10.1 delta_h 26.90 kcal -analytic 88.500 0.0 -9391.6 -27.121 Al+3 + 6 H2O = Al(OH)3 + 3 H3O+ log_k -16.9 delta_h 39.89 kcal -analytic 226.374 0.0 -18247.8 -73.597 Al+3 + 8 H2O = Al(OH)4- + 4 H3O+ log_k -22.7 delta_h 42.30 kcal -analytic 51.578 0.0 -11168.9 -14.865 Al+3 + SO4-2 = AlSO4+ log_k 3.5 delta_h 2.29 kcal Al+3 + 2SO4-2 = Al(SO4)2- log_k 5.0 delta_h 3.11 kcal Al+3 + HSO4- = AlHSO4+2 log_k 0.46 Al+3 + F- = AlF+2 log_k 7.000 delta_h 1.060 kcal Al+3 + 2 F- = AlF2+ log_k 12.700 delta_h 1.980 kcal Al+3 + 3 F- = AlF3 log_k 16.800 delta_h 2.160 kcal Al+3 + 4 F- = AlF4- log_k 19.400 delta_h 2.200 kcal Al+3 + 5 F- = AlF5-2 log_k 20.600 delta_h 1.840 kcal Al+3 + 6 F- = AlF6-3 log_k 20.600 delta_h -1.670 kcal H4SiO4 + H2O = H3SiO4- + H3O+ log_k -9.83 delta_h 6.12 kcal -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 H4SiO4 + 2H2O= H2SiO4-2 + 2 H3O+ log_k -23.0 delta_h 17.6 kcal -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 H4SiO4 + 4 H3O+ + 6 F- = SiF6-2 + 8 H2O log_k 30.180 delta_h -16.260 kcal PHASES Calcite CaCO3 = CO3-2 + Ca+2 log_k -8.480 delta_h -2.297 kcal -analytic -171.9065 -0.077993 2839.319 71.595 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 log_k -17.090 delta_h -9.436 kcal Siderite FeCO3 = Fe+2 + CO3-2 log_k -10.890 delta_h -2.480 kcal Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O log_k -4.580 delta_h -0.109 kcal -analytic 68.2401 0.0 -3221.51 -25.0627 Anhydrite CaSO4 = Ca+2 + SO4-2 log_k -4.360 delta_h -1.710 kcal -analytic 197.52 0.0 -8669.8 -69.835 Hydroxyapatite Ca5(PO4)3OH + 4 H3O+ = 5H2O + 3 HPO4-2 + 5 Ca+2 log_k -3.421 delta_h -36.155 kcal Fluorite CaF2 = Ca+2 + 2 F- log_k -10.600 delta_h 4.690 kcal -analytic 66.348 0.0 -4298.2 -25.271 SiO2(a) SiO2 + 2 H2O = H4SiO4 log_k -2.710 delta_h 3.340 kcal -analytic -0.26 0.0 -731.0 Chalcedony SiO2 + 2 H2O = H4SiO4 log_k -3.550 delta_h 4.720 kcal -analytic -0.09 0.0 -1032.0 Quartz SiO2 + 2 H2O = H4SiO4 log_k -3.980 delta_h 5.990 kcal -analytic 0.41 0.0 -1309.0 Gibbsite Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O log_k 8.110 delta_h -22.800 kcal Al(OH)3(a) Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O log_k 10.800 delta_h -26.500 kcal Kaolinite Al2Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 2 Al+3 log_k 7.435 delta_h -35.300 kcal Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 log_k -18.002 delta_h 25.896 kcal Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 log_k -19.714 delta_h 11.580 kcal K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 log_k -20.573 delta_h 30.820 kcal K-mica KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10H2O log_k 12.703 delta_h -59.376 kcal Chlorite(14A) Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 22H2O log_k 68.38 delta_h -151.494 kcal Ca-Montmorillonite Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+ log_k -45.027 delta_h 58.373 kcal Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6H2O log_k 21.399 delta_h -46.352 kcal Illite K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H3O+ log_k -40.267 delta_h 54.684 kcal Chrysotile Mg3Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 3 Mg+2 log_k 32.200 delta_h -46.800 kcal -analytic 13.248 0.0 10217.1 -6.1894 Sepiolite Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O log_k 15.760 delta_h -10.700 kcal Sepiolite(d) Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O log_k 18.660 Hematite Fe2O3 + 6 H3O+ = 2 Fe+3 + 9 H2O log_k -4.008 delta_h -30.845 kcal Goethite FeOOH + 3 H3O+ = Fe+3 + 5 H2O log_k -1.000 delta_h -14.48 kcal Fe(OH)3(a) Fe(OH)3 + 3 H3O+ = Fe+3 + 6 H2O log_k 4.891 Pyrite FeS2 + 2H3O+ + 2e- = Fe+2 + 2HS- + 2H2O log_k -18.479 delta_h 11.300 kcal FeS(ppt) FeS + H3O+ = Fe+2 + HS- + H2O log_k -3.915 Mackinawite FeS + H3O+ = Fe+2 + HS- + H2O log_k -4.648 Sulfur S + 2 H3O+ + 2e- = H2S + 2H2O log_k 4.882 delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O log_k -36.000 Halite NaCl = Na+ + Cl- log_k 1.582 delta_h 0.918 kcal CO2(g) CO2(g) = CO2 log_k -1.468 delta_h -4.776 kcal -analytic 108.3865 0.01985076 -6919.53 -40.45154 669365.0 O2(g) O2 = O2 # log_k -2.960 # delta_h -1.844 kcal # log K from llnl.dat Dec 8, 2010 log_k -2.8983 -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 H2(g) H2 = H2 log_k -3.150 delta_h -1.759 kcal H2O(g) H2O = H2O log_k 1.51 delta_h -44.03 kJ N2(g) N2 = N2 log_k -3.260 delta_h -1.358 kcal H2S(g) H2S = H2S log_k -0.997 delta_h -4.570 kcal CH4(g) CH4 = CH4 log_k -2.860 delta_h -3.373 kcal NH3(g) NH3 = NH3 log_k 1.770 delta_h -8.170 kcal Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 log_k -2.209 delta_h 4.910 kcal -analytic 1.447 -0.004153 0.0 0.0 -214949.0 Alunite KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12H2O log_k -1.400 delta_h -50.250 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H3O+ = 3 Fe+3 + 12 H2O + K+ + 2 SO4-2 log_k -9.210 delta_h -31.280 kcal EXCHANGE_MASTER_SPECIES X X- EXCHANGE_SPECIES X- = X- log_k 0.0 Na+ + X- = NaX log_k 0.0 -gamma 4.0 0.075 K+ + X- = KX log_k 0.7 -gamma 3.5 0.015 delta_h -4.3 # Jardine & Sparks, 1984 NH4+ + X- = NH4X log_k 0.6 -gamma 2.5 0.0 delta_h -2.4 # Laudelout et al., 1968 Ca+2 + 2X- = CaX2 log_k 0.8 -gamma 5.0 0.165 delta_h 7.2 # Van Bladel & Gheyl, 1980 Mg+2 + 2X- = MgX2 log_k 0.6 -gamma 5.5 0.2 delta_h 7.4 # Laudelout et al., 1968 Fe+2 + 2X- = FeX2 log_k 0.44 -gamma 6.0 0.0 Al+3 + 3X- = AlX3 log_k 0.41 -gamma 9.0 0.0 AlOH+2 + 2X- = AlOHX2 log_k 0.89 -gamma 0.0 0.0 SURFACE_MASTER_SPECIES Hfo_s Hfo_sOH Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 # # # Acid-base data from table 5.7 # # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH log_k 0.0 Hfo_sOH + H3O+ = Hfo_sOH2+ + H2O log_k 7.29 # = pKa1,int Hfo_sOH + H2O = Hfo_sO- + H3O+ log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH log_k 0.0 Hfo_wOH + H3O+ = Hfo_wOH2+ + H2O log_k 7.29 # = pKa1,int Hfo_wOH + H2O = Hfo_wO- + H3O+ log_k -8.93 # = -pKa2,int ############################################### # CATIONS # ############################################### # # Cations from table 10.1 or 10.5 # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 log_k 4.97 Hfo_wOH + Ca+2 + H2O = Hfo_wOCa+ + H3O+ log_k -5.85 # # Derived constants table 10.5 # # Magnesium Hfo_wOH + Mg+2 + H2O = Hfo_wOMg+ + H3O+ log_k -4.6 # Iron # Hfo_sOH + Fe+2 + H2O = Hfo_sOFe+ + H3O+ # log_k 0.7 # LFER using table 10.5 # Hfo_wOH + Fe+2 + H2O = Hfo_wOFe+ + H3O+ # log_k -2.5 # LFER using table 10.5 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 + H2O = Hfo_sOFe+ + H3O+ log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 + H2O = Hfo_wOFe+ + H3O+ log_k -2.98 Hfo_wOH + Fe+2 + 3H2O = Hfo_wOFeOH + 2H3O+ log_k -11.55 ############################################### # ANIONS # ############################################### # # Anions from table 10.6 # # Phosphate Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4H2O log_k 31.29 Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3H2O log_k 25.39 Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2H2O log_k 17.72 # # Anions from table 10.7 # # Sulfate Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2H2O log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H3O+ = Hfo_wF + 2H2O log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # # Hfo_wOH + CO3-2 + H3O+ = Hfo_wCO3- + 2H2O # log_k 12.56 # # Hfo_wOH + CO3-2 + 2 H3O+= Hfo_wHCO3 + 3 H2O # log_k 20.62 # 9/19/96 # Added analytical expression for H2S, NH3, KSO4. # Added species CaHSO4+. # Added delta H for Goethite. # # Begin Isotope definitions # ############################################################################################### SOLUTION_MASTER_SPECIES ############################################################################################### D D2O 0 D 2 D(1) D2O 0 D D(0) HD 0 D T HTO 0 T 3 T(1) HTO 0 T T(0) HT 0 T [18O] H2[18O] 0 [18O] 18 [18O](-2) H2[18O] 0 [18O] 18 [18O](0) O[18O] 0 [18O] 18 [13C] [13C]O2 0 [13C] 13 [13C](4) [13C]O2 0 [13C] [13C](-4) [13C]H4 0 [13C] [14C] [14C]O2 0 [14C] 14 [14C](4) [14C]O2 0 [14C] [14C](-4) [14C]H4 0 [14C] [34S] [34S]O4-2 0 [34S] 33.967 [34S](6) [34S]O4-2 0 [34S] [34S](-2) H[34S]- 0 [34S] [15N] [15N]O3- 0 [15N] 15.00010897312 [15N](5) [15N]O3- 0 [15N] [15N](3) [15N]O2- 0 [15N] [15N](0) N[15N] 0 [15N] [15N](-3) [15N]H4+ 0 [15N] ############################################################################################### ISOTOPES ############################################################################################### H -isotope D permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) -isotope T TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 H(0) -isotope D(0) permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) -isotope T(0) TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 # 1 THO in 10^18 H2O # -isotope T pCi/L 3.125e-18 # #1e-18/3.2 = T/mol H2O C -isotope [13C] permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite -isotope [14C] pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon C(4) -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) C(-4) -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 14C calculation # # lambda = ln(2)/(5730 yrs * 3.15576e7 sec/yr) # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23 # mole C/g C NBS Oxalic Acid with 13C = -19.3: 0.08325783313 # mole 14C/mol Modern Carbon mol/g carbon/ (mole C/g C) = 1.175887709e-12 # O -isotope [18O] permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) O(0) -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) S # Coplen and others, 2002 -isotope [34S] permil 0.04416264 # VCDT, Vienna Canyon Diablo Troilite -isotope [34S](6) permil 0.04416264 # VCDT -isotope [34S](-2) permil 0.04416264 # VCDT S(6) -isotope [34S](6) permil 0.04416264 # VCDT S(-2) -isotope [34S](-2) permil 0.04416264 # VCDT N # Coplen and others, 2002 -isotope [15N] permil 0.003676867 # Air -isotope [15N](5) permil 0.003676867 # Air -isotope [15N](3) permil 0.003676867 # Air -isotope [15N](0) permil 0.003676867 # Air -isotope [15N](-3) permil 0.003676867 # Air N(5) -isotope [15N](5) permil 0.003676867 # Air N(3) -isotope [15N](3) permil 0.003676867 # Air N(0) -isotope [15N](0) permil 0.003676867 # Air N(-3) -isotope [15N](-3) permil 0.003676867 # Air ############################################################################################### ISOTOPE_RATIOS ############################################################################################### # # Total aqueous ratios # R(D) D R(T) T R(18O) [18O] R(13C) [13C] R(14C) [14C] R(15N) [15N] R(34S) [34S] # H2O(l) ratios R(D)_H2O(l) D R(T)_H2O(l) T R(18O)_H2O(l) [18O] # OH- ratios R(D)_OH- D R(T)_OH- T R(18O)_OH- [18O] # H3O+ ratios R(D)_H3O+ D R(T)_H3O+ T R(18O)_H3O+ [18O] # O2(aq) ratios R(18O)_O2(aq) [18O] # H2(aq) ratios R(D)_H2(aq) D R(T)_H2(aq) T # CO2(aq) ratios R(13C)_CO2(aq) [13C] R(14C)_CO2(aq) [14C] R(18O)_CO2(aq) [18O] # HCO3- ratios R(D)_HCO3- D R(T)_HCO3- T R(18O)_HCO3- [18O] R(13C)_HCO3- [13C] R(14C)_HCO3- [14C] # CO3-2 ratios R(18O)_CO3-2 [18O] R(13C)_CO3-2 [13C] R(14C)_CO3-2 [14C] # CH4(aq) ratios R(D)_CH4(aq) D R(T)_CH4(aq) T R(13C)_CH4(aq) [13C] R(14C)_CH4(aq) [14C] # SO4-2 ratios R(34S)_SO4-2 [34S] # HSO4- ratios R(D)_HSO4- D R(T)_HSO4- T R(34S)_HSO4- [34S] # S-2 ratios R(34S)_S-2 [34S] # HS- ratios R(D)_HS- D R(T)_HS- T R(34S)_HS- [34S] # H2S ratios R(D)_H2S(aq) D R(T)_H2S(aq) T R(34S)_H2S(aq) [34S] # NO3- ratios R(15N)_NO3- [15N] # NO2- ratios R(15N)_NO2- [15N] # N2(aq) ratios R(15N)_N2(aq) [15N] # NH3(aq) ratios R(D)_NH3(aq) D R(T)_NH3(aq) T R(15N)_NH3(aq) [15N] # NH4+ ratios R(D)_NH4+ D R(T)_NH4+ T R(15N)_NH4+ [15N] # # Ratios for minerals and gases # # H2O(g) ratios R(D)_H2O(g) D R(T)_H2O(g) T R(18O)_H2O(g) [18O] # O2(g) ratios R(18O)_O2(g) [18O] # H2(g) ratios R(D)_H2(g) D R(T)_H2(g) T # CO2(g) ratios R(18O)_CO2(g) [18O] R(13C)_CO2(g) [13C] R(14C)_CO2(g) [14C] # Calcite ratios R(18O)_Calcite [18O] R(13C)_Calcite [13C] R(14C)_Calcite [14C] # Pyrite ratios R(34S)_Pyrite [34S] # CH4(g) ratios R(D)_CH4(g) D R(T)_CH4(g) T R(13C)_CH4(g) [13C] R(14C)_CH4(g) [14C] # H2S(g) ratios R(D)_H2S(g) D R(T)_H2S(g) T R(34S)_H2S(g) [34S] # Gypsum ratios R(34S)_Gypsum [34S] # Anhydrite ratios R(34S)_Anhydrite [34S] # N2(g) ratios R(15N)_N2(g) [15N] # NH3(g) ratios R(D)_NH3(g) D R(T)_NH3(g) T R(15N)_NH3(g) [15N] ISOTOPE_ALPHAS # OH- Alpha_D_OH-/H2O(l) Log_alpha_D_OH-/H2O(l) Alpha_T_OH-/H2O(l) Log_alpha_T_OH-/H2O(l) Alpha_18O_OH-/H2O(l) Log_alpha_18O_OH-/H2O(l) # H3O+ Alpha_D_H3O+/H2O(l) Log_alpha_D_H3O+/H2O(l) Alpha_T_H3O+/H2O(l) Log_alpha_T_H3O+/H2O(l) Alpha_18O_H3O+/H2O(l) Log_alpha_18O_H3O+/H2O(l) # O2(aq) Alpha_18O_O2(aq)/H2O(l) Log_alpha_18O_O2(aq)/H2O(l) # H2(aq) Alpha_D_H2(aq)/H2O(l) Log_alpha_D_H2(aq)/H2O(l) Alpha_T_H2(aq)/H2O(l) Log_alpha_T_H2(aq)/H2O(l) # CO2(aq) Alpha_18O_CO2(aq)/H2O(l) Log_alpha_18O_CO2(aq)/H2O(l) Alpha_13C_CO2(aq)/CO2(g) Log_alpha_13C_CO2(aq)/CO2(g) Alpha_14C_CO2(aq)/CO2(g) Log_alpha_14C_CO2(aq)/CO2(g) # HCO3- Alpha_D_HCO3-/H2O(l) Log_alpha_D_HCO3-/H2O(l) Alpha_T_HCO3-/H2O(l) Log_alpha_T_HCO3-/H2O(l) Alpha_18O_HCO3-/H2O(l) Log_alpha_18O_HCO3-/H2O(l) Alpha_13C_HCO3-/CO2(aq) Log_alpha_13C_HCO3-/CO2(aq) Alpha_14C_HCO3-/CO2(aq) Log_alpha_14C_HCO3-/CO2(aq) Alpha_13C_HCO3-/CO2(g) Log_alpha_13C_HCO3-/CO2(g) Alpha_14C_HCO3-/CO2(g) Log_alpha_14C_HCO3-/CO2(g) # CO3-2 Alpha_18O_CO3-2/H2O(l) Log_alpha_18O_CO3-2/H2O(l) Alpha_13C_CO3-2/CO2(aq) Log_alpha_13C_CO3-2/CO2(aq) Alpha_14C_CO3-2/CO2(aq) Log_alpha_14C_CO3-2/CO2(aq) Alpha_13C_CO3-2/CO2(g) Log_alpha_13C_CO3-2/CO2(g) Alpha_14C_CO3-2/CO2(g) Log_alpha_14C_CO3-2/CO2(g) # CH4(aq) Alpha_D_CH4(aq)/H2O(l) Log_alpha_D_CH4(aq)/H2O(l) Alpha_T_CH4(aq)/H2O(l) Log_alpha_T_CH4(aq)/H2O(l) Alpha_13C_CH4(aq)/CO2(aq) Log_alpha_13C_CH4(aq)/CO2(aq) Alpha_14C_CH4(aq)/CO2(aq) Log_alpha_14C_CH4(aq)/CO2(aq) # HSO4- Alpha_D_HSO4-/H2O(l) Log_alpha_D_HSO4-/H2O(l) Alpha_T_HSO4-/H2O(l) Log_alpha_T_HSO4-/H2O(l) Alpha_34S_HSO4-/SO4-2 Log_alpha_34S_HSO4-/SO4-2 # S-2 Alpha_34S_S-2/HS- Log_alpha_34S_S-2/HS- # HS- Alpha_D_HS-/H2O(l) Log_alpha_D_HS-/H2O(l) Alpha_T_HS-/H2O(l) Log_alpha_T_HS-/H2O(l) Alpha_34S_HS-/SO4-2 Log_alpha_34S_HS-/SO4-2 # H2S Alpha_D_H2S(aq)/H2O(l) Log_alpha_D_H2S(aq)/H2O(l) Alpha_T_H2S(aq)/H2O(l) Log_alpha_T_H2S(aq)/H2O(l) Alpha_34S_H2S(aq)/HS- Log_alpha_34S_H2S(aq)/HS- # NO2- Alpha_15N_NO2-/NO3- Log_alpha_15N_NO2-/NO3- # N2(aq) Alpha_15N_N2(aq)/NO3- Log_alpha_15N_N2(aq)/NO3- # NH3(aq) Alpha_D_NH3(aq)/H2O(l) Log_alpha_D_NH3(aq)/H2O(l) Alpha_T_NH3(aq)/H2O(l) Log_alpha_T_NH3(aq)/H2O(l) Alpha_15N_NH3(aq)/NO3- Log_alpha_15N_NH3(aq)/NO3- # NH4+ Alpha_D_NH4+/H2O(l) Log_alpha_D_NH4+/H2O(l) Alpha_T_NH4+/H2O(l) Log_alpha_T_NH4+/H2O(l) Alpha_15N_NH4+/NH3(aq) Log_alpha_15N_NH4+/NH3(aq) # H2O(g) Alpha_D_H2O(g)/H2O(l) Log_alpha_D_H2O(g)/H2O(l) Alpha_T_H2O(g)/H2O(l) Log_alpha_T_H2O(g)/H2O(l) Alpha_18O_H2O(g)/H2O(l) Log_alpha_18O_H2O(g)/H2O(l) # O2(g) Alpha_18O_O2(g)/H2O(l) Log_alpha_18O_O2(g)/H2O(l) #? # H2(g) Alpha_D_H2(g)/H2O(l) Log_alpha_D_H2(g)/H2O(l) #? Alpha_T_H2(g)/H2O(l) Log_alpha_T_H2(g)/H2O(l) #? # CO2(g) Alpha_18O_CO2(g)/H2O(l) Log_alpha_18O_CO2(g)/H2O(l) Alpha_13C_CO2(g)/CO2(aq) Log_alpha_13C_CO2(g)/CO2(aq) Alpha_14C_CO2(g)/CO2(aq) Log_alpha_14C_CO2(g)/CO2(aq) # Calcite Alpha_18O_Calcite/H2O(l) Log_alpha_18O_Calcite/H2O(l) Alpha_13C_Calcite/CO2(aq) Log_alpha_13C_Calcite/CO2(aq) Alpha_13C_Calcite/CO2(g) Log_alpha_13C_Calcite/CO2(g) Alpha_14C_Calcite/CO2(aq) Log_alpha_14C_Calcite/CO2(aq) Alpha_14C_Calcite/CO2(g) Log_alpha_14C_Calcite/CO2(g) # Pyrite Alpha_34S_Pyrite/HS- Log_alpha_34S_Pyrite/HS- # CH4(g) Alpha_D_CH4(g)/H2O(l) Log_alpha_D_CH4(g)/H2O(l) Alpha_T_CH4(g)/H2O(l) Log_alpha_T_CH4(g)/H2O(l) Alpha_13C_CH4(g)/CO2(aq) Log_alpha_13C_CH4(g)/CO2(aq) #? Alpha_14C_CH4(g)/CO2(aq) Log_alpha_14C_CH4(g)/CO2(aq) #? # H2S(g) Alpha_D_H2S(g)/H2S(aq) Log_alpha_D_H2S(g)/H2S(aq) Alpha_T_H2S(g)/H2S(aq) Log_alpha_T_H2S(g)/H2S(aq) Alpha_34S_H2S(g)/H2S(aq) Log_alpha_34S_H2S(g)/H2S(aq) # Gypsum Alpha_34S_Gypsum/SO4-2 Log_alpha_34S_Gypsum/SO4-2 # Anhydrite Alpha_34S_Anhydrite/SO4-2 Log_alpha_34S_Anhydrite/SO4-2 # N2(g) Alpha_15N_N2(g)/N2(aq) Log_alpha_15N_N2(g)/N2(aq) # NH3(g) Alpha_D_NH3(g)/H2O(l) Log_alpha_D_NH3(g)/H2O(l) #Alpha_T_NH3(g)/H2O(l) Log_alpha_T_NH3(g)/H2O(l) Alpha_15N_NH3(g)/NH3(aq) Log_alpha_15N_NH3(g)/NH3(aq) NAMED_EXPRESSIONS # # OH- fractionation factors # Log_alpha_D_OH-/H2O(l) # 1000ln(alpha(25C)) = -1435 # 13.5 C -ln_alpha1000 -1435.0 Log_alpha_T_OH-/H2O(l) # 1000ln(alpha(25C)) = -2870 # 13.5 C -ln_alpha1000 -2870.0 Log_alpha_18O_OH-/H2O(l) # 1000ln(alpha(25C)) = -37.8 # 25 C -ln_alpha1000 -37.777 # # H3O- fractionation factors # Log_alpha_D_H3O+/H2O(l) # 1000ln(alpha(25C)) = 40.8 # 13.5 C -ln_alpha1000 40.82 Log_alpha_T_H3O+/H2O(l) # 1000ln(alpha(25C)) = 81.6 # 13.5 C -ln_alpha1000 81.64 Log_alpha_18O_H3O+/H2O(l) # 1000ln(alpha(25C)) = 22.9 # 25 C -ln_alpha1000 22.86 # # O2(aq) fractionation factors # Log_alpha_18O_O2(aq)/H2O(l) -ln_alpha1000 0.0 # # H2(aq) fractionation factors # Log_alpha_D_H2(aq)/H2O(l) -ln_alpha1000 0 Log_alpha_T_H2(aq)/H2O(l) -ln_alpha1000 0 # # CO2(aq) fractionation factors # Log_alpha_18O_CO2(aq)/H2O(l) # 1000ln(alpha(25C)) = 41.2 # 0-100 C -ln_alpha1000 -21.9285 0.0 19.43596e3 0.0 -0.181115e6 Log_alpha_13C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 # Deines and others (1974) -ln_alpha1000 -0.91 0.0 0.0 0.0 .0063e6 Log_alpha_14C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 -add_logk Log_alpha_13C_CO2(aq)/CO2(g) 2 # # HCO3- fractionation factors # Log_alpha_18O_HCO3-/H2O(l) -ln_alpha1000 0.0 #? Log_alpha_D_HCO3-/H2O(l) -ln_alpha1000 0.0 Log_alpha_T_HCO3-/H2O(l) -ln_alpha1000 0.0 Log_alpha_13C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 # Deines and others (1974) -ln_alpha1000 -4.54 0.0 0.0 0.0 1.099e6 Log_alpha_13C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 8.7 # 0-100 C # -ln_alpha1000 -3.63 0.0 0.0 0.0 1.0927e6 -add_logk Log_alpha_13C_HCO3-/CO2(g) 1 -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 Log_alpha_14C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 # Deines and others (1974) -add_logk Log_alpha_13C_HCO3-/CO2(g) 2 Log_alpha_14C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 17.3 # 0-100 C # -ln_alpha1000 -7.26 0.0 0.0 0.0 2.1854e6 -add_logk Log_alpha_14C_HCO3-/CO2(g) 1 -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # CO3-2 fractionation factors # Log_alpha_18O_CO3-2/H2O(l) -ln_alpha1000 0.0 Log_alpha_13C_CO3-2/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) -ln_alpha1000 -3.4 0.0 0.0 0.0 0.870e6 Log_alpha_13C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) # 0-100 C # -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6 -add_logk Log_alpha_13C_CO3-2/CO2(g) 1 -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 Log_alpha_14C_CO3-2/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) -add_logk Log_alpha_13C_CO3-2/CO2(g) 2 Log_alpha_14C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) # # -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6 -add_logk Log_alpha_14C_CO3-2/CO2(g) 1 -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # CH4(aq) fractionation factors # Log_alpha_D_CH4(aq)/H2O(l) -ln_alpha1000 0 Log_alpha_T_CH4(aq)/H2O(l) -ln_alpha1000 0 Log_alpha_13C_CH4(aq)/CO2(aq) -ln_alpha1000 0 Log_alpha_14C_CH4(aq)/CO2(aq) -ln_alpha1000 0 # # HSO4- fractionation factors # Log_alpha_D_HSO4-/H2O(l) -ln_alpha1000 0 Log_alpha_T_HSO4-/H2O(l) -ln_alpha1000 0 Log_alpha_34S_HSO4-/SO4-2 -ln_alpha1000 0.0 # # S-2 fractionation factors # Log_alpha_34S_S-2/HS- -ln_alpha1000 0.0 # # HS- fractionation factors # Log_alpha_D_HS-/H2O(l) -ln_alpha1000 0 Log_alpha_T_HS-/H2O(l) -ln_alpha1000 0 Log_alpha_34S_HS-/SO4-2 -ln_alpha1000 0.0 # # H2S fractionation factors # Log_alpha_D_H2S(aq)/H2O(l) -ln_alpha1000 0 Log_alpha_T_H2S(aq)/H2O(l) -ln_alpha1000 0 Log_alpha_34S_H2S(aq)/HS- -ln_alpha1000 0.0 # # NO2- fractionation factors # Log_alpha_15N_NO2-/NO3- -ln_alpha1000 0.0 # # N2(aq) fractionation factors # Log_alpha_15N_N2(aq)/NO3- -ln_alpha1000 0.0 # # NH3(aq) fractionation factors # Log_alpha_D_NH3(aq)/H2O(l) -ln_alpha1000 0 Log_alpha_T_NH3(aq)/H2O(l) -ln_alpha1000 0 Log_alpha_15N_NH3(aq)/NO3- -ln_alpha1000 0 # # NH4+ fractionation factors # Log_alpha_D_NH4+/H2O(l) -ln_alpha1000 0 Log_alpha_T_NH4+/H2O(l) -ln_alpha1000 0 Log_alpha_15N_NH4+/NH3(aq) -ln_alpha1000 0 # # H2O(g) fractionation factors # Log_alpha_D_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -76.4 # 0-100 C -ln_alpha1000 -52.612 0.0 76.248e3 0.0 -24.844e6 Log_alpha_T_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -152.7 # 0-100 C -ln_alpha1000 -105.224 0.0 152.496e3 0.0 -49.688e6 Log_alpha_18O_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -9.3 # 0-100 C -ln_alpha1000 2.0667 0.0 0.4156e3 0.0 -1.137e6 # # O2(g) fractionaton factors # Log_alpha_18O_O2(g)/H2O(l) -ln_alpha1000 0.0 # # H2(g) fractionaton factors # Log_alpha_D_H2(g)/H2O(l) -ln_alpha1000 0 Log_alpha_T_H2(g)/H2O(l) -ln_alpha1000 0 # # CO2(g) fractionaton factors # Log_alpha_18O_CO2(g)/H2O(l) # 1000ln(alpha(25C)) = 40.151 # 0-100 C -ln_alpha1000 -19.97 0.0 17.9942e3 0.0 -0.0206e6 # Battinga, written commun. 1973, cited in Friedman and O'Neill Log_alpha_13C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 0.84 # 0-100 C -ln_alpha1000 0.91 0.0 0.0 0.0 -0.0063e6 Log_alpha_14C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 1.7 # 0-100 C -ln_alpha1000 1.82 0.0 0.0 0.0 -0.0126e6 # # CO2-Calcite fractionation factors # #Log_alpha_18O_CO2(aq)/Calcite # 1000ln(alpha(25C)) = 13.6 # # 0-100 C # -ln_alpha1000 -4.7383 0.0 12.05276e3 0.0 -1.963915e6 Log_alpha_18O_Calcite/H2O(l) # 1000ln(alpha(25C)) = 28.38 # O'Neil, Clayton and Mayeda (1969) -ln_alpha1000 -2.89 0 0 0 2.78e6 Log_alpha_13C_Calcite/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) -ln_alpha1000 -3.63 0.0 0.0 0.0 1.194e6 Log_alpha_13C_Calcite/CO2(aq) # 1000ln(alpha(25C)) # Deines and others (1974) -add_logk Log_alpha_13C_Calcite/CO2(g) 1 -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 Log_alpha_14C_Calcite/CO2(g) # 1000ln(alpha(25C)) -add_logk Log_alpha_13C_Calcite/CO2(g) 2 Log_alpha_14C_Calcite/CO2(aq) # 1000ln(alpha(25C)) # Deines and others (1974) -add_logk Log_alpha_14C_Calcite/CO2(g) 1 -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # Pyrite fractionation factors # Log_alpha_34S_Pyrite/HS- -ln_alpha1000 0 # # CH4(g) fractionation factors # Log_alpha_D_CH4(g)/H2O(l) #? -ln_alpha1000 0.0 Log_alpha_T_CH4(g)/H2O(l) #? -ln_alpha1000 0.0 Log_alpha_13C_CH4(g)/CO2(aq) #? -ln_alpha1000 0.0 Log_alpha_14C_CH4(g)/CO2(aq) #? -ln_alpha1000 0.0 # # H2S(g) fractionation factors # Log_alpha_D_H2S(g)/H2S(aq) -ln_alpha1000 0 Log_alpha_T_H2S(g)/H2S(aq) -ln_alpha1000 0 Log_alpha_34S_H2S(g)/H2S(aq) -ln_alpha1000 0 # # Gypsum fractionation factors # Log_alpha_34S_Gypsum/SO4-2 -ln_alpha1000 0 # # Anhydrite fractionation factors # Log_alpha_34S_Anhydrite/SO4-2 -ln_alpha1000 0 # # N2(g) fractionation factors # Log_alpha_15N_N2(g)/N2(aq) -ln_alpha1000 0 # # NH3(g) fractionation factors # Log_alpha_D_NH3(g)/H2O(l) #? -ln_alpha1000 0 Log_alpha_T_NH3(g)/H2O(l) #? -ln_alpha1000 0 Log_alpha_15N_NH3(g)/NH3(aq) -ln_alpha1000 0 ############################################################################################### CALCULATE_VALUES ############################################################################################### # # Ratios # R(D) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = TOT("D") 40 total_H = TOT("H") 50 ratio = total_D/total_H 100 save ratio -end R(T) ?? -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = TOT("T") 40 total_water = MOL("H2O") 50 ratio = total_T/total_water 100 save ratio -end R(18O) -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 total_18O = TOT("[18O]") 40 total_16O = TOT("O") 50 ratio = total_18O/total_16O 100 save ratio -end R(13C) -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 100 30 total_13C = TOT("[13C]") 40 total_12C = TOT("C") 50 ratio = total_13C/total_12C 100 save ratio -end R(14C) -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 100 30 total_14C = TOT("[14C]") 40 total_C = TOT("C") 50 ratio = total_14C/total_C 100 save ratio -end R(15N) -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 30 total_15N = TOT("[15N]") 40 total_14N = TOT("N") 50 ratio = total_15N/total_14N 100 save ratio -end R(34S) -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 100 30 total_34S = TOT("[34S]") 40 total_32S = TOT("S") 50 ratio = total_34S/total_32S 100 save ratio -end # # H2O(l) ratios # R(D)_H2O(l) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("{H,D,T}2{O,[18O]}","D") 40 total_H = sum_species("{H,D,T}2{O,[18O]}","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_H2O(l) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("{H,D,T}2{O,[18O]}","T") 40 total_H = sum_species("{H,D,T}2{O,[18O]}","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(18O)_H2O(l) -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 total_18O = sum_species("{H,D,T}2[18O]","[18O]") 40 total_16O = sum_species("{H,D,T}2O","O") 50 if (total_16O <= 0) THEN GOTO 100 60 ratio = total_18O/total_16O 100 save ratio -end # # OH- ratios # R(D)_OH- -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("*{O,[18O]}D*","D") 40 total_H = sum_species("*{O,[18O]}H*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_OH- -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("*{O,[18O]}T*","T") 40 total_H = sum_species("*{O,[18O]}H*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(18O)_OH- -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 total_18O = sum_species("*[18O]{H,D,T}*","[18O]") 40 total_16O = sum_species("*O{H,D,T}*","O") 50 ratio = total_18O/total_16O 100 save ratio -end # # H3O+ ratios # R(D)_H3O+ -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("{H,D,T}3{O,[18O]}+","D") 40 total_H = sum_species("{H,D,T}3{O,[18O]}+","H") 50 ratio = total_D/total_H 100 save ratio -end R(T)_H3O+ -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("{H,D,T}3{O,[18O]}+","T") 40 total_H = sum_species("{H,D,T}3{O,[18O]}+","H") 50 ratio = total_T/total_H 100 save ratio -end R(18O)_H3O+ -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 total_18O = sum_species("{H,D,T}3{O,[18O]}+","[18O]") 40 total_16O = sum_species("{H,D,T}3{O,[18O]}+","O") 50 ratio = total_18O/total_16O 100 save ratio -end # # O2(aq) ratios # R(18O)_O2(aq) -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 total_18O = sum_species("{O,[18O]}2","[18O]") 40 total_O = sum_species("{O,[18O]}2","O") 50 if (total_O <= 0) THEN GOTO 100 60 ratio = total_18O/total_O 100 save ratio -end # # H2(aq) ratios # R(D)_H2(aq) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("{H,D,T}2","D") 40 total_H = sum_species("{H,D,T}2","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_H2(aq) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("{H,D,T}2","T") 40 total_H = sum_species("{H,D,T}2","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end # # CO2(aq) ratios # R(13C)_CO2(aq) -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 100 30 total_13C = sum_species("[13C]{O,[18O]}2","[13C]") 40 total_12C = sum_species("C{O,[18O]}2","C") 50 if (total_12C <= 0) THEN GOTO 100 60 ratio = total_13C/total_12C 100 save ratio -end R(14C)_CO2(aq) -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 100 30 total_14C = sum_species("[14C]{O,[18O]}2","[14C]") 40 total_12C = sum_species("C{O,[18O]}2","C") 50 if (total_12C <= 0) THEN GOTO 100 60 ratio = total_14C/total_12C 100 save ratio -end R(18O)_CO2(aq) -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 if (TOT("C") <= 0) THEN GOTO 100 40 total_18O = sum_species("{C,[13C],[14C]}{O,[18O]}2","[18O]") 50 total_16O = sum_species("{C,[13C],[14C]}{O,[18O]}2","O") 60 if (total_16O <= 0) THEN GOTO 100 70 ratio = total_18O/total_16O 100 save ratio -end # # HCO3- ratios # R(D)_HCO3- -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 if (TOT("C") <= 0) THEN GOTO 100 40 total_D = sum_species("*D{C,[13C],[14C]}{O,[18O]}3*","D") 50 total_H = sum_species("*H{C,[13C],[14C]}{O,[18O]}3*","H") 60 if (total_H <= 0) THEN GOTO 100 70 ratio = total_D/total_H 100 save ratio -end R(T)_HCO3- -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 if (TOT("C") <= 0) THEN GOTO 100 40 total_T = sum_species("*T{C,[13C],[14C]}{O,[18O]}3*","T") 50 total_H = sum_species("*H{C,[13C],[14C]}{O,[18O]}3*","H") 60 if (total_H <= 0) THEN GOTO 100 70 ratio = total_T/total_H 100 save ratio -end R(18O)_HCO3- -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 if (TOT("C") <= 0) THEN GOTO 100 40 total_18O = sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","[18O]") 50 total_16O = sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","O") 60 if (total_16O <= 0) THEN GOTO 100 70 ratio = total_18O/total_16O 100 save ratio -end R(13C)_HCO3- -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 100 30 total_13C = sum_species("*{H,D,T}[13C]{O,[18O]}3*","[13C]") 40 total_12C = sum_species("*{H,D,T}C{O,[18O]}3*","C") 50 if (total_12C <= 0) THEN GOTO 100 60 ratio = total_13C/total_12C 100 save ratio -end R(14C)_HCO3- -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 100 30 total_14C = sum_species("*{H,D,T}[14C]{O,[18O]}3*","[14C]") 40 total_12C = sum_species("*{H,D,T}C{O,[18O]}3*","C") 50 if (total_12C <= 0) THEN GOTO 100 60 ratio = total_14C/total_12C 100 save ratio -end # # CO3-2 ratios # R(18O)_CO3-2 -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 100 30 if (TOT("C") <= 0) THEN GOTO 100 40 total_18O = sum_species("*{C,[13C],[14C]}{O,[18O]}3*","[18O]") - sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","[18O]") 50 total_16O = sum_species("*{C,[13C],[14C]}{O,[18O]}3*","O") - sum_species("*{H,D,T}{C,[13C],[14C]}{O,[18O]}3*","O") 60 if (total_16O <= 0) THEN GOTO 100 70 ratio = total_18O/total_16O 100 save ratio -end R(13C)_CO3-2 -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 100 30 total_13C = sum_species("*[13C]{O,[18O]}3*","[13C]") - sum_species("*{H,D,T}[13C]{O,[18O]}3*","[13C]") 40 total_12C = sum_species("*C{O,[18O]}3*","C") - sum_species("*{H,D,T}C{O,[18O]}3*","C") 50 if (total_12C <= 0) THEN GOTO 100 60 ratio = total_13C/total_12C 100 save ratio -end R(14C)_CO3-2 -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 100 30 total_14C = sum_species("*[14C]{O,[18O]}3*","[14C]") - sum_species("*{H,D,T}[14C]{O,[18O]}3*","[14C]") 40 total_12C = sum_species("*C{O,[18O]}3*","C") - sum_species("*{H,D,T}C{O,[18O]}3*","C") 50 if (total_12C <= 0) THEN GOTO 100 60 ratio = total_14C/total_12C 100 save ratio -end # # CH4(aq) ratios # R(D)_CH4(aq) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("{C,[13C],[14C]}{H,D,T}4","D") 40 total_H = sum_species("{C,[13C],[14C]}{H,D,T}4","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_CH4(aq) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("{C,[13C],[14C]}{H,D,T}4","T") 40 total_H = sum_species("{C,[13C],[14C]}{H,D,T}4","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(13C)_CH4(aq) -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 100 30 total_13C = sum_species("[13C]{H,D,T}4","[13C]") 40 total_C = sum_species("C{H,D,T}4","C") 50 if (total_C <= 0) THEN GOTO 100 60 ratio = total_13C/total_C 100 save ratio -end R(14C)_CH4(aq) -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 100 30 total_14C = sum_species("[14C]{H,D,T}4","[14C]") 40 total_C = sum_species("C{H,D,T}4","C") 50 if (total_C <= 0) THEN GOTO 100 60 ratio = total_14C/total_C 100 save ratio -end # # SO4-2 ratios # R(34S)_SO4-2 -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 100 30 total_34S = sum_species("*[34S]O4*","[34S]") - sum_species("*{H,D,T}[34S]O4*","[34S]") 40 total_S = sum_species("*SO4*","S") - sum_species("*{H,D,T}SO4*","S") 50 if (total_S <= 0) THEN GOTO 100 60 ratio = total_34S/total_S 100 save ratio -end # # HSO4- ratios # R(D)_HSO4- -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("*D{S,[34S]}O4*","D") 40 total_H = sum_species("*H{S,[34S]}O4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_HSO4- -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("*T{S,[34S]}O4*","T") 40 total_H = sum_species("*H{S,[34S]}O4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(34S)_HSO4- -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 100 30 total_34S = sum_species("*{H,D,T}[34S]O4*","[34S]") 40 total_S = sum_species("*{H,D,T}SO4*","S") 50 if (total_S <= 0) THEN GOTO 100 60 ratio = total_34S/total_S 100 save ratio -end # # S-2 ratios # R(34S)_S-2 -start 10 ratio = -9999.999 20 if (TOT("[34S](-2)") <= 0) THEN GOTO 100 30 total_34S = MOL("[34S]-2") 40 total_S = MOL("S-2") 50 if (total_S <= 0) THEN GOTO 100 60 ratio = total_34S/total_S 100 save ratio -end # # HS- ratios # R(D)_HS- -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("*D{S,[34S]}*","D") - sum_species("*D{S,[34S]}O4*","D") 40 total_H = sum_species("*H{S,[34S]}*","H") - sum_species("*H{S,[34S]}O4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_HS- -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("*T{S,[34S]}*","T") - sum_species("*T{S,[34S]}O4*","T") 40 total_H = sum_species("*H{S,[34S]}*","H") - sum_species("*H{S,[34S]}O4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(34S)_HS- -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 100 30 total_34S = sum_species("*{H,D,T}[34S]*","[34S]") - sum_species("*{H,D,T}[34S]O4*","[34S]") 40 total_S = sum_species("*{H,D,T}S*","S") - sum_species("*{H,D,T}SO4*","S") 50 if (total_S <= 0) THEN GOTO 100 60 ratio = total_34S/total_S 100 save ratio -end # # H2S ratios # R(D)_H2S(aq) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("*{H,D,T}2{S,[34S]}*","D") - sum_species("*{H,D,T}2{S,[34S]}O4*","D") 40 total_S = sum_species("*{H,D,T}2{S,[34S]}*","H") - sum_species("*{H,D,T}2{S,[34]}SO4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_H2S(aq) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("{H,D,T}2{S,[34S]}","T") 40 total_H = sum_species("{H,D,T}2{S,[34S]}","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(34S)_H2S(aq) -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 100 30 total_34S = sum_species("{H,D,T}2[34S]","[34S]") 40 total_S = sum_species("{H,D,T}2S","S") 50 if (total_S <= 0) THEN GOTO 100 60 ratio = total_34S/total_S 100 save ratio -end # # NO3- ratios # R(15N)_NO3- -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 30 total_15N = TOT("[15N](5)") 40 total_N = TOT("N(5)") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N 100 save ratio -end # # NO2- ratios # R(15N)_NO2- -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 30 total_15N = TOT("[15N](3)") 40 total_N = TOT("N(3)") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N 100 save ratio -end # # N2(aq) ratios # R(15N)_N2(aq) -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 30 total_15N = TOT("[15N](0)") 40 total_N = TOT("N(0)") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N 100 save ratio -end # # NH3(aq) ratios # R(D)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("{[15N],N}{H,D,T}3","D") 40 total_H = sum_species("{[15N],N}{H,D,T}3","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("{[15N],N}{H,D,T}3","T") 40 total_H = sum_species("{[15N],N}{H,D,T}3","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(15N)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 30 total_15N = sum_species("[15N]{H,D,T}3","[15N]") 40 total_N = sum_species("N{H,D,T}3","N") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N 100 save ratio -end # # NH4+ ratios # R(D)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D") 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H 100 save ratio -end R(T)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T") 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H 100 save ratio -end R(15N)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]") 40 total_N = sum_species("*N{H,D,T}4*","N") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N 100 save ratio -end # # Ratios for minerals and gases # # # H2O(g) ratios # R(D)_H2O(g) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000 40 total_D = SUM_GAS("{H,D,T}2{O,[18O]}", "D") 50 total_H = SUM_GAS("{H,D,T}2{O,[18O]}", "H") 60 if (total_h <= 0) THEN GOTO 1000 70 ratio = total_D/total_H 1000 save ratio -end R(T)_H2O(g) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000 40 total_T = SUM_GAS("{H,D,T}2{O,[18O]}", "T") 50 total_H = SUM_GAS("{H,D,T}2{O,[18O]}", "H") 60 if (total_h <= 0) THEN GOTO 1000 70 ratio = total_T/total_H 1000 save ratio -end R(18O)_H2O(g) -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000 40 total_18O = SUM_GAS("{H,D,T}2[18O]", "[18O]") 50 total_O = SUM_GAS("{H,D,T}2O", "O") 60 if (total_O <= 0) THEN GOTO 1000 70 ratio = total_18O/total_O 1000 save ratio -end # # O2(g) ratios # R(18O)_O2(g) -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("O2(g)") <= 0) THEN GOTO 1000 40 total_18O = SUM_GAS("{O,[18O]}2", "[18O]") 50 total_O = SUM_GAS("{O,[18O]}2", "O") 60 if (total_O <= 0) THEN GOTO 1000 70 ratio = total_18O/total_O 1000 save ratio -end # # H2(g) ratios # R(D)_H2(g) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("H2(g)") <= 0) THEN GOTO 1000 40 total_D = SUM_GAS("{H,D,T}2", "D") 50 total_H = SUM_GAS("{H,D,T}2", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_D/total_H 1000 save ratio -end R(T)_H2(g) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("H2(g)") <= 0) THEN GOTO 1000 40 total_T = SUM_GAS("{H,D,T}2", "T") 50 total_H = SUM_GAS("{H,D,T}2", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_T/total_H 1000 save ratio -end # # CO2(g) ratios # R(18O)_CO2(g) -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 total_18O = SUM_GAS("{C,[13C],[14C]}{O,[18O]}2", "[18O]") 50 total_O = SUM_GAS("{C,[13C],[14C]}{O,[18O]}2", "O") 60 if (total_O <= 0) THEN GOTO 1000 70 ratio = total_18O/total_O 1000 save ratio -end R(13C)_CO2(g) -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 if (GAS("[13C]O2(g)") <= 0) THEN GOTO 1000 50 total_13C = SUM_GAS("[13C]{O,[18O]}2", "[13C]") 60 total_C = SUM_GAS("C{O,[18O]}2", "C") 70 if (total_C <= 0) THEN GOTO 1000 80 ratio = total_13C/total_C 1000 save ratio -end R(14C)_CO2(g) -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 if (GAS("[14C]O2(g)") <= 0) THEN GOTO 1000 50 total_14C = SUM_GAS("[14C]{O,[18O]}2", "[14C]") 60 total_C = SUM_GAS("C{O,[18O]}2", "C") 70 if (total_C <= 0) THEN GOTO 1000 80 ratio = total_14C/total_C 1000 save ratio -end # # Calcite ratios # R(18O)_Calcite -start 10 ratio = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 total_18O = SUM_S_S("Calcite", "[18O]") 50 total_O = SUM_S_S("Calcite", "O") 60 if (total_O <= 0) THEN GOTO 1000 70 ratio = total_18O/total_O 1000 save ratio -end R(13C)_Calcite -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 total_13C = SUM_S_S("Calcite", "[13C]") 50 total_C = SUM_S_S("Calcite", "C") 60 if (total_C <= 0) THEN GOTO 1000 70 ratio = total_13C/total_C 1000 save ratio -end R(14C)_Calcite -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 total_14C = SUM_S_S("Calcite", "[14C]") 50 total_C = SUM_S_S("Calcite", "C") 60 if (total_C <= 0) THEN GOTO 1000 70 ratio = total_14C/total_C 1000 save ratio -end # # Pyrite ratios # R(34S)_Pyrite -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (S_S("Pyrite") <= 0) THEN GOTO 1000 40 total_34S = SUM_S_S("Pyrite", "[34S]") 50 total_S = SUM_S_S("Pyrite", "S") 60 if (total_S <= 0) THEN GOTO 1000 70 ratio = total_34S/total_S 1000 save ratio -end # # CH4(g) ratios # R(D)_CH4(g) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 total_D = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "D") 50 total_H = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_D/total_H 1000 save ratio -end R(T)_CH4(g) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 total_T = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "T") 50 total_H = SUM_GAS("{C,[13C],[14C]}{H,D,T}4", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_T/total_H 1000 save ratio -end R(13C)_CH4(g) -start 10 ratio = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 total_13C = SUM_GAS("[13C]{H,D,T}4", "[13C]") 50 total_C = SUM_GAS("C{H,D,T}4", "C") 60 if (total_C <= 0) THEN GOTO 1000 70 ratio = total_13C/total_C 1000 save ratio -end R(14C)_CH4(g) -start 10 ratio = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 total_14C = SUM_GAS("[14C]{H,D,T}4", "[14C]") 50 total_C = SUM_GAS("C{H,D,T}4", "C") 60 if (total_C <= 0) THEN GOTO 1000 70 ratio = total_14C/total_C 1000 save ratio -end # # H2S(g) ratios # R(D)_H2S(g) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("H2S(g)") <= 0) THEN GOTO 1000 40 total_D = SUM_GAS("{H,D,T}2{S,[34S]}", "D") 50 total_H = SUM_GAS("{H,D,T}2{S,[34S]}", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_D/total_H 1000 save ratio -end R(T)_H2S(g) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("H2S(g)") <= 0) THEN GOTO 1000 40 total_T = SUM_GAS("{H,D,T}2{S,[34S]}", "T") 50 total_H = SUM_GAS("{H,D,T}2{S,[34S]}", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_T/total_H 1000 save ratio -end R(34S)_H2S(g) -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (GAS("H2S(g)") <= 0) THEN GOTO 1000 40 total_34S = SUM_GAS("{H,D,T}2[34S]", "[34S]") 50 total_S = SUM_GAS("{H,D,T}2S", "S") 60 if (total_S <= 0) THEN GOTO 1000 70 ratio = total_34S/total_S 1000 save ratio -end # # Gypsum ratios # R(34S)_Gypsum -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (S_S("Gypsum") <= 0) THEN GOTO 1000 40 total_34S = SUM_S_S("Gypsum", "[34S]") 50 total_S = SUM_S_S("Gypsum", "S") 60 if (total_S <= 0) THEN GOTO 1000 70 ratio = total_34S/total_S 1000 save ratio -end # # Anhydrite ratios # R(34S)_Anhydrite -start 10 ratio = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (S_S("Anhydrite") <= 0) THEN GOTO 1000 40 total_34S = SUM_S_S("Anhydrite", "[34S]") 50 total_S = SUM_S_S("Anhydrite", "S") 60 if (total_S <= 0) THEN GOTO 1000 70 ratio = total_34S/total_S 1000 save ratio -end # # N2(g) ratios # R(15N)_N2(g) -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (GAS("N2(g)") <= 0) THEN GOTO 1000 40 total_15N = SUM_GAS("{[15N],N}2", "[15N]") 50 total_N = SUM_GAS("{[15N],N}2", "N") 60 if (total_N <= 0) THEN GOTO 1000 70 ratio = total_15N/total_N 1000 save ratio -end # # NH3(g) ratios # R(D)_NH3(g) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("NH3(g)") <= 0) THEN GOTO 1000 40 total_D = SUM_GAS("{[15N],N}{H,D,T}3", "D") 50 total_H = SUM_GAS("{[15N],N}{H,D,T}3", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_D/total_H 1000 save ratio -end R(T)_NH3(g) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("NH3(g)") <= 0) THEN GOTO 1000 40 total_T = SUM_GAS("{[15N],N}{H,D,T}3", "T") 50 total_H = SUM_GAS("{[15N],N}{H,D,T}3", "H") 60 if (total_H <= 0) THEN GOTO 1000 70 ratio = total_T/total_H 1000 save ratio -end R(15N)_NH3(g) -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (GAS("NH3(g)") <= 0) THEN GOTO 1000 40 total_15N = SUM_GAS("[15N]{H,D,T}3", "[15N]") 50 total_N = SUM_GAS("N{H,D,T}3", "N") 60 if (total_N <= 0) THEN GOTO 1000 70 ratio = total_15N/total_N 1000 save ratio -end ############################################################################################### CALCULATE_VALUES ############################################################################################### # # Alphas # # # H2O(l) ratios # # # OH- ratios # Alpha_D_OH-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 r1 = CALC_VALUE("R(D)_OH-") 40 r2 = CALC_VALUE("R(D)_H2O(l)") 50 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_OH-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 r1 = CALC_VALUE("R(T)_OH-") 40 r2 = CALC_VALUE("R(T)_H2O(l)") 50 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_OH-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 r1 = CALC_VALUE("R(18O)_OH-") 40 r2 = CALC_VALUE("R(18O)_H2O(l)") 50 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # H3O+ ratios # Alpha_D_H3O+/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 r1 = CALC_VALUE("R(D)_H3O+") 40 r2 = CALC_VALUE("R(D)_H2O(l)") 50 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H3O+/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 r1 = CALC_VALUE("R(T)_H3O+") 40 r2 = CALC_VALUE("R(T)_H2O(l)") 50 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_H3O+/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 r1 = CALC_VALUE("R(18O)_H3O+") 40 r2 = CALC_VALUE("R(18O)_H2O(l)") 50 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # O2(aq) ratios # Alpha_18O_O2(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(18O)_O2(aq)") 60 r2 = CALC_VALUE("R(18O)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # H2(aq) ratios # Alpha_D_H2(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_H2(aq)") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H2(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_H2(aq)") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # CO2(aq) ratios # Alpha_18O_CO2(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_CO2(aq)") 50 r2 = CALC_VALUE("R(18O)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_CO2(aq)/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_CO2(aq)") 50 r2 = CALC_VALUE("R(13C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_CO2(aq)/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_CO2(aq)") 50 r2 = CALC_VALUE("R(14C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # HCO3- ratios # Alpha_D_HCO3-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(D)_HCO3-") 50 r2 = CALC_VALUE("R(D)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_HCO3-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(T)_HCO3-") 50 r2 = CALC_VALUE("R(T)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_HCO3-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_HCO3-") 50 r2 = CALC_VALUE("R(18O)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_HCO3-/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_HCO3-") 50 r2 = CALC_VALUE("R(18O)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_HCO3-/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_HCO3-") 50 r2 = CALC_VALUE("R(13C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_HCO3-/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_HCO3-") 50 r2 = CALC_VALUE("R(13C)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_HCO3-/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_HCO3-") 50 r2 = CALC_VALUE("R(14C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_HCO3-/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_HCO3-") 50 r2 = CALC_VALUE("R(14C)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # CO3-2 ratios # Alpha_18O_CO3-2/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_CO3-2") 50 r2 = CALC_VALUE("R(18O)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_CO3-2/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_CO3-2") 50 r2 = CALC_VALUE("R(18O)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_CO3-2/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_CO3-2") 50 r2 = CALC_VALUE("R(13C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_CO3-2/CO2(aq) #? -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_CO3-2") 50 r2 = CALC_VALUE("R(13C)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_CO3-2/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_CO3-2") 50 r2 = CALC_VALUE("R(14C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_CO3-2/CO2(aq) #? -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_CO3-2") 50 r2 = CALC_VALUE("R(14C)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # CH4(aq) ratios # Alpha_D_CH4(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_CH4(aq)") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_CH4(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_CH4(aq)") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_CH4(aq)/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(13C)_CH4(aq)") 60 r2 = CALC_VALUE("R(13C)_CO2(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_CH4(aq)/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (TOT("C") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(14C)_CH4(aq)") 60 r2 = CALC_VALUE("R(14C)_CO2(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # HSO4-2 ratios # Alpha_D_HSO4-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("S(6)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_HSO4-") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_HSO4-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("S(6)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_HSO4-") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_34S_HSO4-/SO4-2 -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (TOT("S(6)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(34S)_HSO4-") 60 r2 = CALC_VALUE("R(34S)_SO4-2") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # S-2 ratios # Alpha_34S_S-2/HS- -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(34S)_S-2") 60 r2 = CALC_VALUE("R(34S)_HS-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # HS- ratios # Alpha_D_HS-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_HS-") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_HS-/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_HS-") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_34S_HS-/SO4-2 -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (TOT("S(6)") <= 0) THEN GOTO 1000 40 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(34S)_HS-") 60 r2 = CALC_VALUE("R(34S)_SO4-2") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # H2S ratios # Alpha_D_H2S(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_H2S(aq)") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_D_H2S(aq)/HS- -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_H2S(aq)") 60 r2 = CALC_VALUE("R(D)_HS-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H2S(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_H2S(aq)") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H2S(aq)/HS- -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_H2S(aq)") 60 r2 = CALC_VALUE("R(T)_HS-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_34S_H2S(aq)/HS- -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(34S)_H2S(aq)") 60 r2 = CALC_VALUE("R(34S)_HS-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # NO3- ratios # Alpha_15N_NO2-/NO3- -start 10 alpha = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (TOT("N(5)") <= 0) THEN GOTO 1000 40 if (TOT("N(3)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(15N)_NO2-") 60 r2 = CALC_VALUE("R(15N)_NO3-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # N2(aq) ratios # Alpha_15N_N2(aq)/NO3- -start 10 alpha = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (TOT("N(5)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(15N)_N2(aq)") 60 r2 = CALC_VALUE("R(15N)_NO3-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # NH3(aq) ratios # Alpha_D_NH3(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_NH3(aq)") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_NH3(aq)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_NH3(aq)") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_15N_NH3(aq)/NO3- -start 10 alpha = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(15N)_NH3(aq)") 60 r2 = CALC_VALUE("R(15)_NO3-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # NH4+ ratios # Alpha_D_NH4+/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_NH4+") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_NH4+/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_NH4+") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_15N_NH4+/NO3- -start 10 alpha = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (TOT("N(5)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(15N)_NH4+") 60 r2 = CALC_VALUE("R(15N)_NO3-") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_15N_NH4+/NH3(aq) -start 10 alpha = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (TOT("N(5)") <= 0) THEN GOTO 1000 40 if (TOT("N(-3)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(15N)_NH4+") 60 r2 = CALC_VALUE("R(15N)_NH3(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # Ratios for minerals and gases # # # H2O(g) ratios # Alpha_D_H2O(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(D)_H2O(g)") 50 r2 = CALC_VALUE("R(D)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H2O(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(T)_H2O(g)") 50 r2 = CALC_VALUE("R(T)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_H2O(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("H2O(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_H2O(g)") 50 r2 = CALC_VALUE("R(18O)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # O2(g) ratios # Alpha_18O_O2(aq)/O2(g) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("O2(g)") <= 0) THEN GOTO 1000 40 if (GAS("O[18O](g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(18O)_O2(aq)") 60 r2 = CALC_VALUE("R(18O)_O2(g)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_O2(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("O2(g)") <= 0) THEN GOTO 1000 40 if (GAS("O[18O](g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(18O)_O2(g)") 60 r2 = CALC_VALUE("R(18O)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # H2(g) ratios # Alpha_D_H2(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("H2(g)") <= 0) THEN GOTO 1000 40 if (GAS("HD(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_H2(g)") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H2(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("H2(g)") <= 0) THEN GOTO 1000 40 if (GAS("HT(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_H2(g)") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_D_H2(aq)/H2(g) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("H2(g)") <= 0) THEN GOTO 1000 40 if (GAS("HD(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_H2(aq)") 60 r2 = CALC_VALUE("R(D)_H2(g)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H2(aq)/H2(g) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("H2(g)") <= 0) THEN GOTO 1000 40 if (GAS("HT(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_H2(aq)") 60 r2 = CALC_VALUE("R(T)_H2(g)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # CO2(g) ratios # Alpha_18O_CO2(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 if (GAS("CO[18O](g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(18O)_CO2(g)") 60 r2 = CALC_VALUE("R(18O)_H2O(l)") 70 if (r1 <= 0) THEN GOTO 1000 80 if (r2 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_CO2(g)/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 if (GAS("CO[18O](g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(18O)_CO2(g)") 60 r2 = CALC_VALUE("R(18O)_CO2(aq)") 70 if (r1 <= 0) THEN GOTO 1000 80 if (r2 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_CO2(g)/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 if (GAS("[13C]O2(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(13C)_CO2(g)") 60 r2 = CALC_VALUE("R(13C)_CO2(aq)") 70 if (r1 <= 0) THEN GOTO 1000 80 if (r2 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_CO2(g)/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 if (GAS("[134]O2(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(14C)_CO2(g)") 60 r2 = CALC_VALUE("R(14C)_CO2(aq)") 70 if (r1 <= 0) THEN GOTO 1000 80 if (r2 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # Calcite ratios # Alpha_18O_Calcite/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_Calcite") 50 r2 = CALC_VALUE("R(18O)_H2O(l)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_18O_Calcite/CO3-2 -start 10 alpha = -9999.999 20 if (TOT("[18O]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(18O)_Calcite") 50 r2 = CALC_VALUE("R(18O)_CO3-2") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_Calcite/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 35 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_Calcite") 50 r2 = CALC_VALUE("R(13C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_Calcite/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_Calcite") 50 r2 = CALC_VALUE("R(13C)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_Calcite/CO3-2 -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(13C)_Calcite") 50 r2 = CALC_VALUE("R(13C)_CO3-2") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_Calcite/CO2(g) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 35 if (GAS("CO2(g)") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_Calcite") 50 r2 = CALC_VALUE("R(14C)_CO2(g)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_Calcite/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_Calcite") 50 r2 = CALC_VALUE("R(14C)_CO2(aq)") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_Calcite/CO3-2 -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (S_S("Calcite") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(14C)_Calcite") 50 r2 = CALC_VALUE("R(14C)_CO3-2") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # Pyrite ratios # Alpha_34S_Pyrite/HS- -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (S_S("Pyrite") <= 0) THEN GOTO 1000 40 r1 = CALC_VALUE("R(34S)_Pyrite") 50 r2 = CALC_VALUE("R(34S)_HS-") 60 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # CH4(g) ratios # Alpha_D_CH4(aq)/CH4(g) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("CH3D(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_CH4(aq)") 60 r2 = CALC_VALUE("R(D)_CH4(g)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_D_CH4(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("CH3D(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_CH4(g)") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_CH4(aq)/CH4(g) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("CH3T(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_CH4(aq)") 60 r2 = CALC_VALUE("R(T)_CH4(g)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_CH4(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("CH3T(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_CH4(g)") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_CH4(g)/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("[13C]H4(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(13C)_CH4(g)") 60 r2 = CALC_VALUE("R(13C)_CO2(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_13C_CH4(aq)/CH4(g) -start 10 alpha = -9999.999 20 if (TOT("[13C]") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("[13C]H4(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(13C)_CH4(aq)") 60 r2 = CALC_VALUE("R(13C)_CH4(g)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_CH4(g)/CO2(aq) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("[14C]H4(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(14C)_CH4(g)") 60 r2 = CALC_VALUE("R(14C)_CO2(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_14C_CH4(aq)/CH4(g) -start 10 alpha = -9999.999 20 if (TOT("[14C]") <= 0) THEN GOTO 1000 30 if (GAS("CH4(g)") <= 0) THEN GOTO 1000 40 if (GAS("[14C]H4(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(14C)_CH4(aq)") 60 r2 = CALC_VALUE("R(14C)_CH4(g)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # H2S(g) ratios # Alpha_D_H2S(g)/H2S(aq) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_H2S(g)") 60 r2 = CALC_VALUE("R(D)_H2S(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_H2S(g)/H2S(aq) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("S(-2)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_H2S(g)") 60 r2 = CALC_VALUE("R(T)_H2S(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_34S_H2S(g)/H2S(aq) -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (TOT("S(6)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(34S)_H2S(g)") 60 r2 = CALC_VALUE("R(34S)_H2S(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # Gypsum ratios # Alpha_34S_Gypsum/SO4-2 -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (TOT("S(6)") <= 0) THEN GOTO 1000 40 if (S_S("Gypsum") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(34S)_Gypsum") 60 r2 = CALC_VALUE("R(34S)_SO4-2") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # Anhydrite ratios # Alpha_34S_Anhydrite/SO4-2 -start 10 alpha = -9999.999 20 if (TOT("[34S]") <= 0) THEN GOTO 1000 30 if (TOT("S(6)") <= 0) THEN GOTO 1000 40 if (S_S("Anhydrite") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(34S)_Anhydrite") 60 r2 = CALC_VALUE("R(34S)_SO4-2") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # N2(g) ratios # Alpha_15N_N2(g)/N2(aq) -start 10 alpha = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (TOT("N(0)") <= 0) THEN GOTO 1000 40 if (GAS("N2(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(15N)_N2(g)") 60 r2 = CALC_VALUE("R(15N)_N2(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end # # NH3(g) ratios # Alpha_D_NH3(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 40 if (GAS("NH3(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(D)_NH3(g)") 60 r2 = CALC_VALUE("R(D)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_T_NH3(g)/H2O(l) -start 10 alpha = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 40 if (GAS("NH3(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(T)_NH3(g)") 60 r2 = CALC_VALUE("R(T)_H2O(l)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end Alpha_15N_NH3(g)/NH3(aq) -start 10 alpha = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 1000 30 if (TOT("N(-3)") <= 0) THEN GOTO 1000 40 if (GAS("NH3(g)") <= 0) THEN GOTO 1000 50 r1 = CALC_VALUE("R(15N)_NH3(g)") 60 r2 = CALC_VALUE("R(15N)_NH3(aq)") 70 if (r2 <= 0) THEN GOTO 1000 80 if (r1 <= -9999) THEN GOTO 1000 90 alpha = r1/r2 1000 save alpha -end ############################################################################################### SOLUTION_SPECIES ############################################################################################### D2O = D2O -activity_water log_k 0 HTO = HTO -activity_water log_k 0 H2[18O] = H2[18O] -activity_water log_k 0 CO2 = CO2 log_k 0 [13C]O2 = [13C]O2 log_k 0 [14C]O2 = [14C]O2 log_k 0 [34S]O4-2 = [34S]O4-2 log_k 0.0 -gamma 5.0000 -0.0400 [15N]O3- = [15N]O3- log_k 0.0 -gamma 3.0000 0.0000 # # H2O reactions # last update July 31, 2006 # checked September 19, 2006 # 0.5H2O + 0.5D2O = HDO log_k 0.301029995663 # log10(2) -activity_water HDO + HTO = DTO + H2O -mole_balance DTO log_k -0.301029995663 # log10(1/2) -activity_water 2HTO = T2O + H2O -mole_balance T2O log_k -0.6020599913279623960 # log10(1/4) -activity_water H2[18O] + HDO = HD[18O] + H2O -mole_balance HD[18O] log_k 0.0 -activity_water H2[18O] + HTO = HT[18O] + H2O -mole_balance HT[18O] log_k 0.0 -activity_water DTO + H2[18O] = DT[18O] + H2O -mole_balance DT[18O] log_k 0.0 -activity_water D2O + H2[18O] = D2[18O] + H2O -mole_balance D2[18O] log_k 0.0 -activity_water H2[18O] + T2O = T2[18O] + H2O -mole_balance T2[18O] log_k 0.0 -activity_water # # OH- reactions # last update July 31, 2006 # checked September 19, 2006 # OH- + HDO = OD- + H2O -mole_balance OD log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_D_OH-/H2O(l) 1.0 -gamma 3.5000 0.0000 OH- + HTO = OT- + H2O -mole_balance OT log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_T_OH-/H2O(l) 1.0 -gamma 3.5000 0.0000 OH- + H2[18O] = [18O]H- + H2O -mole_balance [18O]H -add_logk Log_alpha_18O_OH-/H2O(l) 1.0 -gamma 3.5000 0.0000 [18O]H- + OD- = [18O]D- + OH- -mole_balance [18O]D log_k 0.0 -gamma 3.5000 0.0000 [18O]H- + OT- = [18O]T- + OH- -mole_balance [18O]T log_k 0.0 -gamma 3.5000 0.0000 # # H3O+ reactions # last update July 31, 2006 # checked September 19, 2006 # H3O+ + HDO = H2DO+ + H2O -mole_balance H2DO log_k 0.176091259055 # log10(1.5) -add_logk Log_alpha_D_H3O+/H2O(l) 1.0 -gamma 9.0000 0.0000 2H2DO+ = HD2O+ + H3O+ -mole_balance HD2O log_k -0.477121254719662 # log10(1/3) -gamma 9.0000 0.0000 H2DO+ + HD2O+ = D3O+ + H3O+ -mole_balance D3O log_k -0.954242509439324 # log10(1/9) -gamma 9.0000 0.0000 H3O+ + HTO = H2TO+ + H2O -mole_balance H2TO log_k 0.176091259055 # log10(1.5) -add_logk Log_alpha_T_H3O+/H2O(l) 1.0 -gamma 9.0000 0.0000 2H2TO+ = HT2O+ + H3O+ -mole_balance HT2O log_k -0.477121254719662 # log10(1/3) -gamma 9.0000 0.0000 H2TO+ + HT2O+ = T3O+ + H3O+ -mole_balance T3O log_k -0.954242509439324 # log10(1/9) -gamma 9.0000 0.0000 H2TO+ + H2DO+ = HDTO+ + H3O+ -mole_balance HDTO log_k -0.477121254719662 # log10(1/3) -gamma 9.0000 0.0000 H2TO+ + HD2O+ = D2TO+ + H3O+ -mole_balance D2TO log_k -0.477121254719662 # log10(1/3) -gamma 9.0000 0.0000 H2DO+ + HT2O+ = DT2O+ + H3O+ -mole_balance DT2O log_k -0.477121254719662 # log10(1/3) -gamma 9.0000 0.0000 H3O+ + H2[18O] = H3[18O]+ + H2O -mole_balance H3[18O] -add_logk Log_alpha_18O_H3O+/H2O(l) 1.0 -gamma 9.0000 0.0000 H3[18O]+ + H2DO+ = H2D[18O]+ + H3O+ -mole_balance H2D[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + HD2O+ = HD2[18O]+ + H3O+ -mole_balance HD2[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + D3O+ = D3[18O]+ + H3O+ -mole_balance D3[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + H2TO+ = H2T[18O]+ + H3O+ -mole_balance H2T[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + HT2O+ = HT2[18O]+ + H3O+ -mole_balance HT2[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + T3O+ = T3[18O]+ + H3O+ -mole_balance T3[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + HDTO+ = HDT[18O]+ + H3O+ -mole_balance HDT[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + D2TO+ = D2T[18O]+ + H3O+ -mole_balance D2T[18O] log_k 0.0 -gamma 9.0000 0.0000 H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+ -mole_balance DT2[18O] log_k 0.0 -gamma 9.0000 0.0000 # # O2 reactions # last update July 31, 2006 # checked September 19, 2006 # O2 + H2[18O] = O[18O] + H2O log_k 0.301029995663 # log10(2) -add_logk Log_alpha_18O_O2(aq)/H2O(l) 1.0 -mole_balance O(0)[18O](0) 2O[18O] = [18O]2 + O2 log_k -0.602059991327962396 # -log10(4) -mole_balance [18O](0)2 # # H2 reactions # last update July 31, 2006 # checked September 19, 2006 # H2 + HDO = HD + H2O -mole_balance H(0)D(0) -add_logk Log_alpha_D_H2(aq)/H2O(l) 1.0 2HD = D2 + H2 -mole_balance D(0)2 log_k -0.602059991327962396 # -log10(4) H2 + HTO = HT + H2O -mole_balance H(0)T(0) -add_logk Log_alpha_T_H2(aq)/H2O(l) 1.0 2HT = T2 + H2 -mole_balance T(0)2 log_k -0.602059991327962396 # -log10(4) HT + HD = DT + H2 -mole_balance D(0)T(0) log_k -0.301029995663 # -log10(2) # # CO2 reactions # last update July 31, 2006 # Checked September 19, 2006 # CO2 + H2[18O] = CO[18O] + H2O log_k 0.301029995663 # log10(2) -add_logk Log_alpha_18O_CO2(aq)/H2O(l) 1.0 2CO[18O] = C[18O]2 + CO2 log_k -0.6020599913279623960 # log10(1/4) [13C]O2 + CO[18O] = [13C]O[18O] + CO2 log_k 0 [13C]O2 + C[18O]2 = [13C][18O]2 + CO2 log_k 0 [14C]O2 + CO[18O] = [14C]O[18O] + CO2 log_k 0 [14C]O2 + C[18O]2 = [14C][18O]2 + CO2 log_k 0 # # HCO3- reactions # last update July 31, 2006 # Checked September 19, 2006 # HCO3- + H2[18O] = HCO2[18O]- + H2O -add_logk Log_alpha_18O_HCO3-/H2O(l) 1.0 HCO2[18O]- = HCO[18O]O- HCO2[18O]- = HC[18O]O2- 2HCO2[18O]- = HCO[18O]2- + HCO3- HCO[18O]2- = HC[18O]O[18O]- HCO[18O]2- = HC[18O]2O- 3HCO2[18O]- = HC[18O]3- + 2HCO3- HDO + HCO3- = DCO3- + H2O log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_D_HCO3-/H2O(l) 1.0 DCO3- + HCO2[18O]- = DCO2[18O]- + HCO3- DCO3- + HCO[18O]O- = DCO[18O]O- + HCO3- DCO3- + HC[18O]O2- = DC[18O]O2- + HCO3- DCO3- + HCO[18O]2- = DCO[18O]2- + HCO3- DCO3- + HC[18O]O[18O]- = DC[18O]O[18O]- + HCO3- DCO3- + HC[18O]2O- = DC[18O]2O- + HCO3- DCO3- + HC[18O]3- = DC[18O]3- + HCO3- HTO + HCO3- = TCO3- + H2O log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_T_HCO3-/H2O(l) 1.0 TCO3- + HCO2[18O]- = TCO2[18O]- + HCO3- TCO3- + HCO[18O]O- = TCO[18O]O- + HCO3- TCO3- + HC[18O]O2- = TC[18O]O2- + HCO3- TCO3- + HCO[18O]2- = TCO[18O]2- + HCO3- TCO3- + HC[18O]O[18O]- = TC[18O]O[18O]- + HCO3- TCO3- + HC[18O]2O- = TC[18O]2O- + HCO3- TCO3- + HC[18O]3- = TC[18O]3- + HCO3- HCO3- + [13C]O2 = H[13C]O3- + CO2 -add_logk Log_alpha_13C_HCO3-/CO2(aq) 1.0 H[13C]O3- + HCO2[18O]- = H[13C]O2[18O]- + HCO3- H[13C]O3- + HCO[18O]O- = H[13C]O[18O]O- + HCO3- H[13C]O3- + HC[18O]O2- = H[13C][18O]O2- + HCO3- H[13C]O3- + HCO[18O]2- = H[13C]O[18O]2- + HCO3- H[13C]O3- + HC[18O]O[18O]- = H[13C][18O]O[18O]- + HCO3- H[13C]O3- + HC[18O]2O- = H[13C][18O]2O- + HCO3- H[13C]O3- + HC[18O]3- = H[13C][18O]3- + HCO3- DCO3- + H[13C]O3- = D[13C]O3- + HCO3- H[13C]O3- + DCO2[18O]- = D[13C]O2[18O]- + HCO3- H[13C]O3- + DCO[18O]O- = D[13C]O[18O]O- + HCO3- H[13C]O3- + DC[18O]O2- = D[13C][18O]O2- + HCO3- H[13C]O3- + DCO[18O]2- = D[13C]O[18O]2- + HCO3- H[13C]O3- + DC[18O]O[18O]- = D[13C][18O]O[18O]- + HCO3- H[13C]O3- + DC[18O]2O- = D[13C][18O]2O- + HCO3- H[13C]O3- + DC[18O]3- = D[13C][18O]3- + HCO3- TCO3- + H[13C]O3- = T[13C]O3- + HCO3- H[13C]O3- + TCO2[18O]- = T[13C]O2[18O]- + HCO3- H[13C]O3- + TCO[18O]O- = T[13C]O[18O]O- + HCO3- H[13C]O3- + TC[18O]O2- = T[13C][18O]O2- + HCO3- H[13C]O3- + TCO[18O]2- = T[13C]O[18O]2- + HCO3- H[13C]O3- + TC[18O]O[18O]- = T[13C][18O]O[18O]- + HCO3- H[13C]O3- + TC[18O]2O- = T[13C][18O]2O- + HCO3- H[13C]O3- + TC[18O]3- = T[13C][18O]3- + HCO3- HCO3- + [14C]O2 = H[14C]O3- + CO2 -add_logk Log_alpha_14C_HCO3-/CO2(aq) 1.0 H[14C]O3- + HCO2[18O]- = H[14C]O2[18O]- + HCO3- H[14C]O3- + HCO[18O]O- = H[14C]O[18O]O- + HCO3- H[14C]O3- + HC[18O]O2- = H[14C][18O]O2- + HCO3- H[14C]O3- + HCO[18O]2- = H[14C]O[18O]2- + HCO3- H[14C]O3- + HC[18O]O[18O]- = H[14C][18O]O[18O]- + HCO3- H[14C]O3- + HC[18O]2O- = H[14C][18O]2O- + HCO3- H[14C]O3- + HC[18O]3- = H[14C][18O]3- + HCO3- DCO3- + H[14C]O3- = D[14C]O3- + HCO3- H[14C]O3- + DCO2[18O]- = D[14C]O2[18O]- + HCO3- H[14C]O3- + DCO[18O]O- = D[14C]O[18O]O- + HCO3- H[14C]O3- + DC[18O]O2- = D[14C][18O]O2- + HCO3- H[14C]O3- + DCO[18O]2- = D[14C]O[18O]2- + HCO3- H[14C]O3- + DC[18O]O[18O]- = D[14C][18O]O[18O]- + HCO3- H[14C]O3- + DC[18O]2O- = D[14C][18O]2O- + HCO3- H[14C]O3- + DC[18O]3- = D[14C][18O]3- + HCO3- TCO3- + H[14C]O3- = T[14C]O3- + HCO3- H[14C]O3- + TCO2[18O]- = T[14C]O2[18O]- + HCO3- H[14C]O3- + TCO[18O]O- = T[14C]O[18O]O- + HCO3- H[14C]O3- + TC[18O]O2- = T[14C][18O]O2- + HCO3- H[14C]O3- + TCO[18O]2- = T[14C]O[18O]2- + HCO3- H[14C]O3- + TC[18O]O[18O]- = T[14C][18O]O[18O]- + HCO3- H[14C]O3- + TC[18O]2O- = T[14C][18O]2O- + HCO3- H[14C]O3- + TC[18O]3- = T[14C][18O]3- + HCO3- # # CO3-2 reactions # last update July 31, 2006 # Checked September 19, 2006 # CO3-2 + H2[18O] = CO2[18O]-2 + H2O log_k 0.477121254719 # log10(3) -add_logk Log_alpha_18O_CO3-2/H2O(l) 1.0 2CO2[18O]-2 = CO[18O]2-2 + CO3-2 log_k -0.477121254719 # -log10(3) CO2[18O]-2 + CO[18O]2-2 = C[18O]3-2 + CO3-2 log_k -0.954242509439324 # log10(1/9) CO3-2 + [13C]O2 = [13C]O3-2 + CO2 -add_logk Log_alpha_13C_CO3-2/CO2(aq) 1.0 [13C]O3-2 + CO2[18O]-2 = [13C]O2[18O]-2 + CO3-2 log_k 0.0 [13C]O3-2 + CO[18O]2-2 = [13C]O[18O]2-2 + CO3-2 log_k 0.0 [13C]O3-2 + C[18O]3-2 = [13C][18O]3-2 + CO3-2 log_k 0.0 CO3-2 + [14C]O2 = [14C]O3-2 + CO2 -add_logk Log_alpha_14C_CO3-2/CO2(aq) 1.0 [14C]O3-2 + CO2[18O]-2 = [14C]O2[18O]-2 + CO3-2 log_k 0.0 [14C]O3-2 + CO[18O]2-2 = [14C]O[18O]2-2 + CO3-2 log_k 0.0 [14C]O3-2 + C[18O]3-2 = [14C][18O]3-2 + CO3-2 log_k 0.0 # # CH4 reactions # Updated September 19, 2006 # Checked September 19, 2006 # CH4 + HDO = CH3D + H2O log_k 0.301029995663981198 # log10(2) -add_logk Log_alpha_D_CH4(aq)/H2O(l) 1.0 2CH3D = CH2D2 + CH4 log_k -0.42596873227228 # log10(3/8) 3CH3D = CHD3 + 2CH4 log_k -1.20411998265 # log10(1/16) 4CH3D = CD4 + 3CH4 log_k -2.408239965311 # log10(1/256) CH4 + HTO = CH3T + H2O log_k 0.301029995663981198 # log10(2) -add_logk Log_alpha_T_CH4(aq)/H2O(l) 1.0 2CH3T = CH2T2 + CH4 log_k -0.42596873227228 # log10(3/8) 3CH3T = CHT3 + 2CH4 log_k -1.20411998265 # log10(1/16) 4CH3T = CT4 + 3CH4 log_k -2.408239965311 # log10(1/256) # # Added mixed DT C methane species May 19, 2006 # CH3T + CHD3 = CD3T + CH4 log_k -0.602059991327962396 # -log10(4) CH2T2 + CH2D2 = CD2T2 + CH4 log_k -0.7781512503836 # -log10(6) CHT3 + CH3D = CDT3 + CH4 log_k -0.602059991327962396 # -log10(4) [13C]O2 + CH4 = [13C]H4 + CO2 -add_logk Log_alpha_13C_CH4(aq)/CO2(aq) 1.0 [13C]H4 + CH3D = [13C]H3D + CH4 [13C]H4 + CH2D2 = [13C]H2D2 + CH4 [13C]H4 + CHD3 = [13C]HD3 + CH4 [13C]H4 + CD4 = [13C]D4 + CH4 [13C]H4 + CH3T = [13C]H3T + CH4 [13C]H4 + CH2T2 = [13C]H2T2 + CH4 [13C]H4 + CHT3 = [13C]HT3 + CH4 [13C]H4 + CT4 = [13C]T4 + CH4 [13C]H4 + CD3T = [13C]D3T + CH4 [13C]H4 + CD2T2 = [13C]D2T2 + CH4 [13C]H4 + CDT3 = [13C]DT3 + CH4 [14C]O2 + CH4 = [14C]H4 + CO2 -add_logk Log_alpha_14C_CH4(aq)/CO2(aq) 1.0 # # Added mixed DT 14C methane species May 19, 2006 # [14C]H4 + CH3D = [14C]H3D + CH4 [14C]H4 + CH2D2 = [14C]H2D2 + CH4 [14C]H4 + CHD3 = [14C]HD3 + CH4 [14C]H4 + CD4 = [14C]D4 + CH4 [14C]H4 + CH3T = [14C]H3T + CH4 [14C]H4 + CH2T2 = [14C]H2T2 + CH4 [14C]H4 + CHT3 = [14C]HT3 + CH4 [14C]H4 + CT4 = [14C]T4 + CH4 [14C]H4 + CD3T = [14C]D3T + CH4 [14C]H4 + CD2T2 = [14C]D2T2 + CH4 [14C]H4 + CDT3 = [14C]DT3 + CH4 # # HSO4- reactions # Updated September 28, 2006 # Checked September 28, 2006 # HSO4- + HDO = DSO4- + H2O log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_D_HSO4-/H2O(l) 1.0 -mole_balance DS(6)O4- HSO4- + HTO = TSO4- + H2O log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_T_HSO4-/H2O(l) 1.0 -mole_balance TS(6)O4- [34S]O4-2 + HSO4- = H[34S]O4- + SO4-2 -add_logk Log_alpha_34S_HSO4-/SO4-2 1.0 -mole_balance H[34S](6)O4- H[34S]O4- + DSO4- = D[34S]O4- + HSO4- -mole_balance D[34S](6)O4 H[34S]O4- + TSO4- = T[34S]O4- + HSO4- -mole_balance T[34S](6)O4- # # S-2 reactions # S-2 + H[34S]- = [34S]-2 + HS- -add_logk Log_alpha_34S_S-2/HS- 1.0 -mole_balance [34S](-2) -gamma 5.0000 0.0000 # # HS- reactions # HS- + HDO = DS- + H2O log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_D_HS-/H2O(l) 1.0 -mole_balance DS(-2) -gamma 3.5000 0.0000 HS- + HTO = TS- + H2O log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_T_HS-/H2O(l) 1.0 -mole_balance TS(-2) -gamma 3.5000 0.0000 HS- + [34S]O4-2 = H[34S]- + SO4-2 -add_logk Log_alpha_34S_HS-/SO4-2 1.0 -mole_balance H[34S](-2) -gamma 3.5000 0.0000 H[34S]- + DS- = D[34S]- + HS- -gamma 3.5000 0.0000 -mole_balance D[34S](-2) H[34S]- + TS- = T[34S]- + HS- -gamma 3.5000 0.0000 -mole_balance T[34S](-2) # # H2S reactions # H2S + HDO = HDS + H2O -add_logk Log_alpha_D_H2S(aq)/H2O(l) 1.0 -mole_balance HDS(-2) 2HDS = D2S + H2S log_k -0.602059991327962396 # -log10(4) -mole_balance D2S(-2) H2S + HTO = HTS + H2O -add_logk Log_alpha_T_H2S(aq)/H2O(l) 1.0 -mole_balance HTS(-2) 2HTS = T2S + H2S log_k -0.602059991327962396 # -log10(4) -mole_balance T2S(-2) HDS + HTS = DTS + H2S log_k -0.301029995663 # log10(1/2) -mole_balance DTS(-2) H[34S]- + H2S = H2[34S] + HS- -add_logk Log_alpha_34S_H2S(aq)/HS- 1.0 -mole_balance H2[34S](-2) H2[34S] + HDS = HD[34S] + H2S -mole_balance HD[34S](-2) H2[34S] + D2S = D2[34S] + H2S -mole_balance D2[34S](-2) H2[34S] + HTS = HT[34S] + H2S -mole_balance HT[34S](-2) H2[34S] + T2S = T2[34S] + H2S -mole_balance T2[34S](-2) H2[34S] + DTS = DT[34S] + H2S -mole_balance DT[34S](-2) # # NO2- reactions # Updated March 20, 2006 # Updated September 19, 2006 # Checked September 19, 2006 # [15N]O3- + NO2- = [15N]O2- + NO3- -add_logk Log_alpha_15N_NO2-/NO3- 1.0 -gamma 3.0000 0.0000 # # N2 reactions # N2 + [15N]O3- = N[15N] + NO3- log_k 0.301029995663 # log10(2) -add_logk Log_alpha_15N_N2(aq)/NO3- 1.0 -mole_balance [15N](0)N(0) 2N[15N] = [15N]2 + N2 log_k -0.602059991327962396 # -log10(4) -mole_balance [15N](0)2 # # NH3 reactions # HDO + NH3 = NH2D + H2O log_k 0.176091259055 # log10(1.5) -add_logk Log_alpha_D_NH3(aq)/H2O(l) 1.0 2NH2D = NHD2 + NH3 log_k -0.477121254719 # -log10(3) 3NH2D = ND3 + 2NH3 -logk -1.431363764158 # log10(1/27) HTO + NH3 = NH2T + H2O log_k 0.176091259055 # log10(1.5) -add_logk Log_alpha_T_NH3(aq)/H2O(l) 1.0 2NH2T = NHT2 + NH3 log_k -0.477121254719662 # log10(1/3) 3NH2T = NT3 + 2NH3 -logk -1.431363764158 # log10(1/27) NHD2 + NH2T = ND2T + NH3 log_k -0.477121254719 # -log10(3) NH2D + NHT2 = NDT2 + NH3 log_k -0.477121254719 # -log10(3) # Checked September 19, 2006 NH3 + [15N]O3- = [15N]H3 + NO3- -add_logk Log_alpha_15N_NH3(aq)/NO3- 1.0 -mole_balance [15N](-3)H3 [15N]H3 + NH2D = [15N]H2D + NH3 [15N]H3 + NHD2 = [15N]HD2 + NH3 [15N]H3 + ND3 = [15N]D3 + NH3 [15N]H3 + NH2T = [15N]H2T + NH3 [15N]H3 + NHT2 = [15N]HT2 + NH3 [15N]H3 + NT3 = [15N]T3 + NH3 [15N]H3 + ND2T = [15N]D2T + NH3 [15N]H3 + NDT2 = [15N]DT2 + NH3 # # NH4+ reactions # Updated September 19, 2006 # Checked September 19, 2006 # HDO + NH4+ = NH3D+ + H2O log_k 0.301029995663 # log10(2) -add_logk Log_alpha_D_NH4+/H2O(l) 1.0 -mole_balance N(-3)H3D -gamma 2.5000 0.0000 2NH3D+ = NH2D2+ + NH4+ log_k -0.42596873227228 # log10(3/8) -mole_balance N(-3)H2D2 -gamma 2.5000 0.0000 3NH3D+ = NHD3+ + 2NH4+ log_k -1.20411998265 # log10(1/16) -mole_balance N(-3)HD3 -gamma 2.5000 0.0000 4NH3D+ = ND4+ + 3NH4+ log_k -2.408239965311 # log10(1/256) -mole_balance N(-3)D4 -gamma 2.5000 0.0000 HTO + NH4+ = NH3T+ + H2O log_k 0.301029995663 # log10(2) -add_logk Log_alpha_T_NH4+/H2O(l) 1.0 -mole_balance N(-3)H3T -gamma 2.5000 0.0000 2NH3T+ = NH2T2+ + NH4+ log_k -0.42596873227228 # log10(3/8) -mole_balance N(-3)H2T2 -gamma 2.5000 0.0000 3NH3T+ = NHT3+ + 2NH4+ log_k -1.20411998265 # log10(1/16) -mole_balance N(-3)HT3 -gamma 2.5000 0.0000 4NH3T+ = NT4+ + 3NH4+ log_k -2.408239965311 # log10(1/256) -mole_balance N(-3)T4 -gamma 2.5000 0.0000 # # Updated September 19, 2006 # Checked September 19, 2006 # NHD3+ + NH3T+ = ND3T+ + NH4+ log_k -0.602059991327962396 # -log10(4) -mole_balance N(-3)D3T -gamma 2.5000 0.0000 NH2D2+ + NH2T2+ = ND2T2+ + NH4+ log_k -0.7781512503836 # -log10(6) -mole_balance N(-3)D2T2 -gamma 2.5000 0.0000 NH3D+ + NHT3+ = NDT3+ + NH4+ log_k -0.602059991327962396 # -log10(4) -mole_balance N(-3)DT3 -gamma 2.5000 0.0000 [15N]H3 + NH4+ = [15N]H4+ + NH3 -add_logk Log_alpha_15N_NH4+/NH3(aq) 1.0 -mole_balance [15N](-3)H4 -gamma 2.5000 0.0000 [15N]H4+ + NH3D+ = [15N]H3D+ + NH4+ -mole_balance [15N](-3)H3D -gamma 2.5000 0.0000 [15N]H4+ + NH2D2+ = [15N]H2D2+ + NH4+ -mole_balance [15N](-3)H2D2 -gamma 2.5000 0.0000 [15N]H4+ + NHD3+ = [15N]HD3+ + NH4+ -mole_balance [15N](-3)HD3 -gamma 2.5000 0.0000 [15N]H4+ + ND4+ = [15N]D4+ + NH4+ -mole_balance [15N](-3)D4+ -gamma 2.5000 0.0000 [15N]H4+ + NH3T+ = [15N]H3T+ + NH4+ -mole_balance [15N](-3)H3T -gamma 2.5000 0.0000 [15N]H4+ + NH2T2+ = [15N]H2T2+ + NH4+ -mole_balance [15N](-3)H2T2 -gamma 2.5000 0.0000 [15N]H4+ + NHT3+ = [15N]HT3+ + NH4+ -mole_balance [15N](-3)HT3 -gamma 2.5000 0.0000 [15N]H4+ + NT4+ = [15N]T4+ + NH4+ -mole_balance [15N](-3)T4+ -gamma 2.5000 0.0000 [15N]H4+ + ND3T+ = [15N]D3T+ + NH4+ -mole_balance [15N](-3)D3T -gamma 2.5000 0.0000 [15N]H4+ + ND2T2+ = [15N]D2T2+ + NH4+ -mole_balance [15N](-3)D2T2 -gamma 2.5000 0.0000 [15N]H4+ + NDT3+ = [15N]DT3+ + NH4+ -mole_balance [15N](-3)DT3 -gamma 2.5000 0.0000 # # Missing NH4SO4- reactions # # # Missing PO4-2 reactions # # # Missing HPO4-2 reactions # # # Missing H2PO4- reactions # # # Added HF reactions 16Dec09 # HF + HDO = DF + H2O HF + HTO = TF + H2O # # Added HF2- reactions 16Dec09 # HF2- + HDO = DF2- + H2O HF2- + HTO = TF2- + H2O # # CaOH reactions # CaOH+ + [18O]H- = Ca[18O]H+ + OH- -mole_balance Ca[18O]H CaOH+ + OD- = CaOD+ + OH- -mole_balance CaOD CaOH+ + [18O]D- = Ca[18O]D+ + OH- -mole_balance Ca[18O]D CaOH+ + OT- = CaOT+ + OH- -mole_balance CaOT+ CaOH+ + [18O]T- = Ca[18O]T+ + OH- -mole_balance Ca[18O]T # # CaCO3 reactions # CaCO3 + CO2[18O]-2 = CaCO2[18O] + CO3-2 CaCO3 + CO[18O]2-2 = CaCO[18O]2 + CO3-2 CaCO3 + C[18O]3-2 = CaC[18O]3 + CO3-2 CaCO3 + [13C]O3-2 = Ca[13C]O3 + CO3-2 CaCO3 + [13C]O2[18O]-2 = Ca[13C]O2[18O] + CO3-2 CaCO3 + [13C]O[18O]2-2 = Ca[13C]O[18O]2 + CO3-2 CaCO3 + [13C][18O]3-2 = Ca[13C][18O]3 + CO3-2 CaCO3 + [14C]O3-2 = Ca[14C]O3 + CO3-2 CaCO3 + [14C]O2[18O]-2 = Ca[14C]O2[18O] + CO3-2 CaCO3 + [14C]O[18O]2-2 = Ca[14C]O[18O]2 + CO3-2 CaCO3 + [14C][18O]3-2 = Ca[14C][18O]3 + CO3-2 # # CaHCO3+ reactions # CaHCO3+ + HCO2[18O]- = CaHCO2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + HCO[18O]O- = CaHCO[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + HC[18O]O2- = CaHC[18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + HCO[18O]2- = CaHCO[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + HC[18O]O[18O]- = CaHC[18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + HC[18O]2O- = CaHC[18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + HC[18O]3- = CaHC[18O]3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C]O3- = CaH[13C]O3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C]O2[18O]- = CaH[13C]O2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C]O[18O]O- = CaH[13C]O[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C][18O]O2- = CaH[13C][18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C]O[18O]2- = CaH[13C]O[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C][18O]O[18O]- = CaH[13C][18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C][18O]2O- = CaH[13C][18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[13C][18O]3- = CaH[13C][18O]3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C]O3- = CaH[14C]O3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C]O2[18O]- = CaH[14C]O2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C]O[18O]O- = CaH[14C]O[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C][18O]O2- = CaH[14C][18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C]O[18O]2- = CaH[14C]O[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C][18O]O[18O]- = CaH[14C][18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C][18O]2O- = CaH[14C][18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + H[14C][18O]3- = CaH[14C][18O]3+ + HCO3- -gamma 5.4000 0.0000 # DCO3- CaHCO3+ + DCO3- = CaDCO3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + DCO2[18O]- = CaDCO2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + DCO[18O]O- = CaDCO[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + DC[18O]O2- = CaDC[18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + DCO[18O]2- = CaDCO[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + DC[18O]O[18O]- = CaDC[18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + DC[18O]2O- = CaDC[18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + DC[18O]3- = CaDC[18O]3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C]O3- = CaD[13C]O3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C]O2[18O]- = CaD[13C]O2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C]O[18O]O- = CaD[13C]O[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C][18O]O2- = CaD[13C][18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C]O[18O]2- = CaD[13C]O[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C][18O]O[18O]- = CaD[13C][18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C][18O]2O- = CaD[13C][18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[13C][18O]3- = CaD[13C][18O]3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C]O3- = CaD[14C]O3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C]O2[18O]- = CaD[14C]O2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C]O[18O]O- = CaD[14C]O[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C][18O]O2- = CaD[14C][18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C]O[18O]2- = CaD[14C]O[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C][18O]O[18O]- = CaD[14C][18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C][18O]2O- = CaD[14C][18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + D[14C][18O]3- = CaD[14C][18O]3+ + HCO3- -gamma 5.4000 0.0000 # TCO3- CaHCO3+ + TCO3- = CaTCO3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + TCO2[18O]- = CaTCO2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + TCO[18O]O- = CaTCO[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + TC[18O]O2- = CaTC[18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + TCO[18O]2- = CaTCO[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + TC[18O]O[18O]- = CaTC[18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + TC[18O]2O- = CaTC[18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + TC[18O]3- = CaTC[18O]3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C]O3- = CaT[13C]O3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C]O2[18O]- = CaT[13C]O2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C]O[18O]O- = CaT[13C]O[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C][18O]O2- = CaT[13C][18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C]O[18O]2- = CaT[13C]O[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C][18O]O[18O]- = CaT[13C][18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C][18O]2O- = CaT[13C][18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[13C][18O]3- = CaT[13C][18O]3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C]O3- = CaT[14C]O3+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C]O2[18O]- = CaT[14C]O2[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C]O[18O]O- = CaT[14C]O[18O]O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C][18O]O2- = CaT[14C][18O]O2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C]O[18O]2- = CaT[14C]O[18O]2+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C][18O]O[18O]- = CaT[14C][18O]O[18O]+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C][18O]2O- = CaT[14C][18O]2O+ + HCO3- -gamma 5.4000 0.0000 CaHCO3+ + T[14C][18O]3- = CaT[14C][18O]3+ + HCO3- -gamma 5.4000 0.0000 # # CaSO4 reactions # # Updated May 17, 2006 CaSO4 + [34S]O4-2 = Ca[34S]O4 + SO4-2 # # CaHSO4+ reactions # CaHSO4+ + H[34S]O4- = CaH[34S]O4+ + HSO4- CaHSO4+ + D[34S]O4- = CaD[34S]O4+ + HSO4- CaHSO4+ + T[34S]O4- = CaT[34S]O4+ + HSO4- # # Missing CaPO4- reactions # # # Missing CaHPO4 reactions # # # Missing CaH2PO4+ reactions # # # MgOH+ reactions # MgOH+ + [18O]H- = Mg[18O]H+ + OH- MgOH+ + OD- = MgOD+ + OH- MgOH+ + [18O]D- = Mg[18O]D+ + OH- MgOH+ + OT- = MgOT+ + OH- MgOH+ + [18O]T- = Mg[18O]T+ + OH- # # MgCO3 reactions # MgCO3 + CO2[18O]-2 = MgCO2[18O] + CO3-2 MgCO3 + CO[18O]2-2 = MgCO[18O]2 + CO3-2 MgCO3 + C[18O]3-2 = MgC[18O]3 + CO3-2 MgCO3 + [13C]O3-2 = Mg[13C]O3 + CO3-2 MgCO3 + [13C]O2[18O]-2 = Mg[13C]O2[18O] + CO3-2 MgCO3 + [13C]O[18O]2-2 = Mg[13C]O[18O]2 + CO3-2 MgCO3 + [13C][18O]3-2 = Mg[13C][18O]3 + CO3-2 MgCO3 + [14C]O3-2 = Mg[14C]O3 + CO3-2 MgCO3 + [14C]O2[18O]-2 = Mg[14C]O2[18O] + CO3-2 MgCO3 + [14C]O[18O]2-2 = Mg[14C]O[18O]2 + CO3-2 MgCO3 + [14C][18O]3-2 = Mg[14C][18O]3 + CO3-2 # # MgHCO3+ reactions # MgHCO3+ + HCO2[18O]- = MgHCO2[18O]+ + HCO3- MgHCO3+ + HCO[18O]O- = MgHCO[18O]O+ + HCO3- MgHCO3+ + HC[18O]O2- = MgHC[18O]O2+ + HCO3- MgHCO3+ + HCO[18O]2- = MgHCO[18O]2+ + HCO3- MgHCO3+ + HC[18O]O[18O]- = MgHC[18O]O[18O]+ + HCO3- MgHCO3+ + HC[18O]2O- = MgHC[18O]2O+ + HCO3- MgHCO3+ + HC[18O]3- = MgHC[18O]3+ + HCO3- MgHCO3+ + H[13C]O3- = MgH[13C]O3+ + HCO3- MgHCO3+ + H[13C]O2[18O]- = MgH[13C]O2[18O]+ + HCO3- MgHCO3+ + H[13C]O[18O]O- = MgH[13C]O[18O]O+ + HCO3- MgHCO3+ + H[13C][18O]O2- = MgH[13C][18O]O2+ + HCO3- MgHCO3+ + H[13C]O[18O]2- = MgH[13C]O[18O]2+ + HCO3- MgHCO3+ + H[13C][18O]O[18O]- = MgH[13C][18O]O[18O]+ + HCO3- MgHCO3+ + H[13C][18O]2O- = MgH[13C][18O]2O+ + HCO3- MgHCO3+ + H[13C][18O]3- = MgH[13C][18O]3+ + HCO3- MgHCO3+ + H[14C]O3- = MgH[14C]O3+ + HCO3- MgHCO3+ + H[14C]O2[18O]- = MgH[14C]O2[18O]+ + HCO3- MgHCO3+ + H[14C]O[18O]O- = MgH[14C]O[18O]O+ + HCO3- MgHCO3+ + H[14C][18O]O2- = MgH[14C][18O]O2+ + HCO3- MgHCO3+ + H[14C]O[18O]2- = MgH[14C]O[18O]2+ + HCO3- MgHCO3+ + H[14C][18O]O[18O]- = MgH[14C][18O]O[18O]+ + HCO3- MgHCO3+ + H[14C][18O]2O- = MgH[14C][18O]2O+ + HCO3- MgHCO3+ + H[14C][18O]3- = MgH[14C][18O]3+ + HCO3- # DCO3- MgHCO3+ + DCO3- = MgDCO3+ + HCO3- MgHCO3+ + DCO2[18O]- = MgDCO2[18O]+ + HCO3- MgHCO3+ + DCO[18O]O- = MgDCO[18O]O+ + HCO3- MgHCO3+ + DC[18O]O2- = MgDC[18O]O2+ + HCO3- MgHCO3+ + DCO[18O]2- = MgDCO[18O]2+ + HCO3- MgHCO3+ + DC[18O]O[18O]- = MgDC[18O]O[18O]+ + HCO3- MgHCO3+ + DC[18O]2O- = MgDC[18O]2O+ + HCO3- MgHCO3+ + DC[18O]3- = MgDC[18O]3+ + HCO3- MgHCO3+ + D[13C]O3- = MgD[13C]O3+ + HCO3- MgHCO3+ + D[13C]O2[18O]- = MgD[13C]O2[18O]+ + HCO3- MgHCO3+ + D[13C]O[18O]O- = MgD[13C]O[18O]O+ + HCO3- MgHCO3+ + D[13C][18O]O2- = MgD[13C][18O]O2+ + HCO3- MgHCO3+ + D[13C]O[18O]2- = MgD[13C]O[18O]2+ + HCO3- MgHCO3+ + D[13C][18O]O[18O]- = MgD[13C][18O]O[18O]+ + HCO3- MgHCO3+ + D[13C][18O]2O- = MgD[13C][18O]2O+ + HCO3- MgHCO3+ + D[13C][18O]3- = MgD[13C][18O]3+ + HCO3- MgHCO3+ + D[14C]O3- = MgD[14C]O3+ + HCO3- MgHCO3+ + D[14C]O2[18O]- = MgD[14C]O2[18O]+ + HCO3- MgHCO3+ + D[14C]O[18O]O- = MgD[14C]O[18O]O+ + HCO3- MgHCO3+ + D[14C][18O]O2- = MgD[14C][18O]O2+ + HCO3- MgHCO3+ + D[14C]O[18O]2- = MgD[14C]O[18O]2+ + HCO3- MgHCO3+ + D[14C][18O]O[18O]- = MgD[14C][18O]O[18O]+ + HCO3- MgHCO3+ + D[14C][18O]2O- = MgD[14C][18O]2O+ + HCO3- MgHCO3+ + D[14C][18O]3- = MgD[14C][18O]3+ + HCO3- # TCO3- MgHCO3+ + TCO3- = MgTCO3+ + HCO3- MgHCO3+ + TCO2[18O]- = MgTCO2[18O]+ + HCO3- MgHCO3+ + TCO[18O]O- = MgTCO[18O]O+ + HCO3- MgHCO3+ + TC[18O]O2- = MgTC[18O]O2+ + HCO3- MgHCO3+ + TCO[18O]2- = MgTCO[18O]2+ + HCO3- MgHCO3+ + TC[18O]O[18O]- = MgTC[18O]O[18O]+ + HCO3- MgHCO3+ + TC[18O]2O- = MgTC[18O]2O+ + HCO3- MgHCO3+ + TC[18O]3- = MgTC[18O]3+ + HCO3- MgHCO3+ + T[13C]O3- = MgT[13C]O3+ + HCO3- MgHCO3+ + T[13C]O2[18O]- = MgT[13C]O2[18O]+ + HCO3- MgHCO3+ + T[13C]O[18O]O- = MgT[13C]O[18O]O+ + HCO3- MgHCO3+ + T[13C][18O]O2- = MgT[13C][18O]O2+ + HCO3- MgHCO3+ + T[13C]O[18O]2- = MgT[13C]O[18O]2+ + HCO3- MgHCO3+ + T[13C][18O]O[18O]- = MgT[13C][18O]O[18O]+ + HCO3- MgHCO3+ + T[13C][18O]2O- = MgT[13C][18O]2O+ + HCO3- MgHCO3+ + T[13C][18O]3- = MgT[13C][18O]3+ + HCO3- MgHCO3+ + T[14C]O3- = MgT[14C]O3+ + HCO3- MgHCO3+ + T[14C]O2[18O]- = MgT[14C]O2[18O]+ + HCO3- MgHCO3+ + T[14C]O[18O]O- = MgT[14C]O[18O]O+ + HCO3- MgHCO3+ + T[14C][18O]O2- = MgT[14C][18O]O2+ + HCO3- MgHCO3+ + T[14C]O[18O]2- = MgT[14C]O[18O]2+ + HCO3- MgHCO3+ + T[14C][18O]O[18O]- = MgT[14C][18O]O[18O]+ + HCO3- MgHCO3+ + T[14C][18O]2O- = MgT[14C][18O]2O+ + HCO3- MgHCO3+ + T[14C][18O]3- = MgT[14C][18O]3+ + HCO3- # # MgSO4 reactions # MgSO4 + [34S]O4-2 = Mg[34S]O4 + SO4-2 # # Missing MgPO4- reactions # # # Missing MgHPO4 reactions # # # Missing Mg2PO4+ reactions # # # NaOH reactions # NaOH + [18O]H- = Na[18O]H + OH- NaOH + OD- = NaOD + OH- NaOH + [18O]D- = Na[18O]D + OH- NaOH + OT- = NaOT + OH- NaOH + [18O]T- = Na[18O]T + OH- # # NaCO3- reactions # NaCO3- + CO2[18O]-2 = NaCO2[18O]- + CO3-2 NaCO3- + CO[18O]2-2 = NaCO[18O]2- + CO3-2 NaCO3- + C[18O]3-2 = NaC[18O]3- + CO3-2 NaCO3- + [13C]O3-2 = Na[13C]O3- + CO3-2 NaCO3- + [13C]O2[18O]-2 = Na[13C]O2[18O]- + CO3-2 NaCO3- + [13C]O[18O]2-2 = Na[13C]O[18O]2- + CO3-2 NaCO3- + [13C][18O]3-2 = Na[13C][18O]3- + CO3-2 NaCO3- + [14C]O3-2 = Na[14C]O3- + CO3-2 NaCO3- + [14C]O2[18O]-2 = Na[14C]O2[18O]- + CO3-2 NaCO3- + [14C]O[18O]2-2 = Na[14C]O[18O]2- + CO3-2 NaCO3- + [14C][18O]3-2 = Na[14C][18O]3- + CO3-2 # # NaHCO3 reactions # NaHCO3 + HCO2[18O]- = NaHCO2[18O] + HCO3- NaHCO3 + HCO[18O]O- = NaHCO[18O]O + HCO3- NaHCO3 + HC[18O]O2- = NaHC[18O]O2 + HCO3- NaHCO3 + HCO[18O]2- = NaHCO[18O]2 + HCO3- NaHCO3 + HC[18O]O[18O]- = NaHC[18O]O[18O] + HCO3- NaHCO3 + HC[18O]2O- = NaHC[18O]2O + HCO3- NaHCO3 + HC[18O]3- = NaHC[18O]3 + HCO3- NaHCO3 + H[13C]O3- = NaH[13C]O3 + HCO3- NaHCO3 + H[13C]O2[18O]- = NaH[13C]O2[18O] + HCO3- NaHCO3 + H[13C]O[18O]O- = NaH[13C]O[18O]O + HCO3- NaHCO3 + H[13C][18O]O2- = NaH[13C][18O]O2 + HCO3- NaHCO3 + H[13C]O[18O]2- = NaH[13C]O[18O]2 + HCO3- NaHCO3 + H[13C][18O]O[18O]- = NaH[13C][18O]O[18O] + HCO3- NaHCO3 + H[13C][18O]2O- = NaH[13C][18O]2O + HCO3- NaHCO3 + H[13C][18O]3- = NaH[13C][18O]3 + HCO3- NaHCO3 + H[14C]O3- = NaH[14C]O3 + HCO3- NaHCO3 + H[14C]O2[18O]- = NaH[14C]O2[18O] + HCO3- NaHCO3 + H[14C]O[18O]O- = NaH[14C]O[18O]O + HCO3- NaHCO3 + H[14C][18O]O2- = NaH[14C][18O]O2 + HCO3- NaHCO3 + H[14C]O[18O]2- = NaH[14C]O[18O]2 + HCO3- NaHCO3 + H[14C][18O]O[18O]- = NaH[14C][18O]O[18O] + HCO3- NaHCO3 + H[14C][18O]2O- = NaH[14C][18O]2O + HCO3- NaHCO3 + H[14C][18O]3- = NaH[14C][18O]3 + HCO3- # DCO3- NaHCO3 + DCO3- = NaDCO3 + HCO3- NaHCO3 + DCO2[18O]- = NaDCO2[18O] + HCO3- NaHCO3 + DCO[18O]O- = NaDCO[18O]O + HCO3- NaHCO3 + DC[18O]O2- = NaDC[18O]O2 + HCO3- NaHCO3 + DCO[18O]2- = NaDCO[18O]2 + HCO3- NaHCO3 + DC[18O]O[18O]- = NaDC[18O]O[18O] + HCO3- NaHCO3 + DC[18O]2O- = NaDC[18O]2O + HCO3- NaHCO3 + DC[18O]3- = NaDC[18O]3 + HCO3- NaHCO3 + D[13C]O3- = NaD[13C]O3 + HCO3- NaHCO3 + D[13C]O2[18O]- = NaD[13C]O2[18O] + HCO3- NaHCO3 + D[13C]O[18O]O- = NaD[13C]O[18O]O + HCO3- NaHCO3 + D[13C][18O]O2- = NaD[13C][18O]O2 + HCO3- NaHCO3 + D[13C]O[18O]2- = NaD[13C]O[18O]2 + HCO3- NaHCO3 + D[13C][18O]O[18O]- = NaD[13C][18O]O[18O] + HCO3- NaHCO3 + D[13C][18O]2O- = NaD[13C][18O]2O + HCO3- NaHCO3 + D[13C][18O]3- = NaD[13C][18O]3 + HCO3- NaHCO3 + D[14C]O3- = NaD[14C]O3 + HCO3- NaHCO3 + D[14C]O2[18O]- = NaD[14C]O2[18O] + HCO3- NaHCO3 + D[14C]O[18O]O- = NaD[14C]O[18O]O + HCO3- NaHCO3 + D[14C][18O]O2- = NaD[14C][18O]O2 + HCO3- NaHCO3 + D[14C]O[18O]2- = NaD[14C]O[18O]2 + HCO3- NaHCO3 + D[14C][18O]O[18O]- = NaD[14C][18O]O[18O] + HCO3- NaHCO3 + D[14C][18O]2O- = NaD[14C][18O]2O + HCO3- NaHCO3 + D[14C][18O]3- = NaD[14C][18O]3 + HCO3- # TCO3- NaHCO3 + TCO3- = NaTCO3 + HCO3- NaHCO3 + TCO2[18O]- = NaTCO2[18O] + HCO3- NaHCO3 + TCO[18O]O- = NaTCO[18O]O + HCO3- NaHCO3 + TC[18O]O2- = NaTC[18O]O2 + HCO3- NaHCO3 + TCO[18O]2- = NaTCO[18O]2 + HCO3- NaHCO3 + TC[18O]O[18O]- = NaTC[18O]O[18O] + HCO3- NaHCO3 + TC[18O]2O- = NaTC[18O]2O + HCO3- NaHCO3 + TC[18O]3- = NaTC[18O]3 + HCO3- NaHCO3 + T[13C]O3- = NaT[13C]O3 + HCO3- NaHCO3 + T[13C]O2[18O]- = NaT[13C]O2[18O] + HCO3- NaHCO3 + T[13C]O[18O]O- = NaT[13C]O[18O]O + HCO3- NaHCO3 + T[13C][18O]O2- = NaT[13C][18O]O2 + HCO3- NaHCO3 + T[13C]O[18O]2- = NaT[13C]O[18O]2 + HCO3- NaHCO3 + T[13C][18O]O[18O]- = NaT[13C][18O]O[18O] + HCO3- NaHCO3 + T[13C][18O]2O- = NaT[13C][18O]2O + HCO3- NaHCO3 + T[13C][18O]3- = NaT[13C][18O]3 + HCO3- NaHCO3 + T[14C]O3- = NaT[14C]O3 + HCO3- NaHCO3 + T[14C]O2[18O]- = NaT[14C]O2[18O] + HCO3- NaHCO3 + T[14C]O[18O]O- = NaT[14C]O[18O]O + HCO3- NaHCO3 + T[14C][18O]O2- = NaT[14C][18O]O2 + HCO3- NaHCO3 + T[14C]O[18O]2- = NaT[14C]O[18O]2 + HCO3- NaHCO3 + T[14C][18O]O[18O]- = NaT[14C][18O]O[18O] + HCO3- NaHCO3 + T[14C][18O]2O- = NaT[14C][18O]2O + HCO3- NaHCO3 + T[14C][18O]3- = NaT[14C][18O]3 + HCO3- # # NaSO4- reactions # NaSO4- + [34S]O4-2 = Na[34S]O4- + SO4-2 # # Missing NaHPO4- reactions # # # KOH reactions # KOH + [18O]H- = K[18O]H + OH- KOH + OD- = KOD + OH- KOH + [18O]D- = K[18O]D + OH- KOH + OT- = KOT + OH- KOH + [18O]T- = K[18O]T + OH- # # KSO4- reactions # KSO4- + [34S]O4-2 = K[34S]O4- + SO4-2 # # Added FeOH+ reactions 16Dec09 # FeOH+ + OD- = FeOD+ + OH- FeOH+ + OT- = FeOT+ + OH- FeOH+ + [18O]H- = Fe[18O]H+ + OH- FeOH+ + [18O]D- = Fe[18O]D+ + OH- FeOH+ + [18O]T- = Fe[18O]T+ + OH- # # Added FeCO3 reactions 16Dec09 # Checked 17Dec09 # FeCO3 + CO2[18O]-2 = FeCO2[18O] + CO3-2 FeCO3 + CO[18O]2-2 = FeCO[18O]2 + CO3-2 FeCO3 + C[18O]3-2 = FeC[18O]3 + CO3-2 FeCO3 + [13C]O3-2 = Fe[13C]O3 + CO3-2 FeCO3 + [13C]O2[18O]-2 = Fe[13C]O2[18O] + CO3-2 FeCO3 + [13C]O[18O]2-2 = Fe[13C]O[18O]2 + CO3-2 FeCO3 + [13C][18O]3-2 = Fe[13C][18O]3 + CO3-2 FeCO3 + [14C]O3-2 = Fe[14C]O3 + CO3-2 FeCO3 + [14C]O2[18O]-2 = Fe[14C]O2[18O] + CO3-2 FeCO3 + [14C]O[18O]2-2 = Fe[14C]O[18O]2 + CO3-2 FeCO3 + [14C][18O]3-2 = Fe[14C][18O]3 + CO3-2 # # Added FeHCO3+ reactions 16Dec09 # Revised 17Dec09 # FeHCO3+ + HCO2[18O]- = FeHCO2[18O]+ + HCO3- FeHCO3+ + HCO[18O]O- = FeHCO[18O]O+ + HCO3- FeHCO3+ + HCO[18O]2- = FeHCO[18O]2+ + HCO3- FeHCO3+ + HC[18O]O2- = FeHC[18O]O2+ + HCO3- FeHCO3+ + HC[18O]O[18O]- = FeHC[18O]O[18O]+ + HCO3- FeHCO3+ + HC[18O]2O- = FeHC[18O]2O+ + HCO3- FeHCO3+ + HC[18O]3- = FeHC[18O]3+ + HCO3- FeHCO3+ + H[13C]O3- = FeH[13C]O3+ + HCO3- FeHCO3+ + H[13C]O2[18O]- = FeH[13C]O2[18O]+ + HCO3- FeHCO3+ + H[13C]O[18O]O- = FeH[13C]O[18O]O+ + HCO3- FeHCO3+ + H[13C]O[18O]2- = FeH[13C]O[18O]2+ + HCO3- FeHCO3+ + H[13C][18O]O2- = FeH[13C][18O]O2+ + HCO3- FeHCO3+ + H[13C][18O]O[18O]- = FeH[13C][18O]O[18O]+ + HCO3- FeHCO3+ + H[13C][18O]2O- = FeH[13C][18O]2O+ + HCO3- FeHCO3+ + H[13C][18O]3- = FeH[13C][18O]3+ + HCO3- FeHCO3+ + H[14C]O3- = FeH[14C]O3+ + HCO3- FeHCO3+ + H[14C]O2[18O]- = FeH[14C]O2[18O]+ + HCO3- FeHCO3+ + H[14C]O[18O]O- = FeH[14C]O[18O]O+ + HCO3- FeHCO3+ + H[14C]O[18O]2- = FeH[14C]O[18O]2+ + HCO3- FeHCO3+ + H[14C][18O]O2- = FeH[14C][18O]O2+ + HCO3- FeHCO3+ + H[14C][18O]O[18O]- = FeH[14C][18O]O[18O]+ + HCO3- FeHCO3+ + H[14C][18O]2O- = FeH[14C][18O]2O+ + HCO3- FeHCO3+ + H[14C][18O]3- = FeH[14C][18O]3+ + HCO3- FeHCO3+ + DCO3- = FeDCO3+ + HCO3- FeHCO3+ + DCO2[18O]- = FeDCO2[18O]+ + HCO3- FeHCO3+ + DCO[18O]O- = FeDCO[18O]O+ + HCO3- FeHCO3+ + DCO[18O]2- = FeDCO[18O]2+ + HCO3- FeHCO3+ + DC[18O]O2- = FeDC[18O]O2+ + HCO3- FeHCO3+ + DC[18O]O[18O]- = FeDC[18O]O[18O]+ + HCO3- FeHCO3+ + DC[18O]2O- = FeDC[18O]2O+ + HCO3- FeHCO3+ + DC[18O]3- = FeDC[18O]3+ + HCO3- FeHCO3+ + D[13C]O3- = FeD[13C]O3+ + HCO3- FeHCO3+ + D[13C]O2[18O]- = FeD[13C]O2[18O]+ + HCO3- FeHCO3+ + D[13C]O[18O]O- = FeD[13C]O[18O]O+ + HCO3- FeHCO3+ + D[13C]O[18O]2- = FeD[13C]O[18O]2+ + HCO3- FeHCO3+ + D[13C][18O]O2- = FeD[13C][18O]O2+ + HCO3- FeHCO3+ + D[13C][18O]O[18O]- = FeD[13C][18O]O[18O]+ + HCO3- FeHCO3+ + D[13C][18O]2O- = FeD[13C][18O]2O+ + HCO3- FeHCO3+ + D[13C][18O]3- = FeD[13C][18O]3+ + HCO3- FeHCO3+ + D[14C]O3- = FeD[14C]O3+ + HCO3- FeHCO3+ + D[14C]O2[18O]- = FeD[14C]O2[18O]+ + HCO3- FeHCO3+ + D[14C]O[18O]O- = FeD[14C]O[18O]O+ + HCO3- FeHCO3+ + D[14C]O[18O]2- = FeD[14C]O[18O]2+ + HCO3- FeHCO3+ + D[14C][18O]O2- = FeD[14C][18O]O2+ + HCO3- FeHCO3+ + D[14C][18O]O[18O]- = FeD[14C][18O]O[18O]+ + HCO3- FeHCO3+ + D[14C][18O]2O- = FeD[14C][18O]2O+ + HCO3- FeHCO3+ + D[14C][18O]3- = FeD[14C][18O]3+ + HCO3- FeHCO3+ + TCO3- = FeTCO3+ + HCO3- FeHCO3+ + TCO2[18O]- = FeTCO2[18O]+ + HCO3- FeHCO3+ + TCO[18O]O- = FeTCO[18O]O+ + HCO3- FeHCO3+ + TCO[18O]2- = FeTCO[18O]2+ + HCO3- FeHCO3+ + TC[18O]O2- = FeTC[18O]O2+ + HCO3- FeHCO3+ + TC[18O]O[18O]- = FeTC[18O]O[18O]+ + HCO3- FeHCO3+ + TC[18O]2O- = FeTC[18O]2O+ + HCO3- FeHCO3+ + TC[18O]3- = FeTC[18O]3+ + HCO3- FeHCO3+ + T[13C]O3- = FeT[13C]O3+ + HCO3- FeHCO3+ + T[13C]O2[18O]- = FeT[13C]O2[18O]+ + HCO3- FeHCO3+ + T[13C]O[18O]O- = FeT[13C]O[18O]O+ + HCO3- FeHCO3+ + T[13C]O[18O]2- = FeT[13C]O[18O]2+ + HCO3- FeHCO3+ + T[13C][18O]O2- = FeT[13C][18O]O2+ + HCO3- FeHCO3+ + T[13C][18O]O[18O]- = FeT[13C][18O]O[18O]+ + HCO3- FeHCO3+ + T[13C][18O]2O- = FeT[13C][18O]2O+ + HCO3- FeHCO3+ + T[13C][18O]3- = FeT[13C][18O]3+ + HCO3- FeHCO3+ + T[14C]O3- = FeT[14C]O3+ + HCO3- FeHCO3+ + T[14C]O2[18O]- = FeT[14C]O2[18O]+ + HCO3- FeHCO3+ + T[14C]O[18O]O- = FeT[14C]O[18O]O+ + HCO3- FeHCO3+ + T[14C]O[18O]2- = FeT[14C]O[18O]2+ + HCO3- FeHCO3+ + T[14C][18O]O2- = FeT[14C][18O]O2+ + HCO3- FeHCO3+ + T[14C][18O]O[18O]- = FeT[14C][18O]O[18O]+ + HCO3- FeHCO3+ + T[14C][18O]2O- = FeT[14C][18O]2O+ + HCO3- FeHCO3+ + T[14C][18O]3- = FeT[14C][18O]3+ + HCO3- # # Added FeSO4 reactions 16Dec09 # FeSO4 + [34S]O4-2 = Fe[34S]O4 + SO4-2 # # Added FeHSO4+ reactions 16Dec09 # FeHSO4+ + DSO4- = FeDSO4+ + HSO4- FeHSO4+ + TSO4- = FeTSO4+ + HSO4- FeHSO4+ + H[34S]O4- = FeH[34S]O4+ + HSO4- FeHSO4+ + D[34S]O4- = FeD[34S]O4+ + HSO4- FeHSO4+ + T[34S]O4- = FeT[34S]O4+ + HSO4- # # Added Fe(HS)2 reactions 16Dec09 # Revised 17Dec09, limited the number of species # Fe(HS)2 + HS- + DS- = FeHSDS + 2HS- Fe(HS)2 + HS- + TS- = FeHSTS + 2HS- Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2HS- Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2HS- Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2HS- Fe(HS)2 + DS- + HS- = FeDSHS + 2HS- Fe(HS)2 + DS- + DS- = FeDSDS + 2HS- Fe(HS)2 + DS- + TS- = FeDSTS + 2HS- Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2HS- Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2HS- Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2HS- Fe(HS)2 + TS- + HS- = FeTSHS + 2HS- Fe(HS)2 + TS- + DS- = FeTSDS + 2HS- Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2HS- Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2HS- Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2HS- Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2HS- Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2HS- Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2HS- Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2HS- Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2HS- Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2HS- Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2HS- Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2HS- Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2HS- Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2HS- Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2HS- Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2HS- Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2HS- Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2HS- Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2HS- # # Added Fe(HS)3- reactions 16Dec09 # Revised 17Dec09, limited the number of species # Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3HS- Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3HS- Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3HS- Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3HS- Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3HS- Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3HS- Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3HS- Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3HS- Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3HS- Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3HS- Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3HS- Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3HS- Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3HS- Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3HS- Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3HS- Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3HS- Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3HS- Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3HS- Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3HS- Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3HS- Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3HS- Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3HS- Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3HS- Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3HS- Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3HS- Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3HS- Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3HS- Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3HS- Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3HS- Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3HS- Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3HS- Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3HS- Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3HS- Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3HS- Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3HS- Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3HS- Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3HS- Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3HS- Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3HS- Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3HS- Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3HS- Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3HS- Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3HS- Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3HS- Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3HS- Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3HS- Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3HS- Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3HS- Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3HS- Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3HS- Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3HS- Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3HS- Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3HS- Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3HS- Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3HS- Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3HS- Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3HS- Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3HS- Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3HS- Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3HS- Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3HS- Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3HS- Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3HS- Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3HS- Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3HS- Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3HS- Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3HS- Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3HS- Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3HS- Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3HS- Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3HS- Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3HS- Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3HS- Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3HS- Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3HS- Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3HS- Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3HS- Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3HS- Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3HS- Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3HS- Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3HS- Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3HS- Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3HS- Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3HS- Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3HS- Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3HS- Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3HS- Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3HS- Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3HS- Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3HS- Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3HS- Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3HS- Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3HS- Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3HS- Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3HS- Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3HS- Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3HS- Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3HS- Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3HS- Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3HS- Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3HS- Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3HS- Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3HS- Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3HS- Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3HS- Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3HS- Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3HS- Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3HS- Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3HS- Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3HS- Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3HS- Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3HS- Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3HS- Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3HS- Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3HS- Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3HS- Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3HS- Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3HS- Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3HS- Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3HS- Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3HS- Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3HS- Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3HS- Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3HS- Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3HS- Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3HS- Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3HS- Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3HS- Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3HS- Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3HS- # # Missing FeHPO4 reactions # # # Missing FeH2PO4+ reactions # # # Added FeOH+2 reactions 16Dec09 # FeOH+2 + OD- = FeOD+2 + OH- FeOH+2 + OT- = FeOT+2 + OH- FeOH+2 + [18O]H- = Fe[18O]H+2 + OH- FeOH+2 + [18O]D- = Fe[18O]D+2 + OH- FeOH+2 + [18O]T- = Fe[18O]T+2 + OH- # # Added Fe(OH)2+ reactions 16Dec09 # Revised 17Dec09, limited the number of species # Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2OH- Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2OH- Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2OH- Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2OH- Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2OH- Fe(OH)2+ + OD- + OH- = FeODOH+ + 2OH- Fe(OH)2+ + OD- + OD- = FeODOD+ + 2OH- Fe(OH)2+ + OD- + OT- = FeODOT+ + 2OH- Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2OH- Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2OH- Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2OH- Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2OH- Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2OH- Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2OH- Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2OH- Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2OH- Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2OH- Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2OH- Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2OH- Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2OH- Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2OH- Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2OH- Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2OH- Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2OH- Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2OH- Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2OH- Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2OH- Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2OH- Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2OH- Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2OH- Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2OH- # # Added Fe(OH)3 reactions 16Dec09 # Revised 17Dec09, limited the number of species # Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3OH- Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3OH- Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3OH- Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3OH- Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3OH- Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3OH- Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3OH- Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3OH- Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3OH- Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3OH- Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3OH- Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3OH- Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3OH- Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3OH- Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3OH- Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3OH- Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3OH- Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3OH- Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3OH- Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3OH- Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3OH- Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3OH- Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3OH- Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3OH- Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3OH- Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3OH- Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3OH- Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3OH- Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3OH- Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3OH- Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3OH- Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3OH- Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3OH- Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3OH- Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3OH- Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3OH- Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3OH- Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3OH- Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3OH- Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3OH- Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3OH- Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3OH- Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3OH- Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3OH- Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3OH- Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3OH- Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3OH- Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3OH- Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3OH- Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3OH- Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3OH- Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3OH- Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3OH- Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3OH- Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3OH- Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3OH- Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3OH- Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3OH- Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3OH- Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3OH- Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3OH- Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3OH- Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3OH- Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3OH- Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3OH- Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3OH- Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3OH- Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3OH- Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3OH- Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3OH- Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3OH- Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3OH- Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3OH- Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3OH- Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3OH- Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3OH- Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3OH- Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3OH- Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3OH- Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3OH- Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3OH- Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3OH- Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3OH- Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3OH- Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3OH- Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3OH- Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3OH- Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3OH- Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3OH- Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3OH- Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3OH- Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3OH- Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3OH- Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3OH- Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3OH- Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3OH- Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3OH- Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3OH- Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3OH- Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3OH- Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3OH- Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3OH- Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3OH- Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3OH- Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3OH- Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3OH- Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3OH- Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3OH- Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3OH- Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3OH- Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3OH- Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3OH- Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3OH- Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3OH- Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3OH- Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3OH- Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3OH- Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3OH- Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3OH- Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3OH- Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3OH- Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3OH- Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3OH- # # Added Fe(OH)4- reactions 16Dec09 # Revised 17Dec09, limited the number of species # Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4OH- Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4OH- Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4OH- Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4OH- Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4OH- Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4OH- Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4OH- Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4OH- Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4OH- Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4OH- Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4OH- Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4OH- Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4OH- Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4OH- Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4OH- Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4OH- Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4OH- Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4OH- Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4OH- Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4OH- Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4OH- Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4OH- Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4OH- Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4OH- Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4OH- Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4OH- Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4OH- Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4OH- Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4OH- Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4OH- Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4OH- Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4OH- Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4OH- Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4OH- Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4OH- Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4OH- Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4OH- Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4OH- Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4OH- Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4OH- Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4OH- Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4OH- Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4OH- Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4OH- Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4OH- Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4OH- Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4OH- Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4OH- Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4OH- Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4OH- Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4OH- Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4OH- Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4OH- Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4OH- Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4OH- Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4OH- Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4OH- Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4OH- Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4OH- Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4OH- Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4OH- Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4OH- Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4OH- Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4OH- Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4OH- Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4OH- Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4OH- Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4OH- Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4OH- Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4OH- Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4OH- Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4OH- Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4OH- Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4OH- Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4OH- Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4OH- Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4OH- Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4OH- Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4OH- Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4OH- Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4OH- Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4OH- Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4OH- Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4OH- Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4OH- Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4OH- Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4OH- Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4OH- Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4OH- Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4OH- Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4OH- Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4OH- Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4OH- Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4OH- Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4OH- Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4OH- Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4OH- Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4OH- Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4OH- Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4OH- Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4OH- Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4OH- Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4OH- Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4OH- Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4OH- Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4OH- Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4OH- Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4OH- Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4OH- Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4OH- Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4OH- Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4OH- Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4OH- Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4OH- Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4OH- Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4OH- Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4OH- Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4OH- Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4OH- Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4OH- Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4OH- Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4OH- Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4OH- Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4OH- Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4OH- Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4OH- Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4OH- Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4OH- Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4OH- Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4OH- Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4OH- Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4OH- Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4OH- Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4OH- Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4OH- Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4OH- Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4OH- Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4OH- Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4OH- Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4OH- Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4OH- Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4OH- Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4OH- Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4OH- Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4OH- Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4OH- Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4OH- Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4OH- Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4OH- Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4OH- Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4OH- Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4OH- Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4OH- Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4OH- Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4OH- Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4OH- Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4OH- Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4OH- Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4OH- Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4OH- Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4OH- Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4OH- Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4OH- Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4OH- Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4OH- Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4OH- Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4OH- Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4OH- Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4OH- Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4OH- Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4OH- Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4OH- Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4OH- Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4OH- Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4OH- Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4OH- Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4OH- Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4OH- Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4OH- Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4OH- Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4OH- Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4OH- Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4OH- Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4OH- Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4OH- Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4OH- Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4OH- Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4OH- Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4OH- Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4OH- Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4OH- Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4OH- Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4OH- Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4OH- Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4OH- Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4OH- Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4OH- Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4OH- Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4OH- Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4OH- Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4OH- Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4OH- Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4OH- Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4OH- Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4OH- Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4OH- Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4OH- Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4OH- Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4OH- Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4OH- Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4OH- Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4OH- Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4OH- Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4OH- Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4OH- Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4OH- Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4OH- Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4OH- Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4OH- Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4OH- Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4OH- Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4OH- Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4OH- Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4OH- Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4OH- Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4OH- Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4OH- Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4OH- Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4OH- Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4OH- Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4OH- Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4OH- Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4OH- Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4OH- Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4OH- Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4OH- Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4OH- Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4OH- Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4OH- Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4OH- Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4OH- Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4OH- Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4OH- Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4OH- Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4OH- Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4OH- Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4OH- Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4OH- Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4OH- Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4OH- Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4OH- Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4OH- Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4OH- Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4OH- Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4OH- Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4OH- Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4OH- Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4OH- Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4OH- Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4OH- Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4OH- Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4OH- Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4OH- Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4OH- Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4OH- Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4OH- Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4OH- Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4OH- Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4OH- Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4OH- Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4OH- Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4OH- Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4OH- Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4OH- Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4OH- Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4OH- Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4OH- Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4OH- Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4OH- Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4OH- Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4OH- Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4OH- Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4OH- Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4OH- Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4OH- Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4OH- Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4OH- Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4OH- Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4OH- Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4OH- Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4OH- Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4OH- Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4OH- Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4OH- Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4OH- Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4OH- Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4OH- Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4OH- Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4OH- Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4OH- Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4OH- Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4OH- Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4OH- Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4OH- Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4OH- Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4OH- Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4OH- Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4OH- Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4OH- Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4OH- Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4OH- Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4OH- Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4OH- Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4OH- Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4OH- Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4OH- # # Added Fe2(OH)2+4 reactions 16Dec09 # Revised 17Dec09, limited the number of species # Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2OH- Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2OH- Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2OH- Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2OH- Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2OH- Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2OH- Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2OH- Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2OH- Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2OH- Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2OH- Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2OH- Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2OH- Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2OH- Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2OH- Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2OH- Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2OH- Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2OH- Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2OH- Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2OH- Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2OH- Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2OH- Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2OH- Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2OH- Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2OH- Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2OH- Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2OH- Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2OH- Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2OH- Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2OH- Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2OH- Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2OH- # # Added Fe3(OH)4+5 reactions 16Dec09 # Revised 17Dec09, limited the number of species # Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4OH- Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4OH- Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4OH- Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4OH- Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4OH- Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4OH- Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4OH- Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4OH- Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4OH- Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4OH- # # Added FeSO4+ reactions 16Dec09 # FeSO4+ + [34S]O4-2 = Fe[34S]O4+ + SO4-2 # # Added FeHSO4+2 reactions 16Dec09 # FeHSO4+2 + DSO4- = FeDSO4+2 + HSO4- FeHSO4+2 + TSO4- = FeTSO4+2 + HSO4- FeHSO4+2 + H[34S]O4- = FeH[34S]O4+2 + HSO4- FeHSO4+2 + D[34S]O4- = FeD[34S]O4+2 + HSO4- FeHSO4+2 + T[34S]O4- = FeT[34S]O4+2 + HSO4- # # Added Fe(SO4)2- reactions 16Dec09 # Revised 17Dec09 # Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2SO4-2 Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2SO4-2 Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2SO4-2 # # Missing FeHPO4+ reactions # # # Missing FeH2PO4+2 reactions # # # Added AlOH+2 reactions 16Dec09 # AlOH+2 + OD- = AlOD+2 + OH- AlOH+2 + OT- = AlOT+2 + OH- AlOH+2 + [18O]H- = Al[18O]H+2 + OH- AlOH+2 + [18O]D- = Al[18O]D+2 + OH- AlOH+2 + [18O]T- = Al[18O]T+2 + OH- # # Added Al(OH)2+ reactions 16Dec09 # Revised 17Dec09, limited the number of species # Al(OH)2+ + OH- + OD- = AlOHOD+ + 2OH- Al(OH)2+ + OH- + OT- = AlOHOT+ + 2OH- Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2OH- Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2OH- Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2OH- Al(OH)2+ + OD- + OH- = AlODOH+ + 2OH- Al(OH)2+ + OD- + OD- = AlODOD+ + 2OH- Al(OH)2+ + OD- + OT- = AlODOT+ + 2OH- Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2OH- Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2OH- Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2OH- Al(OH)2+ + OT- + OH- = AlOTOH+ + 2OH- Al(OH)2+ + OT- + OD- = AlOTOD+ + 2OH- Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2OH- Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2OH- Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2OH- Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2OH- Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2OH- Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2OH- Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2OH- Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2OH- Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2OH- Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2OH- Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2OH- Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2OH- Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2OH- Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2OH- Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2OH- Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2OH- Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2OH- Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2OH- # # Added Al(OH)3 reactions 16Dec09 # Revised 17Dec09, limited the number of species # Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3OH- Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3OH- Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3OH- Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3OH- Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3OH- Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3OH- Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3OH- Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3OH- Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3OH- Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3OH- Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3OH- Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3OH- Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3OH- Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3OH- Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3OH- Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3OH- Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3OH- Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3OH- Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3OH- Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3OH- Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3OH- Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3OH- Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3OH- Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3OH- Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3OH- Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3OH- Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3OH- Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3OH- Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3OH- Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3OH- Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3OH- Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3OH- Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3OH- Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3OH- Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3OH- Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3OH- Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3OH- Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3OH- Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3OH- Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3OH- Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3OH- Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3OH- Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3OH- Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3OH- Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3OH- Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3OH- Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3OH- Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3OH- Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3OH- Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3OH- Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3OH- Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3OH- Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3OH- Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3OH- Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3OH- Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3OH- Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3OH- Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3OH- Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3OH- Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3OH- Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3OH- Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3OH- Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3OH- Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3OH- Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3OH- Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3OH- Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3OH- Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3OH- Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3OH- Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3OH- Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3OH- Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3OH- Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3OH- Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3OH- Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3OH- Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3OH- Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3OH- Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3OH- Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3OH- Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3OH- Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3OH- Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3OH- Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3OH- Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3OH- Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3OH- Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3OH- Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3OH- Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3OH- Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3OH- Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3OH- Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3OH- Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3OH- Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3OH- Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3OH- Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3OH- Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3OH- Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3OH- Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3OH- Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3OH- Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3OH- Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3OH- Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3OH- Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3OH- Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3OH- Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3OH- Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3OH- Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3OH- Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3OH- Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3OH- Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3OH- Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3OH- Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3OH- Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3OH- Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3OH- Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3OH- Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3OH- Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3OH- Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3OH- Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3OH- Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3OH- Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3OH- Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3OH- Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3OH- # # Added Al(OH)4- reactions 16Dec09 # Revised 17Dec09, limited the number of species # Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4OH- Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4OH- Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4OH- Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4OH- Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4OH- Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4OH- Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4OH- Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4OH- Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4OH- Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4OH- Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4OH- Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4OH- Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4OH- Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4OH- Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4OH- Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4OH- Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4OH- Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4OH- Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4OH- Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4OH- Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4OH- Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4OH- Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4OH- Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4OH- Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4OH- Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4OH- Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4OH- Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4OH- Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4OH- Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4OH- Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4OH- Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4OH- Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4OH- Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4OH- Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4OH- Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4OH- Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4OH- Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4OH- Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4OH- Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4OH- Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4OH- Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4OH- Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4OH- Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4OH- Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4OH- Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4OH- Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4OH- Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4OH- Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4OH- Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4OH- Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4OH- Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4OH- Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4OH- Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4OH- Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4OH- Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4OH- Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4OH- Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4OH- Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4OH- Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4OH- Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4OH- Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4OH- Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4OH- Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4OH- Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4OH- Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4OH- Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4OH- Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4OH- Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4OH- Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4OH- Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4OH- Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4OH- Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4OH- Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4OH- Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4OH- Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4OH- Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4OH- Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4OH- Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4OH- Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4OH- Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4OH- Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4OH- Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4OH- Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4OH- Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4OH- Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4OH- Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4OH- Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4OH- Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4OH- Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4OH- Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4OH- Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4OH- Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4OH- Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4OH- Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4OH- Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4OH- Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4OH- Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4OH- Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4OH- Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4OH- Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4OH- Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4OH- Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4OH- Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4OH- Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4OH- Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4OH- Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4OH- Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4OH- Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4OH- Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4OH- Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4OH- Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4OH- Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4OH- Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4OH- Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4OH- Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4OH- Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4OH- Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4OH- Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4OH- Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4OH- Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4OH- Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4OH- Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4OH- Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4OH- Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4OH- Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4OH- Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4OH- Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4OH- Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4OH- Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4OH- Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4OH- Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4OH- Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4OH- Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4OH- Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4OH- Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4OH- Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4OH- Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4OH- Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4OH- Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4OH- Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4OH- Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4OH- Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4OH- Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4OH- Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4OH- Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4OH- Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4OH- Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4OH- Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4OH- Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4OH- Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4OH- Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4OH- Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4OH- Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4OH- Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4OH- Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4OH- Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4OH- Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4OH- Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4OH- Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4OH- Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4OH- Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4OH- Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4OH- Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4OH- Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4OH- Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4OH- Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4OH- Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4OH- Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4OH- Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4OH- Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4OH- Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4OH- Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4OH- Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4OH- Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4OH- Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4OH- Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4OH- Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4OH- Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4OH- Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4OH- Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4OH- Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4OH- Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4OH- Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4OH- Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4OH- Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4OH- Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4OH- Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4OH- Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4OH- Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4OH- Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4OH- Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4OH- Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4OH- Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4OH- Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4OH- Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4OH- Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4OH- Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4OH- Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4OH- Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4OH- Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4OH- Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4OH- Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4OH- Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4OH- Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4OH- Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4OH- Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4OH- Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4OH- Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4OH- Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4OH- Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4OH- Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4OH- Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4OH- Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4OH- Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4OH- Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4OH- Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4OH- Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4OH- Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4OH- Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4OH- Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4OH- Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4OH- Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4OH- Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4OH- Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4OH- Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4OH- Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4OH- Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4OH- Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4OH- Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4OH- Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4OH- Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4OH- Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4OH- Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4OH- Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4OH- Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4OH- Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4OH- Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4OH- Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4OH- Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4OH- Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4OH- Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4OH- Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4OH- Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4OH- Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4OH- Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4OH- Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4OH- Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4OH- Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4OH- Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4OH- Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4OH- Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4OH- Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4OH- Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4OH- Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4OH- Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4OH- Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4OH- Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4OH- Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4OH- Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4OH- Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4OH- Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4OH- Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4OH- Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4OH- Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4OH- Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4OH- Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4OH- Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4OH- Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4OH- Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4OH- Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4OH- Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4OH- Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4OH- Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4OH- Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4OH- Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4OH- Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4OH- Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4OH- Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4OH- Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4OH- Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4OH- Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4OH- Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4OH- Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4OH- Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4OH- Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4OH- Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4OH- Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4OH- Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4OH- Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4OH- Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4OH- Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4OH- Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4OH- Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4OH- Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4OH- Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4OH- Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4OH- Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4OH- Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4OH- Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4OH- Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4OH- Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4OH- Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4OH- Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4OH- Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4OH- Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4OH- Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4OH- Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4OH- Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4OH- Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4OH- Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4OH- Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4OH- Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4OH- Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4OH- Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4OH- Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4OH- Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4OH- Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4OH- Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4OH- Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4OH- Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4OH- Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4OH- Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4OH- Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4OH- Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4OH- Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4OH- Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4OH- Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4OH- Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4OH- Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4OH- Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4OH- Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4OH- Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4OH- Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4OH- Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4OH- # # Added AlSO4+ reactions 16Dec09 # AlSO4+ + [34S]O4-2 = Al[34S]O4+ + SO4-2 # # Added Al(SO4)2- reactions 16Dec09 # Revised 17Dec09, limited the number of species # Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2SO4-2 Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2SO4-2 Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2SO4-2 # # Added AlHSO4+2 reactions 16Dec09 # AlHSO4+2 + DSO4- = AlDSO4+2 + HSO4- AlHSO4+2 + TSO4- = AlTSO4+2 + HSO4- AlHSO4+2 + H[34S]O4- = AlH[34S]O4+2 + HSO4- AlHSO4+2 + D[34S]O4- = AlD[34S]O4+2 + HSO4- AlHSO4+2 + T[34S]O4- = AlT[34S]O4+2 + HSO4- # # Missing H4SiO4 reactions # # # Missing H3SiO4- reactions # # # Missing H2SiO4-2 reactions # ############################################################################################### PHASES ############################################################################################### # # Water vapor - Water # last update March 20, 2006 # Updated September 19, 2006 # Checked September 19, 2006 # HDO(g) HDO(g) + H2O(l) = H2O(g) + HDO(aq) -add_logk Log_alpha_D_H2O(g)/H2O(l) -1.0 HTO(g) HTO(g) + H2O(l) = H2O(g) + HTO(aq) -add_logk Log_alpha_T_H2O(g)/H2O(l) -1.0 DTO(g) DTO(g) + H2O(g) = HDO(g) + HTO(g) log_k 0.301029995663 # log10(2) D2O(g) D2O(g) + H2O(g) = 2HDO(g) log_k 0.602059991327962396 # log10(4) T2O(g) T2O(g) + H2O(g) = 2HTO(g) log_k 0.602059991327962396 # log10(4) H2[18O](g) H2[18O](g) + H2O(l) = H2O(g) + H2[18O](aq) -add_logk Log_alpha_18O_H2O(g)/H2O(l) -1.0 HD[18O](g) HD[18O](g) + H2O(g) = HDO(g) + H2[18O](g) log_k 0.0 HT[18O](g) HT[18O](g) + H2O(g) = HTO(g) + H2[18O](g) log_k 0.0 D2[18O](g) D2[18O](g) + H2O(g) = D2O(g) + H2[18O](g) log_k 0.0 T2[18O](g) T2[18O](g) + H2O(g) = T2O(g) + H2[18O](g) log_k 0.0 DT[18O](g) DT[18O](g) + H2O(g) = DTO(g) + H2[18O](g) log_k 0.0 # # O2 gas - O2 aqueous # last update March 20, 2006 # Updated September 19, 2006 # Checked September 19, 2006 # O[18O](g) O[18O](g) + H2O(l) = O2(g) + H2[18O](aq) ## symmetry K ?? -add_logk Log_alpha_18O_O2(g)/H2O(l) -1.0 [18O]2(g) [18O]2(g) + O2(g) = 2O[18O](g) log_k 0.602059991327962396 # log10(4) # # H2 gas - H2 aqueous # last update March 20, 2006 # Updated September 19, 2006 # Checked September 19, 2006 # HD(g) HD(g) + H2O(l) = H2(g) + HDO(aq) -add_logk Log_alpha_D_H2(g)/H2O(l) -1.0 HT(g) HT(g) + H2O(l) = H2(g) + HTO(aq) -add_logk Log_alpha_T_H2(g)/H2O(l) -1.0 D2(g) D2(g) + H2(g) = 2HD(g) log_k 0.602059991327962396 # log10(4) T2(g) T2(g) + H2(g) = 2HT(g) log_k 0.602059991327962396 # log10(4) DT(g) DT(g) + H2(g) = HD(g) + HT(g) log_k 0.301029995663 # log10(2) # # CO2 gas - CO2 aqueous # last update March 20, 2006 # Updated September 19, 2006 # Checked September 19, 2006 # CO[18O](g) CO[18O](g) + H2O(l) = H2[18O](aq) + CO2(g) log_k -0.301029995663 # -log10(2) -add_logk Log_alpha_18O_CO2(g)/H2O(l) -1.0 C[18O]2(g) C[18O]2(g) + CO2(g) = 2CO[18O](g) log_k 0.602059991327962396 # log10(4) [13C]O2(g) [13C]O2(g) + CO2(aq) = [13C]O2(aq) + CO2(g) -add_logk Log_alpha_13C_CO2(g)/CO2(aq) -1.0 [13C]O[18O](g) [13C]O[18O](g) + CO2(g) = [13C]O2(g) + CO[18O](g) log_k 0 [13C][18O]2(g) [13C][18O]2(g) + CO2(g) = C[18O]2(g) + [13C]O2(g) log_k 0 [14C]O2(g) [14C]O2(g) + CO2(aq) = [14C]O2(aq) + CO2(g) -add_logk Log_alpha_14C_CO2(g)/CO2(aq) -1.0 [14C]O[18O](g) [14C]O[18O](g) + CO2(g) = [14C]O2(g) + CO[18O](g) log_k 0 [14C][18O]2(g) [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g) log_k 0 # # Calcite # last update Feb 13, 2006 # Updated September 19, 2006 # Checked September 19, 2006 # CaCO2[18O](s) CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s) log_k -0.477121254719 # -log10(3) ??? -add_logk Log_alpha_18O_Calcite/H2O(l) -1.0 CaCO[18O]2(s) CaCO[18O]2(s) + Calcite(s) = 2CaCO2[18O](s) log_k 0.477121254719 # log10(3) CaC[18O]3(s) CaC[18O]3(s) + 2Calcite(s) = 3CaCO2[18O](s) log_k 1.431363764158 # log10(27) Ca[13C]O3(s) Ca[13C]O3(s) + CO2 = [13C]O2 + Calcite(s) -add_logk Log_alpha_13C_Calcite/CO2(aq) -1.0 Ca[13C]O2[18O](s) Ca[13C]O2[18O](s) + Calcite(s) = Ca[13C]O3(s) + CaCO2[18O](s) log_k 0 Ca[13C]O[18O]2(s) Ca[13C]O[18O]2(s) + Calcite(s) = Ca[13C]O3(s) + CaCO[18O]2(s) log_k 0 Ca[13C][18O]3(s) Ca[13C][18O]3(s) + Calcite(s) = Ca[13C]O3(s) + CaC[18O]3(s) log_k 0 Ca[14C]O3(s) Ca[14C]O3(s) + CO2 = Calcite(s) + [14C]O2 -add_logk Log_alpha_14C_Calcite/CO2(aq) -1.0 Ca[14C]O2[18O](s) Ca[14C]O2[18O](s) + Calcite(s) = Ca[14C]O3(s) + CaCO2[18O](s) log_k 0 Ca[14C]O[18O]2(s) Ca[14C]O[18O]2(s) + Calcite(s) = Ca[14C]O3(s) + CaCO[18O]2(s) log_k 0 Ca[14C][18O]3(s) Ca[14C][18O]3(s) + Calcite(s) = Ca[14C]O3(s) + CaC[18O]3(s) log_k 0 # # Pyrite, March 20, 2006 # Update September 28, 2006 # Checked September 28, 2006 # Pyrite_FeS[34S] FeS[34S](s) + HS- = Pyrite(s) + H[34S]- -add_logk Log_alpha_34S_Pyrite/HS- -1.0 Pyrite_Fe[34S]S Fe[34S]S(s) = Pyrite_FeS[34S](s) Pyrite_Fe[34S]2 Fe[34S]2(s) + Pyrite(s) = 2Pyrite_FeS[34S](s) # # CH4 reactions # last update March 20, 2006 # Updated September 19, 2006 # Checked September 19, 2006 # CH3D(g) CH3D(g) + H2O(l) = CH4(g) + HDO(aq) log_k -0.301029995663 # -log10(2) ??? -add_logk Log_alpha_D_CH4(g)/H2O(l) -1.0 CH2D2(g) CH2D2(g) + CH4(g) = 2CH3D(g) log_k 0.42596873227228 # log10(8/3) CHD3(g) CHD3(g) + 2CH4(g) = 3CH3D(g) log_k 1.20411998265 # log10(16) CD4(g) CD4(g) + 3CH4(g) = 4CH3D(g) log_k 2.408239965311 # log10(256) CH3T(g) CH3T(g) + H2O(l) = CH4(g) + HTO(aq) log_k -0.301029995663 # -log10(2) ??? -add_logk Log_alpha_T_CH4(g)/H2O(l) -1.0 CH2T2(g) CH2T2(g) + CH4(g) = 2CH3T(g) log_k 0.42596873227228 # log10(8/3) CHT3(g) CHT3(g) + 2CH4(g) = 3CH3T(g) log_k 1.20411998265 # log10(16) CT4(g) CT4(g) + 3CH4(g) = 4CH3T(g) log_k 2.408239965311 # log10(256) CD3T(g) CD3T(g) + CH4(g) = CHD3(g) + CH3T(g) log_k 0.602059991327962396 # log10(4) CD2T2(g) CD2T2(g) + CH4(g) = CH2D2(g) + CH2T2(g) log_k 0.7781512503836 # log10(6) CDT3(g) CDT3(g) + CH4(g) = CHT3(g) + CH3D(g) log_k 0.602059991327962396 # log10(4) [13C]H4(g) [13C]H4(g) + CO2(aq) = [13C]O2(aq) + CH4(g) -add_logk Log_alpha_13C_CH4(g)/CO2(aq) -1.0 [13C]H3D(g) [13C]H3D(g) + CH4(g) = CH3D(g) + [13C]H4(g) [13C]H2D2(g) [13C]H2D2(g) + CH4(g) = CH2D2(g) + [13C]H4(g) [13C]HD3(g) [13C]HD3(g) + CH4(g) = CHD3(g) + [13C]H4(g) [13C]D4(g) [13C]D4(g) + CH4(g) = CD4(g) + [13C]H4(g) [13C]H3T(g) [13C]H3T(g) + CH4(g) = CH3T(g) + [13C]H4(g) [13C]H2T2(g) [13C]H2T2(g) + CH4(g) = CH2T2(g) + [13C]H4(g) [13C]HT3(g) [13C]HT3(g) + CH4(g) = CHT3(g) + [13C]H4(g) [13C]T4(g) [13C]T4(g) + CH4(g) = CT4(g) + [13C]H4(g) [13C]D3T(g) [13C]D3T(g) + CH4(g) = CD3T(g) + [13C]H4(g) [13C]D2T2(g) [13C]D2T2(g) + CH4(g) = CD2T2(g) + [13C]H4(g) [13C]DT3(g) [13C]DT3(g) + CH4(g) = CDT3(g) + [13C]H4(g) [13C]T4(g) [13C]T4(g) + CH4(g) = CT4(g) + [13C]H4(g) [14C]H4(g) [14C]H4(g) + CO2(aq) = [14C]O2(aq) + CH4(g) -add_logk Log_alpha_14C_CH4(g)/CO2(aq) -1.0 [14C]H3D(g) [14C]H3D(g) + CH4(g) = CH3D(g) + [14C]H4(g) [14C]H2D2(g) [14C]H2D2(g) + CH4(g) = CH2D2(g) + [14C]H4(g) [14C]HD3(g) [14C]HD3(g) + CH4(g) = CHD3(g) + [14C]H4(g) [14C]D4(g) [14C]D4(g) + CH4(g) = CD4(g) + [14C]H4(g) [14C]H3T(g) [14C]H3T(g) + CH4(g) = CH3T(g) + [14C]H4(g) [14C]H2T2(g) [14C]H2T2(g) + CH4(g) = CH2T2(g) + [14C]H4(g) [14C]HT3(g) [14C]HT3(g) + CH4(g) = CHT3(g) + [14C]H4(g) [14C]T4(g) [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g) [14C]D3T(g) [14C]D3T(g) + CH4(g) = CD3T(g) + [14C]H4(g) [14C]D2T2(g) [14C]D2T2(g) + CH4(g) = CD2T2(g) + [14C]H4(g) [14C]DT3(g) [14C]DT3(g) + CH4(g) = CDT3(g) + [14C]H4(g) [14C]T4(g) [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g) # # updated March 20, 2006 # Updated September 28, 2006 # Checked September 28, 2006 # HDS(g) HDS(g) + H2S(aq) = HDS(aq) + H2S(g) -add_logk Log_alpha_D_H2S(g)/H2S(aq) -1.0 D2S(g) D2S(g) + H2S(g) = 2HDS(g) log_k 0.602059991327962396 # log10(4) HTS(g) HTS(g) + H2S(aq) = HTS(aq) + H2S(g) -add_logk Log_alpha_T_H2S(g)/H2S(aq) -1.0 T2S(g) T2S(g) + H2S(g) = 2HTS(g) log_k 0.602059991327962396 # log10(4) DTS(g) DTS(g) + H2S(g) = HDS(g) + HTS(g) log_k 0.301029995663 # log10(2) H2[34S](g) H2[34S](g) + H2S(aq) = H2[34S](aq) + H2S(g) -add_logk Log_alpha_34S_H2S(g)/H2S(aq) -1.0 HD[34S](g) HD[34S](g) + H2S(g) = HDS(g) + H2[34S](g) D2[34S](g) D2[34S](g) + H2S(g) = D2S(g) + H2[34S](g) HT[34S](g) HT[34S](g) + H2S(g) = HTS(g) + H2[34S](g) T2[34S](g) T2[34S](g) + H2S(g) = T2S(g) + H2[34S](g) DT[34S](g) DT[34S](g) + H2S(g) = DTS(g) + H2[34S](g) # # Gypsum and anhydrite # Ca[34S]O4:2H2O Ca[34S]O4:2H2O + SO4-2 = [34S]O4-2 + Gypsum(s) -add_logk Log_alpha_34S_Gypsum/SO4-2 -1.0 Ca[34S]O4 Ca[34S]O4 + SO4-2 = [34S]O4-2 + Anhydrite(s) -add_logk Log_alpha_34S_Anhydrite/SO4-2 -1.0 # # Nitrogen phases # Checked September 19, 2006 # N[15N](g) N[15N](g) + N2(aq) = N[15N](aq) + N2(g) -add_logk Log_alpha_15N_N2(g)/N2(aq) -1.0 [15N]2(g) [15N]2(g) + N2(g) = 2N[15N](g) log_k 0.602059991327962396 # log10(4) NH2D(g) NH2D(g) + H2O(l) = NH3(g) + HDO(aq) ## symmetry K?? -add_logk Log_alpha_D_NH3(g)/H2O(l) -1.0 NHD2(g) NHD2(g) + NH3(g) = 2NH2D(g) log_k 0.477121254719 # log10(3) ND3(g) ND3(g) + 2NH3(g) = 3NH2D(g) -logk 1.431363764158 # log10(27) NH2T(g) NH2T(g) + H2O(l) = NH3(g) + HTO(aq) ## symmetry K?? -add_logk Log_alpha_T_NH3(g)/H2O(l) -1.0 NHT2(g) NHT2(g) + NH3(g) = 2NH2T(g) log_k 0.477121254719 # log10(3) NT3(g) NT3(g) + 2NH3(g) = 3NH2T(g) -logk 1.431363764158 # log10(27) ND2T(g) ND2T(g) + NH3(g) = NHD2(g) + NH2T(g) log_k 0.477121254719 # log10(3) NDT2(g) NDT2(g) + NH3(g) = NH2D(g) + NHT2(g) log_k 0.477121254719 # log10(3) [15N]H3(g) [15N]H3(g) + NH3(aq) = [15N]H3(aq) + NH3(g) -add_logk Log_alpha_15N_NH3(g)/NH3(aq) -1.0 [15N]H2D(g) [15N]H2D(g) + NH3(g) = NH2D(g) + [15N]H3(g) [15N]HD2(g) [15N]HD2(g) + NH3(g) = NHD2(g) + [15N]H3(g) [15N]D3(g) [15N]D3(g) + NH3(g) = ND3(g) + [15N]H3(g) [15N]H2T(g) [15N]H2T(g) + NH3(g) = NH2T(g) + [15N]H3(g) [15N]HT2(g) [15N]HT2(g) + NH3(g) = NHT2(g) + [15N]H3(g) [15N]T3(g) [15N]T3(g) + NH3(g) = NT3(g) + [15N]H3(g) [15N]D2T(g) [15N]D2T(g) + NH3(g) = ND2T(g) + [15N]H3(g) [15N]DT2(g) [15N]DT2(g) + NH3(g) = NDT2(g) + [15N]H3(g)