Fe(OH)2

k\T 278.15 298.15 368.15 k\T

LogK k1 8.55E-15 1.14E-13 1.08E-10 Delta G k1
k2 7.88E-05 2.36E-04 4.26E-03 k2
k3 5.98E+07 2.94E+07 4.48E+06 k3
k4 7.82E+16 1.96E+16 5.08E+14 k4

Fe(+2a) + 2H2O = Fe(OH)2 + 2H(+a)

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 90.036 54.253 74.946 8.405E-015 -14.075
283.150 90.084 54.425 74.674 1.672E-014 -13.777
288.150 90.070 54.376 74.402 3.248E-014 -13.488
293.150 90.010 54.170 74.130 6.167E-014 -13.210
298.150 89.917 53.855 73.860 1.145E-013 -12.941
303.150 89.802 53.472 73.592 2.083E-013 -12.681
308.150 89.672 53.048 73.326 3.711E-013 -12.430
313.150 89.535 52.607 73.061 6.487E-013 -12.188
318.150 89.395 52.162 72.800 1.113E-012 -11.953
323.150 89.253 51.721 72.540 1.877E-012 -11.726
328.150 89.112 51.286 72.282 3.113E-012 -11.507
333.150 88.969 50.855 72.027 5.081E-012 -11.294
338.150 88.829 50.438 71.774 8.167E-012 -11.088
343.150 88.696 50.047 71.523 1.294E-011 -10.888
348.150 88.570 49.683 71.273 2.021E-011 -10.694
353.150 88.453 49.348 71.026 3.116E-011 -10.506
358.150 88.345 49.044 70.780 4.745E-011 -10.324
363.150 88.248 48.774 70.535 7.137E-011 -10.146
368.150 88.162 48.541 70.292 1.061E-010 -9.974

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
Fe(+2a) 55.847 60.784 1.000 55.847 0.000 ml
H2O 18.015 39.216 2.000 36.030 39.292 ml
g/mol wt-% mol g l or ml
Fe(OH)2 89.862 97.806 1.000 89.862 26.430 ml
H(+a) 1.008 2.194 2.000 2.016 0.000 ml

FeOH(+a) + H2O = Fe(OH)2 + H(+a)

T deltaH deltaS deltaG K Log(K)
 K kJ J/K kJ
278.150 39.360 62.719 21.915 7.659E-005 -4.116
283.150 39.147 61.961 21.603 1.034E-004 -3.986
288.150 38.935 61.217 21.295 1.378E-004 -3.861
293.150 38.724 60.492 20.991 1.817E-004 -3.741
298.150 38.517 59.790 20.690 2.370E-004 -3.625
303.150 38.313 59.114 20.393 3.061E-004 -3.514
308.150 38.115 58.465 20.099 3.915E-004 -3.407
313.150 37.923 57.846 19.808 4.961E-004 -3.304
318.150 37.736 57.255 19.521 6.234E-004 -3.205
323.150 37.556 56.694 19.236 7.770E-004 -3.110
328.150 37.383 56.161 18.954 9.610E-004 -3.017
333.150 37.216 55.655 18.674 1.180E-003 -2.928
338.150 37.055 55.175 18.397 1.439E-003 -2.842
343.150 36.901 54.723 18.122 1.742E-003 -2.759
348.150 36.754 54.299 17.850 2.097E-003 -2.678
353.150 36.615 53.903 17.579 2.510E-003 -2.600
358.150 36.484 53.534 17.311 2.986E-003 -2.525
363.150 36.361 53.193 17.044 3.534E-003 -2.452
368.150 36.246 52.880 16.779 4.161E-003 -2.381

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
FeOH(+a) 72.854 80.175 1.000 72.854 0.000 ml
H2O 18.015 19.825 1.000 18.015 19.646 ml
g/mol wt-% mol g l or ml
Fe(OH)2 89.862 98.891 1.000 89.862 26.430 ml
H(+a) 1.008 1.109 1.000 1.008 0.000 ml

FeO(a) + H2O = Fe(OH)2

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -25.419 57.586 -41.437 6.056E+007 7.782
283.150 -25.212 58.323 -41.727 4.992E+007 7.698
288.150 -25.043 58.915 -42.020 4.148E+007 7.618
293.150 -24.904 59.395 -42.316 3.472E+007 7.541
298.150 -24.787 59.790 -42.614 2.926E+007 7.466
303.150 -24.688 60.120 -42.913 2.482E+007 7.395
308.150 -24.602 60.402 -43.215 2.118E+007 7.326
313.150 -24.526 60.647 -43.517 1.817E+007 7.259
318.150 -24.458 60.863 -43.821 1.568E+007 7.195
323.150 -24.396 61.054 -44.126 1.359E+007 7.133
328.150 -24.341 61.223 -44.432 1.184E+007 7.073
333.150 -24.293 61.369 -44.738 1.035E+007 7.015
 338.150 -24.249 61.500 -45.045 9.095E+006 6.959
343.150 -24.208 61.619 -45.353 8.022E+006 6.904
348.150 -24.171 61.728 -45.661 7.102E+006 6.851
353.150 -24.136 61.827 -45.970 6.311E+006 6.800
358.150 -24.104 61.917 -46.280 5.627E+006 6.750
363.150 -24.074 62.001 -46.589 5.034E+006 6.702
368.150 -24.046 62.077 -46.900 4.517E+006 6.655

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
FeO(a) 71.846 79.952 1.000 71.846 0.000 ml
H2O 18.015 20.048 1.000 18.015 19.646 ml
g/mol wt-% mol g l or ml
Fe(OH)2 89.862 100.000 1.000 89.862 26.430 ml

HFeO2(-a) + H(+a) = Fe(OH)2

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -48.029 150.811 -89.977 7.916E+016 16.899
283.150 -48.065 150.683 -90.731 5.485E+016 16.739
288.150 -48.084 150.616 -91.484 3.848E+016 16.585
293.150 -48.086 150.608 -92.237 2.733E+016 16.437
298.150 -48.071 150.660 -92.990 1.963E+016 16.293
303.150 -48.038 150.769 -93.744 1.426E+016 16.154
308.150 -47.988 150.934 -94.498 1.047E+016 16.020
313.150 -47.919 151.155 -95.253 7.762E+015 15.890
318.150 -47.832 151.430 -96.010 5.814E+015 15.764
323.150 -47.727 151.758 -96.768 4.396E+015 15.643
328.150 -47.604 152.136 -97.527 3.355E+015 15.526
333.150 -47.462 152.565 -98.289 2.583E+015 15.412
338.150 -47.304 153.037 -99.053 2.005E+015 15.302
343.150 -47.126 153.559 -99.820 1.570E+015 15.196
348.150 -46.929 154.130 -100.589 1.239E+015 15.093
353.150 -46.711 154.750 -101.361 9.855E+014 14.994
358.150 -46.473 155.419 -102.136 7.896E+014 14.897
363.150 -46.214 156.139 -102.915 6.373E+014 14.804
368.150 -45.931 156.910 -103.698 5.180E+014 14.714

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
HFeO2(-a) 88.854 98.878 1.000 88.854 0.000 ml
H(+a) 1.008 1.122 1.000 1.008 0.000 ml
g/mol wt-% mol g l or ml
Fe(OH)2 89.862 100.000 1.000 89.862 26.430 ml
FeCO3
k\T 278.15 298.15 368.15 k\T
LogK k1 7.69E-10 3.10E-09 1.24E-07 Delta G k1
k2 2.48E-03 9.04E-03 2.75E-01 k2
k3 2.29E+07 1.86E+07 1.08E+07 k3
k4 2.27E+28 1.55E+27 1.29E+24 k4
k5 6.72E+38 3.45E+37 1.34E+34

Fe(+2a) + CO2(a) + H2O = FeCO3 + 2H(+a)

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 54.410 20.165 48.801 6.835E-010 -9.165
283.150 53.654 17.473 48.707 1.033E-009 -8.986
288.150 52.884 14.776 48.626 1.529E-009 -8.815
293.150 52.103 12.088 48.559 2.222E-009 -8.653
298.150 51.317 9.430 48.505 3.172E-009 -8.499
303.150 50.531 6.816 48.465 4.452E-009 -8.351
308.150 49.748 4.254 48.437 6.148E-009 -8.211
313.150 48.971 1.754 48.422 8.363E-009 -8.078
318.150 48.203 -0.680 48.419 1.121E-008 -7.950
323.150 47.443 -3.050 48.429 1.483E-008 -7.829
328.150 46.691 -5.359 48.450 1.937E-008 -7.713
333.150 45.945 -7.616 48.482 2.499E-008 -7.602
338.150 45.207 -9.814 48.526 3.188E-008 -7.496
343.150 44.481 -11.947 48.580 4.022E-008 -7.396
348.150 43.765 -14.017 48.645 5.022E-008 -7.299
353.150 43.061 -16.024 48.720 6.211E-008 -7.207
358.150 42.370 -17.969 48.805 7.610E-008 -7.119
363.150 41.691 -19.852 48.900 9.242E-008 -7.034
368.150 41.025 -21.672 49.004 1.113E-007 -6.953

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
Fe(+2a) 55.847 47.379 1.000 55.847 0.000 ml
CO2(a) 44.010 37.337 1.000 44.010 0.000 ml
H2O 18.015 15.284 1.000 18.015 19.646 ml
g/mol wt-% mol g l or ml
FeCO3 115.856 98.290 1.000 115.856 29.707 ml
H(+a) 1.008 1.710 2.000 2.016 0.000 ml
Fe(+2a) + HCO3(-a) = FeCO3 + H(+a)
T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 38.027 87.776 13.612 2.777E-003 -2.556
283.150 39.082 91.537 13.163 3.728E-003 -2.429
288.150 40.013 94.797 12.697 4.990E-003 -2.302
293.150 40.851 97.681 12.216 6.655E-003 -2.177
298.150 41.622 100.290 11.721 8.839E-003 -2.054
303.150 42.348 102.704 11.213 1.169E-002 -1.932
308.150 43.044 104.982 10.694 1.539E-002 -1.813
313.150 43.724 107.170 10.164 2.016E-002 -1.695
318.150 44.395 109.298 9.622 2.631E-002 -1.580
323.150 45.064 111.382 9.071 3.417E-002 -1.466
328.150 45.731 113.429 8.509 4.421E-002 -1.355
333.150 46.395 115.438 7.936 5.696E-002 -1.244
338.150 47.063 117.430 7.354 7.309E-002 -1.136
343.150 47.744 119.428 6.762 9.345E-002 -1.029
348.150 48.439 121.438 6.160 1.190E-001 -0.924
353.150 49.150 123.466 5.548 1.511E-001 -0.821
358.150 49.879 125.518 4.925 1.913E-001 -0.718
363.150 50.630 127.599 4.292 2.413E-001 -0.617
368.150 51.405 129.717 3.649 3.035E-001 -0.518

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
Fe(+2a) 55.847 47.788 1.000 55.847 0.000 ml
HCO3(-a) 61.017 52.212 1.000 61.017 0.000 ml
g/mol wt-% mol g l or ml
FeCO3 115.856 99.138 1.000 115.856 29.707 ml
H(+a) 1.008 0.862 1.000 1.008 0.000 ml

FeOH(+a) + HCO3(-a) = FeCO3 + H2O

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -12.649 96.242 -39.419 2.531E+007 7.403
283.150 -11.855 99.073 -39.907 2.305E+007 7.363
288.150 -11.122 101.638 -40.409 2.118E+007 7.326
293.150 -10.435 104.004 -40.924 1.961E+007 7.293
298.150 -9.778 106.225 -41.449 1.829E+007 7.262
303.150 -9.140 108.346 -41.986 1.718E+007 7.235
308.150 -8.513 110.399 -42.532 1.623E+007 7.210
313.150 -7.889 112.409 -43.090 1.542E+007 7.188
318.150 -7.263 114.391 -43.657 1.473E+007 7.168
 323.150 -6.633 116.355 -44.233 1.414E+007 7.151
328.150 -5.998 118.305 -44.820 1.365E+007 7.135
333.150 -5.359 120.238 -45.416 1.323E+007 7.121
338.150 -4.712 122.167 -46.022 1.288E+007 7.110
343.150 -4.052 124.105 -46.638 1.259E+007 7.100
348.150 -3.377 126.055 -47.263 1.235E+007 7.092
353.150 -2.688 128.022 -47.899 1.217E+007 7.085
358.150 -1.981 130.008 -48.544 1.204E+007 7.080
363.150 -1.257 132.018 -49.199 1.195E+007 7.077
368.150 -0.511 134.056 -49.864 1.190E+007 7.075

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
FeOH(+a) 72.854 54.421 1.000 72.854 0.000 ml
HCO3(-a) 61.017 45.579 1.000 61.017 0.000 ml
g/mol wt-% mol g l or ml
FeCO3 115.856 86.543 1.000 115.856 29.707 ml
H2O 18.015 13.457 1.000 18.015 19.646 ml

HFeO2(-a) + HCO3(-a) + 2H(+a) = FeCO3 + 2H2O

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -100.039 184.334 -151.311 2.616E+028 28.418
283.150 -99.067 187.796 -152.242 1.223E+028 28.087
288.150 -98.142 191.037 -153.189 5.912E+027 27.772
293.150 -97.246 194.120 -154.152 2.949E+027 27.470
298.150 -96.366 197.095 -155.130 1.515E+027 27.180
303.150 -95.492 200.001 -156.123 8.001E+026 26.903
308.150 -94.616 202.869 -157.130 4.339E+026 26.637
313.150 -93.731 205.719 -158.151 2.412E+026 26.382
318.150 -92.832 208.566 -159.187 1.374E+026 26.138
323.150 -91.917 211.419 -160.237 8.002E+025 25.903
328.150 -90.985 214.280 -161.301 4.764E+025 25.678
333.150 -90.037 217.148 -162.380 2.895E+025 25.462
338.150 -89.070 220.029 -163.473 1.795E+025 25.254
343.150 -88.078 222.941 -164.580 1.134E+025 25.055
348.150 -87.060 225.886 -165.702 7.298E+024 24.863
353.150 -86.014 228.868 -166.839 4.779E+024 24.679
358.150 -84.939 231.892 -167.991 3.183E+024 24.503
363.150 -83.831 234.964 -169.158 2.154E+024 24.333
368.150 -82.689 238.087 -170.341 1.481E+024 24.171

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
HFeO2(-a) 88.854 58.500 1.000 88.854 0.000 ml
HCO3(-a) 61.017 40.173 1.000 61.017 0.000 ml
H(+a) 1.008 1.327 2.000 2.016 0.000 ml
g/mol wt-% mol g l or ml
FeCO3 115.856 76.278 1.000 115.856 29.707 ml
H2O 18.015 23.722 2.000 36.030 39.292 ml

HFeO2(-a) + CO3(-2a) + 3H(+a) = FeCO3 + 2H2O

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -120.669 312.145 -207.493 9.309E+038 38.969
283.150 -118.004 321.645 -209.078 3.743E+038 38.573
288.150 -115.549 330.239 -210.708 1.583E+038 38.199
293.150 -113.251 338.147 -212.379 7.009E+037 37.846
298.150 -111.064 345.544 -214.088 3.240E+037 37.510
303.150 -108.953 352.566 -215.834 1.558E+037 37.193
308.150 -106.889 359.320 -217.613 7.777E+036 36.891
313.150 -104.850 365.883 -219.427 4.020E+036 36.604
318.150 -102.822 372.309 -221.272 2.148E+036 36.332
323.150 -100.796 378.628 -223.149 1.184E+036 36.073
328.150 -98.769 384.853 -225.058 6.723E+035 35.828
333.150 -96.743 390.981 -226.998 3.926E+035 35.594
338.150 -94.706 397.050 -228.968 2.355E+035 35.372
343.150 -92.644 403.102 -230.968 1.449E+035 35.161
348.150 -90.554 409.148 -232.999 9.138E+034 34.961
353.150 -88.432 415.200 -235.060 5.898E+034 34.771
358.150 -86.273 421.270 -237.151 3.893E+034 34.590
363.150 -84.073 427.371 -239.272 2.626E+034 34.419
368.150 -81.826 433.515 -241.425 1.808E+034 34.257

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
HFeO2(-a) 88.854 58.500 1.000 88.854 0.000 ml
CO3(-2a) 60.009 39.509 1.000 60.009 0.000 ml
H(+a) 1.008 1.991 3.000 3.024 0.000 ml
g/mol wt-% mol g l or ml
FeCO3 115.856 76.278 1.000 115.856 29.707 ml
H2O 18.015 23.722 2.000 36.030 39.292 ml
 Fe(+2a)
278.15 298.15 368.15 k\T 278.15
8.64E-15 1.15E-13 1.08E-10 LogK k1' 1.09E-10
7.93E-05 2.37E-04 4.25E-03 k2' 1.32E-12
5.94E+07 2.92E+07 4.47E+06 k3' 7.64E-10
7.73E+16 1.94E+16 5.05E+14 k4' 1.43E-22

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
Fe(+2a) + H2O = FeOH(+a) + H(+a)
T deltaH deltaS
B' A' K kJ J/K
-4666.72418 2.70993483 278.150 50.676 -8.466
3.89515898 0.0121857 283.150 50.937 -7.536
0.99998816 0.004524 288.150 51.135 -6.841
1435403.14 17 293.150 51.286 -6.322
29.3777284 0.00034793 298.150 51.400 -5.935
303.150 51.488 -5.642
308.150 51.557 -5.417
∆�=𝐴+𝐵∗𝑇
313.150 51.613 -5.239
318.150 51.658 -5.093
B A 323.150 51.697 -4.973
-0.05172984 89.2870716 328.150 51.729 -4.875
0.00023368 0.07578418 333.150 51.754 -4.800
0.99965322 0.02789509 338.150 51.775 -4.737
49005.1258 17 343.150 51.795 -4.676
38.1326628 0.01322832 348.150 51.816 -4.617
353.150 51.838 -4.556
358.150 51.861 -4.490
363.150 51.887 -4.419
368.150 51.916 -4.339

Formula FM Conc.
g/mol wt-%
Fe(+2a) 55.847 75.610
H2O 18.015 24.390
g/mol wt-%
FeOH(+a) 72.854 98.635
H(+a) 1.008 1.365

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
FeOH(+a) = FeO(a) + H(+a)
T deltaH deltaS
 B' A' K kJ J/K
-1971.72807 2.98539997 278.150 64.779 5.133
5.50206081 0.01721277 283.150 64.360 3.638
0.99986764 0.00639032 288.150 63.978 2.302
128423.135 17 293.150 63.628 1.097
5.24430552 0.00069421 298.150 63.304 0.000
303.150 63.001 -1.006
308.150 62.717 -1.937
∆�=𝐴+𝐵∗𝑇
313.150 62.448 -2.801
318.150 62.194 -3.607
B A 323.150 61.953 -4.360
-0.05694397 37.6783752 328.150 61.724 -5.062
0.00032557 0.10558421 333.150 61.509 -5.714
0.99944462 0.03886407 338.150 61.304 -6.325
30592.419 17 343.150 61.109 -6.896
46.2072667 0.02567707 348.150 60.925 -7.428
353.150 60.751 -7.924
358.150 60.588 -8.383
363.150 60.435 -8.808
368.150 60.292 -9.197

Formula FM Conc.
g/mol wt-%
FeOH(+a) 72.854 100.000
g/mol wt-%
FeO(a) 71.846 98.617
H(+a) 1.008 1.383

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) FeO(a) + H2O = HFeO2(-a) + H(+a)

T deltaH deltaS
K kJ J/K
B' A' 278.150 22.610 -93.225
1280.33977 3.17351359 283.150 22.853 -92.360
2.15289294 0.00673516 288.150 23.041 -91.701
0.99995194 0.00250046 293.150 23.182 -91.213
353676.01 17 298.150 23.284 -90.870
2.21128345 0.00010629 303.150 23.350 -90.649
308.150 23.386 -90.532
313.150 23.393 -90.508
∆�=𝐴+𝐵∗𝑇
318.150 23.375 -90.567
323.150 23.331 -90.703
B A 328.150 23.263 -90.913
-0.06082806 -24.4840609 333.150 23.169 -91.196
0.00012491 0.04051054 338.150 23.055 -91.537
0.99992831 0.01491136 343.150 22.917 -91.940
237131.02 17 348.150 22.758 -92.402
52.7257615 0.00377993 353.150 22.575 -92.923
358.150 22.369 -93.501
363.150 22.140 -94.138
368.150 21.885 -94.833

Formula FM Conc.
g/mol wt-%
FeO(a) 71.846 79.952
H2O 18.015 20.048
g/mol wt-%
HFeO2(-a) 88.854 98.878
H(+a) 1.008 1.122

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
Fe(+2a) + H2O = FeO(a) + 2H(+a)
T deltaH deltaS
B' A' K kJ J/K
2488.92318 7.94517672 278.150 115.455 -3.333
3.38889726 0.0106019 283.150 115.297 -3.898
0.99996848 0.003936 288.150 115.114 -4.539
539394.086 17 293.150 114.914 -5.225
8.35635595 0.00026337 298.150 114.704 -5.935
303.150 114.490 -6.649
308.150 114.274 -7.354
∆�=𝐴+𝐵∗𝑇
313.150 114.061 -8.040
318.150 113.852 -8.701
B A 323.150 113.650 -9.334
-0.15221706 -47.6048321 328.150 113.453 -9.937
0.00020982 0.06804661 333.150 113.262 -10.514
0.9999677 0.025047 338.150 113.078 -11.062
526295.95 17 343.150 112.905 -11.572
330.172972 0.01066499 348.150 112.741 -12.045
353.150 112.589 -12.479
358.150 112.449 -12.873
363.150 112.321 -13.226
368.150 112.208 -13.536

Formula FM Conc.
g/mol wt-%
Fe(+2a) 55.847 75.610
H2O 18.015 24.390
g/mol wt-%
FeO(a) 71.846 97.271
 H(+a) 1.008 2.729

FeSO4
278.15 298.15 368.15 k\T 278.15
7.85E-10 3.14E-09 1.23E-07 LogK k1 5.84E-07
2.45E-03 8.98E-03 2.78E-01 k2 3.15E-05
2.25E+07 1.84E+07 1.09E+07 k3 1.21E-03
6.30E+38 3.31E+37 1.37E+34 k4 1.12E+07
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) k5 1.11E+28

Fe(+2a) + SO3(a) + H2O = FeSO4 + 2H(+a)

T deltaH deltaS
B' A' K kJ J/K
-2511.20088 -0.08598862 278.150 83.410 180.915
23.2780561 0.07282358 283.150 83.836 182.431
0.99854137 0.02703608 288.150 84.204 183.722
11637.7625 17 293.150 84.532 184.849
8.5066165 0.01242614 298.150 84.831 185.860
∆�=𝐴+𝐵∗𝑇 303.150 85.111 186.794
308.150 85.382 187.679
313.150 85.649 188.537
318.150 85.915 189.381
B A 323.150 86.184 190.220
0.00251607 47.7912631 328.150 86.456 191.054
0.0013855 0.44932953 333.150 86.729 191.882
0.16247353 0.1653919 338.150 87.009 192.715
3.29786602 17 343.150 87.298 193.562
0.09021141 0.46502615 348.150 87.596 194.426
353.150 87.906 195.310
358.150 88.228 196.214
363.150 88.563 197.144
368.150 88.912 198.100

Formula FM Conc.
g/mol wt-%
Fe(+2a) 55.847 36.283
SO3(a) 80.058 52.013
H2O 18.015 11.704
g/mol wt-%
FeSO4 151.905 98.690
H(+a) 1.008 1.310
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
 Fe(+2a) + HSO4(-a) = FeSO4 + H(+a)
T deltaH deltaS
B' A' K kJ J/K
-2325.08306 5.75439667 278.150 47.713 86.081
21.5373962 0.06737806 283.150 48.466 88.764
0.99854345 0.0250144 288.150 49.134 91.105
11654.4168 17 293.150 49.742 93.198
7.2924068 0.01063725 298.150 50.309 95.115
∆�=𝐴+𝐵∗𝑇 303.150 50.850 96.914
308.150 51.377 98.639
313.150 51.900 100.323
318.150 52.425 101.986
B A 323.150 52.955 103.639
-0.11095985 44.7676576 328.150 53.492 105.288
0.00128135 0.41555096 333.150 54.035 106.928
0.99773814 0.15295848 338.150 54.587 108.574
7498.93346 17 343.150 55.156 110.244
175.447267 0.39773703 348.150 55.743 111.942
353.150 56.350 113.672
358.150 56.978 115.438
363.150 57.629 117.245
368.150 58.307 119.098

Formula FM Conc.
g/mol wt-%
Fe(+2a) 55.847 36.522
HSO4(-a) 97.066 63.478
g/mol wt-%
FeSO4 151.905 99.341
H(+a) 1.008 0.659
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

B' A' Fe(+2a) + SO4(-2a) = FeSO4

369.913047 6.02986181 T deltaH deltaS
19.9254199 0.06233512 K kJ J/K
0.95299385 0.02314219 278.150 63.548 175.060
344.654801 17 283.150 66.289 184.828
0.18458366 0.00910454 288.150 68.734 193.391
∆�=𝐴+𝐵∗𝑇 293.150 70.955 201.034
298.150 73.011 207.987
303.150 74.948 214.430
308.150 76.804 220.503
 B A 313.150 78.606 226.306
-0.11617398 -6.84109552 318.150 80.375 231.909
0.00118931 0.38570261 323.150 82.120 237.352
0.99822153 0.14197172 328.150 83.846 242.652
9541.76974 17 333.150 85.549 247.803
192.323623 0.34265149 338.150 87.248 252.863
343.150 88.956 257.877
348.150 90.678 262.860
353.150 92.418 267.824
358.150 94.182 272.783
363.150 95.974 277.751
368.150 97.799 282.741

Formula FM Conc.
g/mol wt-%
Fe(+2a) 55.847 36.765
SO4(-2a) 96.058 63.235
g/mol wt-%
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) FeSO4 151.905 100.000

FeOH(+a) + SO4(-2a) + H(+a) = FeSO4 + H2O

B' A' T deltaH deltaS
4830.5643 10.9896386 K kJ J/K
28.6962206 0.08977389 278.150 12.872 183.526
0.99940043 0.03332895 283.150 15.352 192.364
28336.5081 17 288.150 17.599 200.231
31.4767352 0.01888393 293.150 19.669 207.356
∆�=𝐴+𝐵∗𝑇 298.150 21.610 213.921
303.150 23.459 220.072
308.150 25.247 225.920
313.150 26.994 231.544
B A 318.150 28.716 237.002
-0.21144718 -92.1243966 323.150 30.423 242.325
0.00171776 0.5570851 328.150 32.117 247.527
0.99887931 0.20505521 333.150 33.796 252.604
15152.2474 17 338.150 35.473 257.600
637.116232 0.71480987 343.150 37.160 262.554
348.150 38.862 267.477
353.150 40.581 272.379
358.150 42.321 277.273
363.150 44.087 282.169
368.150 45.883 287.079

Formula FM Conc.
 g/mol wt-%
FeOH(+a) 72.854 42.876
SO4(-2a) 96.058 56.531
H(+a) 1.008 0.593
g/mol wt-%
FeSO4 151.905 89.398
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) H2O 18.015 10.602

HFeO2(-a) + SO4(-2a) + 3H(+a) = FeSO4 + 2H2O

B' A' T deltaH deltaS
5347.76926 19.6014354 K kJ J/K
64.0515837 0.20038038 278.150 -74.518 271.617
0.99756721 0.0743921 283.150 -71.861 281.086
6970.84741 17 288.150 -69.420 289.631
38.5779606 0.09408115 293.150 -67.141 297.473
∆�=𝐴+𝐵∗𝑇 298.150 -64.978 304.791
303.150 -62.892 311.727
308.150 -60.857 318.389
313.150 -58.848 324.854
B A 318.150 -56.852 331.177
-0.37762119 -101.600065 323.150 -54.860 337.389
0.00381645 1.23770755 328.150 -52.870 343.503
0.99826659 0.45558279 333.150 -50.882 349.514
9790.23161 17 338.150 -48.886 355.462
2032.01815 3.52844652 343.150 -46.866 361.390
348.150 -44.821 367.307
353.150 -42.746 373.226
358.150 -40.636 379.158
363.150 -38.487 385.115
368.150 -36.295 391.110

Formula FM Conc.
g/mol wt-%
HFeO2(-a) 88.854 47.279
SO4(-2a) 96.058 51.112
H(+a) 1.008 1.609
g/mol wt-%
FeSO4 151.905 80.828
H2O 18.015 19.172
 298.15 368.15 k\T 278.15 298.15 368.15
4.85E-10 2.54E-08 Delta G k1' 1.09E-10 4.87E-10 2.55E-08
8.02E-12 9.51E-10 k2' 1.33E-12 8.09E-12 9.52E-10
1.50E-09 8.82E-09 k3' 7.69E-10 1.50E-09 8.85E-09
3.89E-21 2.41E-17 k4' 1.45E-22 3.94E-21 2.43E-17

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

deltaG K Log(K)
kJ B' A'
53.031 1.097E-010 -9.960 -2694.9961 -0.27546514
53.071 1.618E-010 -9.791 1.68050824 0.00525734
53.106 2.357E-010 -9.628 0.99999339 0.00195181
53.139 3.393E-010 -9.469 2571786.98 17
53.170 4.831E-010 -9.316 9.79738621 6.47626E-05
53.199 6.804E-010 -9.167
53.226 9.480E-010 -9.023
∆�=𝐴+𝐵∗𝑇
53.253 1.307E-009 -8.884
53.279 1.786E-009 -8.748
53.304 2.416E-009 -8.617 B A
53.329 3.240E-009 -8.490 0.00521413 51.6086964
53.353 4.306E-009 -8.366 9.59808E-05 0.03112739
53.377 5.677E-009 -8.246 0.99427256 0.01145755
53.400 7.425E-009 -8.129 2951.16844 17
53.423 9.637E-009 -8.016 0.38741626 0.00223168
53.446 1.242E-008 -7.906
53.469 1.589E-008 -7.799
53.491 2.020E-008 -7.695
53.513 2.551E-008 -7.593

Amount Amount Volume

mol g l or ml
1.000 55.847 0.000 ml
1.000 18.015 19.646 ml
mol g l or ml
1.000 72.854 0.000 ml
1.000 1.008 0.000 ml

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

deltaG K Log(K)
 kJ B' A'
63.352 1.265E-012 -11.898 -3252.06784 -0.18811361
63.330 2.071E-012 -11.684 7.64053988 0.02390283
63.315 3.323E-012 -11.478 0.99990617 0.00887403
63.307 5.234E-012 -11.281 181163.666 17
63.304 8.100E-012 -11.092 14.2663587 0.00133872
63.306 1.233E-011 -10.909
63.314 1.848E-011 -10.733
∆�=𝐴+𝐵∗𝑇
63.326 2.730E-011 -10.564
63.342 3.977E-011 -10.400
63.362 5.718E-011 -10.243 B A
63.385 8.120E-011 -10.090 0.0038841 62.162436
63.412 1.140E-010 -9.943 0.00044966 0.14582752
63.442 1.582E-010 -9.801 0.81443801 0.05367707
63.475 2.172E-010 -9.663 74.6135885 17
63.511 2.953E-010 -9.530 0.21497871 0.04898087
63.550 3.977E-010 -9.400
63.590 5.307E-010 -9.275
63.633 7.020E-010 -9.154
63.678 9.211E-010 -9.036

Amount Amount Volume

mol g l or ml
1.000 72.854 0.000 ml
mol g l or ml
1.000 71.846 0.000 ml
1.000 1.008 0.000 ml

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

deltaG K Log(K)
kJ B' A'
48.541 7.650E-010 -9.116 -1208.58342 -4.77166314
49.004 9.100E-010 -9.041 1.72838649 0.00540712
49.464 1.078E-009 -8.967 0.99996523 0.00200742
49.922 1.271E-009 -8.896 488957.977 17
50.377 1.491E-009 -8.827 1.97036737 6.85054E-05
50.831 1.741E-009 -8.759
51.284 2.024E-009 -8.694
∆�=𝐴+𝐵∗𝑇
51.736 2.341E-009 -8.631
52.189 2.697E-009 -8.569
52.642 3.091E-009 -8.510 B A
53.096 3.528E-009 -8.452 0.09138899 23.1207713
53.551 4.009E-009 -8.397 0.00011064 0.03588298
54.008 4.535E-009 -8.343 0.99997508 0.01320802
 54.467 5.109E-009 -8.292 682224.276 17
54.927 5.732E-009 -8.242 119.015264 0.00296568
55.391 6.404E-009 -8.194
55.857 7.126E-009 -8.147
56.326 7.898E-009 -8.102
56.798 8.721E-009 -8.059

Amount Amount Volume

mol g l or ml
1.000 71.846 0.000 ml
1.000 18.015 19.646 ml
mol g l or ml
1.000 88.854 0.000 ml
1.000 1.008 0.000 ml

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

deltaG K Log(K)
kJ B' A'
116.382 1.388E-022 -21.858 -5947.06394 -0.46357876
116.400 3.350E-022 -21.475 6.00730797 0.01879339
116.421 7.831E-022 -21.106 0.99998265 0.00697713
116.446 1.776E-021 -20.751 980043.658 17
116.474 3.914E-021 -20.407 47.7088734 0.00082757
116.505 8.389E-021 -20.076
116.540 1.752E-020 -19.756 ∆�=𝐴+𝐵∗𝑇
116.579 3.569E-020 -19.447
116.621 7.101E-020 -19.149
116.666 1.381E-019 -18.860 B A
116.714 2.630E-019 -18.580 0.00909822 113.771132
116.765 4.907E-019 -18.309 0.00035634 0.11556394
116.819 8.979E-019 -18.047 0.97458537 0.04253746
116.876 1.613E-018 -17.792 651.906034 17
116.935 2.846E-018 -17.546 1.17958212 0.03076041
116.996 4.939E-018 -17.306
117.059 8.433E-018 -17.074
117.125 1.418E-017 -16.848
117.192 2.350E-017 -16.629

Amount Amount Volume

mol g l or ml
1.000 55.847 0.000 ml
1.000 18.015 19.646 ml
mol g l or ml
1.000 71.846 0.000 ml
 2.000 2.016 0.000 ml

298.15 368.15 k\T 278.15 298.15 368.15

7.07E-06 5.18E-03 Delta G k1 5.82E-07 7.07E-06 5.21E-03
1.45E-04 8.18E-03 k2 1.17E-03 1.23E-02 6.24E+00
1.25E-02 6.05E+00 k3 1.07E+07 2.53E+07 2.45E+08
2.59E+07 2.39E+08 k4 1.04E+28 2.08E+27 2.91E+25
2.16E+27 2.84E+25 log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

SO4 + 2H(+a)
deltaG K Log(K)
kJ B' A'
33.089 6.104E-007 -6.214 -4491.94361 9.91568553
32.180 1.156E-006 -5.937 8.72128997 0.02728388
31.265 2.148E-006 -5.668 0.99993592 0.01012926
30.343 3.916E-006 -5.407 265281.606 17
29.417 7.013E-006 -5.154 27.2183965 0.00174423
28.485 1.234E-005 -4.909 ∆�=𝐴+𝐵∗𝑇
27.549 2.137E-005 -4.670
26.608 3.642E-005 -4.439
25.663 6.112E-005 -4.214
24.714 1.011E-004 -3.995 B A
23.761 1.650E-004 -3.783 -0.19014009 86.0933663
22.804 2.656E-004 -3.576 0.0005202 0.16870531
21.842 4.224E-004 -3.374 0.99987277 0.06209806
20.877 6.635E-004 -3.178 133599.934 17
19.907 1.031E-003 -2.987 515.183891 0.06555487
18.932 1.583E-003 -2.801
17.954 2.406E-003 -2.619
16.970 3.621E-003 -2.441
15.982 5.398E-003 -2.268

Amount Amount Volume

mol g l or ml
1.000 55.847 0.000 ml
1.000 80.058 0.000 ml
1.000 18.015 19.646 ml
mol g l or ml
1.000 151.905 41.618 ml
2.000 2.016 0.000 ml
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
 deltaG K Log(K)
kJ B' A'
23.770 3.435E-005 -4.464 -2747.03428 5.37467284
23.332 4.959E-005 -4.305 17.0206337 0.05324772
22.882 7.106E-005 -4.148 0.99934779 0.01976845
22.422 1.010E-004 -3.996 26048.1393 17
21.951 1.426E-004 -3.846 10.1793982 0.00664346
21.471 1.996E-004 -3.700 ∆�=𝐴+𝐵∗𝑇
20.982 2.774E-004 -3.557
20.484 3.827E-004 -3.417
19.979 5.243E-004 -3.280
19.464 7.136E-004 -3.147 B A
18.942 9.651E-004 -3.015 -0.10352315 52.790976
18.412 1.297E-003 -2.887 0.00101616 0.32954981
17.873 1.733E-003 -2.761 0.99836473 0.12130266
17.326 2.304E-003 -2.638 10378.8483 17
16.770 3.045E-003 -2.516 152.717856 0.2501437
16.206 4.006E-003 -2.397
15.634 5.245E-003 -2.280
15.052 6.836E-003 -2.165
14.461 8.872E-003 -2.052

Amount Amount Volume

mol g l or ml
1.000 55.847 0.000 ml
1.000 97.066 0.000 ml
mol g l or ml
1.000 151.905 41.618 ml
1.000 1.008 0.000 ml

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

deltaG K Log(K)
kJ B' A'
14.855 1.622E-003 -2.790 -4207.84819 12.2117133
13.955 2.664E-003 -2.575 55.868866 0.17478139
13.009 4.382E-003 -2.358 0.99701208 0.06488836
12.022 7.205E-003 -2.142 5672.57717 17
11.000 1.182E-002 -1.927 23.8843854 0.0715785
9.943 1.934E-002 -1.713 ∆�=𝐴+𝐵∗𝑇
8.856 3.153E-002 -1.501
 7.739 5.117E-002 -1.291
6.593 8.269E-002 -1.083
5.420 1.330E-001 -0.876 B A
4.220 2.129E-001 -0.672 -0.23585152 81.2213662
2.994 3.393E-001 -0.469 0.00331795 1.07603899
1.742 5.381E-001 -0.269 0.99664685 0.39607486
0.465 8.496E-001 -0.071 5052.86467 17
-0.837 1.335E+000 0.126 792.669621 2.66687996
-2.163 2.089E+000 0.320
-3.515 3.256E+000 0.513
-4.891 5.054E+000 0.704
-6.293 7.814E+000 0.893

Amount Amount Volume

mol g l or ml
1.000 55.847 0.000 ml
1.000 96.058 0.000 ml
mol g l or ml
1.000 151.905 41.618 ml
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

= FeSO4 + H2O
deltaG K Log(K)
kJ B' A'
-38.176 1.478E+007 7.170 -1512.85209 12.4871784
-39.116 1.647E+007 7.217 54.2487484 0.16971298
-40.098 1.859E+007 7.269 0.97860835 0.06300669
-41.117 2.123E+007 7.327 777.702494 17
-42.170 2.447E+007 7.389 3.08735722 0.06748734
-43.256 2.843E+007 7.454 ∆�=𝐴+𝐵∗𝑇
-44.371 3.326E+007 7.522
-45.514 3.914E+007 7.593
-46.686 4.630E+007 7.666
-47.884 5.505E+007 7.741 B A
-49.109 6.573E+007 7.818 -0.24106565 29.6126131
-50.359 7.879E+007 7.896 0.00322544 1.04603806
-51.635 9.479E+007 7.977 0.99696585 0.38503194
-52.935 1.144E+008 8.059 5585.88537 17
-54.260 1.385E+008 8.142 828.105221 2.52024305
-55.610 1.683E+008 8.226
-56.984 2.049E+008 8.312
-58.383 2.502E+008 8.398
-59.806 3.063E+008 8.486

Amount Amount Volume

 mol g l or ml
1.000 72.854 0.000 ml
1.000 96.058 0.000 ml
1.000 1.008 0.000 ml
mol g l or ml
1.000 151.905 41.618 ml
1.000 18.015 19.646 ml
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

a) = FeSO4 + 2H2O
deltaG K Log(K)
kJ B' A'
-150.068 1.528E+028 28.184 2947.79917 17.4469552
-151.450 8.738E+027 27.941 63.0012624 0.19709453
-152.877 5.191E+027 27.715 0.99229465 0.07317222
-154.345 3.193E+027 27.504 2189.25969 17
-155.851 2.027E+027 27.307 11.7216765 0.09102095
-157.393 1.324E+027 27.122 ∆�=𝐴+𝐵∗𝑇
-158.968 8.892E+026 26.949
-160.576 6.123E+026 26.787
-162.216 4.318E+026 26.635
-163.888 3.114E+026 26.493 B A
-165.590 2.294E+026 26.361 -0.33633885 -55.670688
-167.323 1.725E+026 26.237 0.00375284 1.21707718
-169.085 1.321E+026 26.121 0.99788799 0.44798904
-170.877 1.031E+026 26.013 8032.19336 17
-172.699 8.185E+025 25.913 1612.01444 3.41180101
-174.550 6.607E+025 25.820
-176.431 5.419E+025 25.734
-178.342 4.513E+025 25.654
-180.282 3.814E+025 25.581

Amount Amount Volume

mol g l or ml
1.000 88.854 0.000 ml
1.000 96.058 0.000 ml
3.000 3.024 0.000 ml
mol g l or ml
1.000 151.905 41.618 ml
2.000 36.030 39.292 ml
CO2(a)
k\T 278.15 298.15 368.15
LogK k1' 9.44E-01 8.01E-01 5.18E-01
k2' 3.28E-07 4.28E-07 8.70E-07
k3' 3.38E-11 4.50E-11 9.62E-11

CO2(a) + H2O = H2CO3(a)

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 5.568 17.837 0.606 7.694E-001 -0.114
283.150 4.092 12.579 0.530 7.983E-001 -0.098
288.150 2.662 7.572 0.480 8.184E-001 -0.087
293.150 1.265 2.767 0.454 8.300E-001 -0.081
298.150 -0.105 -1.867 0.452 8.333E-001 -0.079
303.150 -1.454 -6.354 0.473 8.290E-001 -0.081
308.150 -2.787 -10.718 0.515 8.178E-001 -0.087
313.150 -4.108 -14.970 0.580 8.004E-001 -0.097
318.150 -5.419 -19.122 0.665 7.777E-001 -0.109
323.150 -6.722 -23.185 0.771 7.506E-001 -0.125
328.150 -8.018 -27.166 0.897 7.199E-001 -0.143
333.150 -9.309 -31.071 1.042 6.864E-001 -0.163
338.150 -10.596 -34.907 1.207 6.509E-001 -0.186
343.150 -11.881 -38.677 1.391 6.141E-001 -0.212
348.150 -13.163 -42.387 1.594 5.766E-001 -0.239
353.150 -14.444 -46.040 1.815 5.389E-001 -0.268
358.150 -15.725 -49.640 2.054 5.016E-001 -0.300
363.150 -17.005 -53.191 2.311 4.651E-001 -0.332
368.150 -18.286 -56.696 2.586 4.296E-001 -0.367

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
CO2(a) 44.010 70.955 1.000 44.010 0.000
H2O 18.015 29.045 1.000 18.015 19.646
g/mol wt-% mol g l or ml
H2CO3(a) 62.025 100.000 1.000 62.025 0.000

H2CO3(a) = HCO3(-a) + H(+a)

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
 278.150 10.816 -85.448 34.583 3.199E-007 -6.495
283.150 10.480 -86.643 35.013 3.470E-007 -6.460
288.150 10.209 -87.593 35.449 3.745E-007 -6.427
293.150 9.986 -88.360 35.889 4.024E-007 -6.395
298.150 9.799 -88.994 36.332 4.307E-007 -6.366
303.150 9.637 -89.534 36.779 4.595E-007 -6.338
308.150 9.491 -90.011 37.228 4.886E-007 -6.311
313.150 9.356 -90.446 37.679 5.182E-007 -6.285
318.150 9.227 -90.855 38.132 5.481E-007 -6.261
323.150 9.101 -91.246 38.587 5.783E-007 -6.238
328.150 8.979 -91.622 39.045 6.087E-007 -6.216
333.150 8.860 -91.982 39.504 6.393E-007 -6.194
338.150 8.740 -92.337 39.964 6.701E-007 -6.174
343.150 8.617 -92.699 40.427 7.009E-007 -6.154
348.150 8.490 -93.069 40.891 7.317E-007 -6.136
353.150 8.356 -93.450 41.358 7.625E-007 -6.118
358.150 8.215 -93.846 41.826 7.932E-007 -6.101
363.150 8.066 -94.260 42.296 8.236E-007 -6.084
368.150 7.907 -94.694 42.768 8.537E-007 -6.069

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
H2CO3(a) 62.025 100.000 1.000 62.025 0.000
g/mol wt-% mol g l or ml
HCO3(-a) 61.017 98.375 1.000 61.017 0.000
H(+a) 1.008 1.625 1.000 1.008 0.000

HCO3(-a) = CO3(-2a) + H(+a)

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 20.630 -127.812 56.181 2.810E-011 -10.551
283.150 18.936 -133.849 56.836 3.268E-011 -10.486
288.150 17.408 -139.202 57.519 3.736E-011 -10.428
293.150 16.005 -144.027 58.227 4.208E-011 -10.376
298.150 14.698 -148.448 58.958 4.676E-011 -10.330
303.150 13.461 -152.564 59.711 5.135E-011 -10.289
308.150 12.273 -156.451 60.484 5.579E-011 -10.253
313.150 11.120 -160.165 61.275 6.001E-011 -10.222
318.150 9.990 -163.743 62.085 6.396E-011 -10.194
323.150 8.879 -167.209 62.912 6.759E-011 -10.170
328.150 7.783 -170.573 63.757 7.086E-011 -10.150
333.150 6.706 -173.832 64.618 7.374E-011 -10.132
338.150 5.636 -177.020 65.495 7.621E-011 -10.118
343.150 4.566 -180.161 66.388 7.825E-011 -10.106
 348.150 3.494 -183.262 67.297 7.986E-011 -10.098
353.150 2.418 -186.332 68.221 8.102E-011 -10.091
358.150 1.334 -189.378 69.160 8.175E-011 -10.088
363.150 0.242 -192.407 70.114 8.205E-011 -10.086
368.150 -0.863 -195.428 71.084 8.194E-011 -10.087

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
HCO3(-a) 61.017 100.000 1.000 61.017 0.000
g/mol wt-% mol g l or ml
CO3(-2a) 60.009 98.348 1.000 60.009 0.000
H(+a) 1.008 1.652 1.000 1.008 0.000
FeS
k\T 278.15 298.15 368.15
LogK k1 5.84E-07 7.07E-06 5.18E-03
k2 1.21E-03 1.25E-02 6.05E+00
k3 1.12E+07 2.59E+07 2.39E+08
k4 1.11E+28 2.16E+27 2.84E+25

Fe(+2a) + H2S(a) = FeS + 2H(+a)

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 31.447 48.036 18.086 4.012E-004 -3.397
283.150 30.831 45.841 17.851 5.089E-004 -3.293
288.150 30.253 43.817 17.627 6.373E-004 -3.196
293.150 29.705 41.933 17.413 7.890E-004 -3.103
298.150 29.186 40.176 17.208 9.662E-004 -3.015
303.150 28.694 38.539 17.011 1.171E-003 -2.931
308.150 28.228 37.014 16.822 1.407E-003 -2.852
313.150 27.788 35.599 16.640 1.675E-003 -2.776
318.150 27.375 34.288 16.466 1.979E-003 -2.704
323.150 26.986 33.075 16.297 2.320E-003 -2.635
328.150 26.619 31.951 16.135 2.701E-003 -2.569
333.150 26.274 30.904 15.978 3.123E-003 -2.505
338.150 25.950 29.939 15.826 3.591E-003 -2.445
343.150 25.650 29.059 15.678 4.104E-003 -2.387
348.150 25.375 28.262 15.535 4.667E-003 -2.331
353.150 25.124 27.546 15.396 5.280E-003 -2.277
358.150 24.897 26.910 15.259 5.947E-003 -2.226
363.150 24.696 26.353 15.126 6.669E-003 -2.176
368.150 24.522 25.875 14.996 7.450E-003 -2.128

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
Fe(+2a) 55.847 62.105 1.000 55.847 0.000
H2S(a) 34.076 37.895 1.000 34.076 0.000
g/mol wt-% mol g l or ml
FeS 87.907 97.758 1.000 87.907 18.546
H(+a) 1.008 2.242 2.000 2.016 0.000
Fe(+2a) + HS(-a) = FeS + H(+a)
T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 2.463 84.449 -21.027 8.893E+003 3.949
283.150 3.700 88.860 -21.460 9.105E+003 3.959
288.150 4.795 92.693 -21.915 9.395E+003 3.973
293.150 5.783 96.093 -22.387 9.756E+003 3.989
298.150 6.694 99.176 -22.875 1.018E+004 4.008
303.150 7.553 102.033 -23.378 1.068E+004 4.029
308.150 8.379 104.734 -23.895 1.124E+004 4.051
313.150 9.185 107.330 -24.425 1.187E+004 4.075
318.150 9.984 109.860 -24.968 1.258E+004 4.100
323.150 10.780 112.344 -25.524 1.337E+004 4.126
328.150 11.577 114.792 -26.092 1.424E+004 4.154
333.150 12.374 117.202 -26.672 1.521E+004 4.182
338.150 13.180 119.602 -27.264 1.629E+004 4.212
343.150 14.003 122.017 -27.868 1.747E+004 4.242
348.150 14.846 124.456 -28.484 1.879E+004 4.274
353.150 15.712 126.926 -29.112 2.025E+004 4.306
358.150 16.604 129.435 -29.753 2.186E+004 4.340
363.150 17.525 131.989 -30.407 2.366E+004 4.374
368.150 18.479 134.597 -31.073 2.565E+004 4.409

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
Fe(+2a) 55.847 62.809 1.000 55.847 0.000
HS(-a) 33.068 37.191 1.000 33.068 0.000
g/mol wt-% mol g l or ml
FeS 87.907 98.866 1.000 87.907 18.546
H(+a) 1.008 1.134 1.000 1.008 0.000

FeOH(+a) + HS(-a) = FeS + H2O

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -48.213 92.915 -74.058 8.103E+013 13.909
283.150 -47.237 96.396 -74.531 5.629E+013 13.750
288.150 -46.340 99.533 -75.021 3.987E+013 13.601
293.150 -45.503 102.415 -75.526 2.875E+013 13.459
298.150 -44.706 105.111 -76.045 2.108E+013 13.324
303.150 -43.935 107.675 -76.577 1.570E+013 13.196
308.150 -43.179 110.151 -77.121 1.186E+013 13.074
313.150 -42.427 112.569 -77.678 9.081E+012 12.958
318.150 -41.675 114.953 -78.247 7.045E+012 12.848
 323.150 -40.917 117.317 -78.828 5.533E+012 12.743
328.150 -40.151 119.667 -79.420 4.396E+012 12.643
333.150 -39.379 122.002 -80.024 3.533E+012 12.548
338.150 -38.595 124.338 -80.640 2.869E+012 12.458
343.150 -37.793 126.694 -81.268 2.353E+012 12.372
348.150 -36.970 129.073 -81.907 1.950E+012 12.290
353.150 -36.126 131.482 -82.559 1.630E+012 12.212
358.150 -35.257 133.925 -83.222 1.376E+012 12.139
363.150 -34.361 136.408 -83.898 1.171E+012 12.069
368.150 -33.437 138.936 -84.586 1.006E+012 12.002

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
FeOH(+a) 72.854 68.781 1.000 72.854 0.000
HS(-a) 33.068 31.219 1.000 33.068 0.000
g/mol wt-% mol g l or ml
FeS 87.907 82.992 1.000 87.907 18.546
H2O 18.015 17.008 1.000 18.015 19.646

HFeO2(-a) + HS(-a) + 2H(+a) = FeS + 2H2O

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -135.603 181.007 -185.950 8.376E+034 34.923
283.150 -134.449 185.118 -186.865 2.987E+034 34.475
288.150 -133.360 188.933 -187.801 1.113E+034 34.047
293.150 -132.314 192.532 -188.754 4.323E+033 33.636
298.150 -131.294 195.981 -189.726 1.745E+033 33.242
303.150 -130.287 199.330 -190.714 7.311E+032 32.864
308.150 -129.282 202.620 -191.719 3.170E+032 32.501
313.150 -128.269 205.879 -192.740 1.421E+032 32.152
318.150 -127.243 209.128 -193.778 6.570E+031 31.818
323.150 -126.200 212.381 -194.831 3.130E+031 31.496
328.150 -125.138 215.643 -195.901 1.535E+031 31.186
333.150 -124.057 218.912 -196.988 7.733E+030 30.888
338.150 -122.953 222.201 -198.091 3.999E+030 30.602
343.150 -121.819 225.529 -199.210 2.121E+030 30.326
348.150 -120.653 228.904 -200.346 1.152E+030 30.061
353.150 -119.452 232.328 -201.499 6.402E+029 29.806
358.150 -118.214 235.809 -202.669 3.638E+029 29.561
363.150 -116.936 239.354 -203.857 2.112E+029 29.325
368.150 -115.615 242.967 -205.063 1.252E+029 29.098

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
HFeO2(-a) 88.854 71.692 1.000 88.854 0.000
HS(-a) 33.068 26.681 1.000 33.068 0.000
H(+a) 1.008 1.626 2.000 2.016 0.000
g/mol wt-% mol g l or ml
FeS 87.907 70.929 1.000 87.907 18.546
H2O 18.015 29.071 2.000 36.030 39.292

HFeO2(-a) + S(-2a) + 3H(+a) = FeS + 2H2O

T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -184.684 263.081 -257.860 2.681E+048 48.428
283.150 -183.783 266.290 -259.183 6.565E+047 47.817
288.150 -182.781 269.797 -260.523 1.700E+047 47.230
293.150 -181.684 273.571 -261.881 4.645E+046 46.667
298.150 -180.498 277.583 -263.259 1.336E+046 46.126
303.150 -179.228 281.807 -264.658 4.036E+045 45.606
308.150 -177.879 286.219 -266.078 1.278E+045 45.107
313.150 -176.456 290.800 -267.520 4.237E+044 44.627
318.150 -174.962 295.533 -268.986 1.467E+044 44.166
323.150 -173.400 300.403 -270.476 5.295E+043 43.724
328.150 -171.774 305.396 -271.990 1.990E+043 43.299
333.150 -170.087 310.499 -273.530 7.769E+042 42.890
338.150 -168.342 315.697 -275.095 3.148E+042 42.498
343.150 -166.540 320.986 -276.687 1.321E+042 42.121
348.150 -164.683 326.360 -278.305 5.741E+041 41.759
353.150 -162.772 331.810 -279.951 2.577E+041 41.411
358.150 -160.808 337.333 -281.623 1.194E+041 41.077
363.150 -158.791 342.923 -283.324 5.702E+040 40.756
368.150 -156.723 348.579 -285.053 2.804E+040 40.448

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
HFeO2(-a) 88.854 71.692 1.000 88.854 0.000
S(-2a) 32.060 25.868 1.000 32.060 0.000
H(+a) 1.008 2.440 3.000 3.024 0.000
g/mol wt-% mol g l or ml
FeS 87.907 70.929 1.000 87.907 18.546
H2O 18.015 29.071 2.000 36.030 39.292
 SO4(-2a)
k\T 278.15 298.15 368.15
Delta G k1' 9.72E-01 8.13E-01 5.06E-01 LogK
k2' 3.30E-07 4.31E-07 8.71E-07
k3' 3.48E-11 4.59E-11 9.48E-11

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
SO3(a) + H2O = HSO4(-a) + H(+a
T
B' A' K
296.688542 -1.09159287 278.150
40.4767274 0.12662828 283.150
0.75963841 0.04701131 288.150
53.7267741 17 293.150
0.11873958 0.03757108 298.150
303.150
308.150
∆�=𝐴+𝐵∗𝑇
313.150
318.150
B A 323.150
0.02240939 -6.16668877 328.150
0.00241064 0.78179093 333.150
0.83561574 0.28776627 338.150
86.4162276 17 343.150
7.15607844 1.40776029 348.150
353.150
358.150
363.150
368.150

Formula

ml SO3(a)
ml H2O

ml HSO4(-a)
H(+a)

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

HSO4(-a) = SO4(-2a) + H(+a)

B' A' T
 -482.806364 -4.74879241 K
4.34601041 0.01359615 278.150
0.99862442 0.00504763 283.150
12341.4006 17 288.150
0.31444154 0.00043314 293.150
298.150
303.150
∆�=𝐴+𝐵∗𝑇
308.150
313.150
B A 318.150
0.09106653 9.19029431 323.150
0.00025658 0.08321067 328.150
0.99986507 0.03062868 333.150
125972.545 17 338.150
118.176864 0.01594797 343.150
348.150
353.150
358.150
363.150
368.150

Formula
ml
HSO4(-a)
ml
ml SO4(-2a)
H(+a)
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

B' A'
-517.204954 -8.61179679
35.3808151 0.11068612
0.92630889 0.04109271
213.692699 17
0.36084384 0.02870639

∆�=𝐴+𝐵∗𝑇

B A
0.16617401 9.47566876
0.00210017 0.68110428
0.99729195 0.25070493
6260.59076 17
 393.496673 1.06850036

ml

ml
ml
 k\T 278.15 298.15 368.15
Delta G k1 5.82E-07 7.07E-06 5.21E-03
k2 1.17E-03 1.23E-02 6.24E+00
k3 1.07E+07 2.53E+07 2.45E+08
k4 1.04E+28 2.08E+27 2.91E+25
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

B' A'
-1435.93042 1.79460761
12.171043 0.03807616
0.99878015 0.01413594
13919.1014 17
2.78138263 0.00339702
∆�=𝐴+𝐵∗𝑇

B A
-0.03390338 27.3426908
0.00071551 0.23204591
0.99248518 0.08541285
2245.19732 17
16.3795099 0.12402102

ml
ml

ml
ml

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
 B' A'
-529.624213 5.79565917
25.7264252 0.08048311
0.96143511 0.02987971
423.815443 17
0.37838125 0.01517755
∆�=𝐴+𝐵∗𝑇

B A
-0.11190657 10.4480664
0.00153163 0.4967207
0.99682557 0.18283592
5338.30029 17
178.453907 0.56829257

ml
ml

ml
ml
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

B' A'
2165.37189 6.07112431
24.1156487 0.07544392
0.9978959 0.02800889
8062.4511 17
6.32497676 0.01333647
∆�=𝐴+𝐵∗𝑇
 B A
-0.1171207 -41.1606867
0.00143967 0.46689585
0.99743793 0.17185781
6618.25746 17
195.470948 0.50209683

ml
ml

ml
ml
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

B' A'
6626.02315 11.0309011
32.8860611 0.10288148
0.99958141 0.0381952
40595.9004 17
59.2242872 0.02480085
∆�=𝐴+𝐵∗𝑇

B A
-0.2123939 -126.443988
0.00196811 0.63827307
0.99854243 0.23493936
11646.2841 17
642.834174 0.93834058
ml
ml
ml

ml
ml
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

B' A'
9088.09005 15.6591881
47.6454294 0.14905501
0.99953297 0.05533733
36383.3557 17
111.413852 0.05205775
∆�=𝐴+𝐵∗𝑇

B A
-0.30154641 -173.396377
0.00287065 0.93097693
0.99846173 0.34267955
11034.3514 17
1295.75588 1.99629766

ml
ml
ml

ml
ml
SO4(-2a)
k\T 278.15 298.15 368.15 k\T 278.15
k1' 1.85E-02 4.88E-02 6.33E-01 Delta G k1' 1.87E-02
k2' 2.60E-02 1.15E-02 1.35E-03 k2' 2.67E-02

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
O3(a) + H2O = HSO4(-a) + H(+a)
deltaH deltaS deltaG K Log(K)
kJ J/K kJ B'
35.697 94.834 9.319 1.777E-002 -1.750 -1744.90933
35.370 93.667 8.848 2.331E-002 -1.632 8.29983978
35.070 92.617 8.382 3.022E-002 -1.520 0.99961552
34.789 91.651 7.922 3.876E-002 -1.412 44198.3758
34.521 90.745 7.466 4.919E-002 -1.308 4.10714157
34.261 89.880 7.014 6.184E-002 -1.209
34.005 89.040 6.567 7.704E-002 -1.113
∆�=𝐴+𝐵∗𝑇
33.748 88.214 6.124 9.516E-002 -1.022
33.490 87.396 5.685 1.166E-001 -0.933
33.228 86.580 5.250 1.417E-001 -0.849 B
32.963 85.767 4.819 1.709E-001 -0.767 -0.08661694
32.695 84.955 4.392 2.048E-001 -0.689 0.00049599
32.422 84.141 3.969 2.437E-001 -0.613 0.99944289
32.142 83.318 3.551 2.880E-001 -0.541 30497.5541
31.853 82.484 3.136 3.384E-001 -0.471 106.910556
31.556 81.638 2.726 3.951E-001 -0.403
31.250 80.777 2.320 4.588E-001 -0.338
30.933 79.898 1.918 5.297E-001 -0.276
30.605 79.001 1.521 6.084E-001 -0.216

FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
80.058 81.631 1.000 80.058 0.000 ml
18.015 18.369 1.000 18.015 19.646 ml
g/mol wt-% mol g l or ml
97.066 98.972 1.000 97.066 0.000 ml
1.008 1.028 1.000 1.008 0.000 ml

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
SO4(-a) = SO4(-2a) + H(+a)
deltaH deltaS deltaG K Log(K)
 kJ J/K kJ B'
-15.835 -88.979 8.914 2.117E-002 -1.674 1460.81391
-17.823 -96.064 9.377 1.862E-002 -1.730 38.8631899
-19.600 -102.285 9.874 1.622E-002 -1.790 0.9881111
-21.213 -107.836 10.399 1.402E-002 -1.853 1412.9048
-22.702 -112.872 10.951 1.206E-002 -1.919 2.878616
-24.098 -117.516 11.527 1.032E-002 -1.986
-25.426 -121.863 12.126 8.798E-003 -2.056
∆�=𝐴+𝐵∗𝑇
-26.706 -125.983 12.746 7.479E-003 -2.126
-27.950 -129.923 13.385 6.341E-003 -2.198
-29.165 -133.713 14.045 5.366E-003 -2.270 B
-30.354 -137.364 14.722 4.532E-003 -2.344 0.13232837
-31.515 -140.876 15.418 3.823E-003 -2.418 0.0023027
-32.661 -144.290 16.131 3.221E-003 -2.492 0.9948786
-33.800 -147.634 16.861 2.712E-003 -2.567 3302.40786
-34.935 -150.918 17.607 2.281E-003 -2.642 249.528857
-36.069 -154.152 18.370 1.917E-003 -2.717
-37.204 -157.345 19.149 1.611E-003 -2.793
-38.344 -160.506 19.943 1.353E-003 -2.869
-39.491 -163.643 20.754 1.135E-003 -2.945

FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
97.066 100.000 1.000 97.066 0.000 ml
g/mol wt-% mol g l or ml
96.058 98.962 1.000 96.058 0.000 ml
1.008 1.038 1.000 1.008 0.000 ml
 S(-2a)
298.15 368.15 k\T 278.15 298.15
4.90E-02 6.30E-01 LogK k1' 5.50E-08 9.10E-08
1.17E-02 1.32E-03 k2' 3.31E-14 1.30E-13

𝐴′ + 𝐵′ * (1⁄𝑇)
H2S(a) = HS(-a) + H(+a)
T deltaH deltaS deltaG
A' K kJ J/K kJ
4.54101269 278.150 28.984 -36.413 39.113
0.0259654 283.150 27.131 -43.019 39.312
0.00963977 288.150 25.458 -48.876 39.542
17 293.150 23.922 -54.160 39.799
0.00157973 298.150 22.492 -59.000 40.082
303.150 21.141 -63.494 40.389
308.150 19.849 -67.719 40.717
313.150 18.603 -71.731 41.066
318.150 17.391 -75.572 41.434
A 323.150 16.205 -79.269 41.821
33.3023904 328.150 15.042 -82.841 42.226
0.16085276 333.150 13.899 -86.298 42.649
0.05920765 338.150 12.770 -89.663 43.089
17 343.150 11.647 -92.958 43.546
0.05959427 348.150 10.529 -96.194 44.019
353.150 9.412 -99.380 44.508
358.150 8.293 -102.525 45.012
363.150 7.171 -105.636 45.533
368.150 6.043 -108.723 46.069

Formula FM Conc. Amount

g/mol wt-% mol
H2S(a) 34.076 100.000 1.000
g/mol wt-% mol
HS(-a) 33.068 97.042 1.000
H(+a) 1.008 2.958 1.000

𝐴′ + 𝐵′ * (1⁄𝑇) HS(-a) = S(-2a) + H(+a)

T deltaH deltaS deltaG
K kJ J/K kJ
 A' 278.150 49.081 -82.074 71.910
-6.83704045 283.150 49.334 -81.172 72.318
0.12158046 288.150 49.421 -80.864 72.722
0.04513728 293.150 49.370 -81.039 73.127
17 298.150 49.204 -81.602 73.534
0.03463536 303.150 48.941 -82.476 73.944
308.150 48.598 -83.599 74.359
313.150 48.187 -84.921 74.780
318.150 47.719 -86.405 75.208
323.150 47.200 -88.022 75.644
A 328.150 46.636 -89.753 76.089
-28.4303903 333.150 46.030 -91.587 76.542
0.74678531 338.150 45.389 -93.496 77.005
0.2748812 343.150 44.721 -95.457 77.477
17 348.150 44.030 -97.456 77.959
1.28451443 353.150 43.320 -99.482 78.452
358.150 42.594 -101.523 78.954
363.150 41.855 -103.570 79.467
368.150 41.109 -105.612 79.990

Formula FM Conc. Amount

g/mol wt-% mol
HS(-a) 33.068 100.000 1.000
g/mol wt-% mol
S(-2a) 32.060 96.952 1.000
H(+a) 1.008 3.048 1.000
 368.15 k\T 278.15 298.15 368.15
3.44E-07 Delta G k1' 5.67E-08 9.26E-08 3.38E-07
4.83E-12 k2' 3.37E-14 1.32E-13 4.82E-12

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

K Log(K)
B' A'
4.511E-008 -7.346 -906.306208 -4.00105156
5.589E-008 -7.253 37.8670111 0.11846399
6.784E-008 -7.169 0.97117827 0.04398028
8.087E-008 -7.092 572.832771 17
9.487E-008 -7.023 1.10801045 0.03288251
1.097E-007 -6.960
1.252E-007 -6.903
∆�=𝐴+𝐵∗𝑇
1.411E-007 -6.850
1.573E-007 -6.803
1.735E-007 -6.761 B A
1.896E-007 -6.722 0.07800319 16.8946244
2.053E-007 -6.688 0.00224519 0.72813355
2.205E-007 -6.657 0.98611148 0.26801574
2.349E-007 -6.629 1207.03259 17
2.484E-007 -6.605 86.7040954 1.22115147
2.608E-007 -6.584
2.720E-007 -6.565
2.819E-007 -6.550
2.904E-007 -6.537

Amount Volume
g l or ml
34.076 0.000 ml
g l or ml
33.068 0.000 ml
1.008 0.000 ml

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

K Log(K)
B' A'
3.124E-014 -13.505 -2462.0669 -4.62828699
4.549E-014 -13.342 14.8828026 0.04655969
6.547E-014 -13.184 0.9993792 0.01728549
9.308E-014 -13.031 27367.1931 17
1.307E-013 -12.884 8.17699334 0.0050794
1.811E-013 -12.742
2.480E-013 -12.606
∆�=𝐴+𝐵∗𝑇
3.353E-013 -12.475
4.478E-013 -12.349
5.911E-013 -12.228 B A
7.714E-013 -12.113 0.08915251 46.9523888
9.954E-013 -12.002 0.00090918 0.29485316
1.270E-012 -11.896 0.99823514 0.10853131
1.605E-012 -11.795 9615.49984 17
2.006E-012 -11.698 113.261414 0.20024378
2.484E-012 -11.605
3.047E-012 -11.516
3.705E-012 -11.431
4.465E-012 -11.350

Amount Volume
g l or ml
33.068 0.000 ml
g l or ml
32.060 0.000 ml
1.008 0.000 ml
Fe+2 - H2O
Reacciones
Fe(+2a) + H2O = FeOH(+a) + H(+a) k1' = [FeOH(+a)]*[H(+a)] / [Fe(+2a)]
FeOH(+a) = FeO(a) + H(+a) k2' = [FeO(a)]*[H(+a)] / [FeOH(+a)]
FeO(a) + H2O = HFeO2(-a) + H(+a) k3' = [HFeO2(-a)]*[H(+a)] / [FeO(a)]
Fe(+2a) + H2O = FeO(a) + 2H(+a) k4' = [FeO(a)]*[H(+a)]2 / [Fe(+2a)]

∑[Fe(+2a)]= [Fe(+2a)] + [FeOH(+a)] + [FeO(a)] + [HFeO2(-a)]

([ �� (+�� )])/(∑▒ 〖 [�� (+�� )] 〗 )= 𝟏/

(𝟏+𝒌𝟏/𝑯+(𝒌𝟏∗𝒌𝟐)/𝑯^𝟐 + ([𝑭𝒆𝑶𝑯(+𝒂)])/(∑▒ 〖 [�� (+�� )] 〗 )=
(𝒌𝟏∗𝒌𝟐∗𝒌𝟑)/𝑯^𝟑 ) 𝟏/(𝟏+𝑯/𝒌𝟏+𝒌𝟐/𝑯+(𝒌𝟐∗𝒌𝟑)/𝑯^𝟐 )

%𝑭𝒆(+𝟐𝒂)=%𝑭𝒆𝑶𝑯(+𝒂)
→𝒑𝑯𝟏=−𝑳𝒐𝒈𝒌𝟏′ % 𝑭𝒆𝑶𝑯(+𝒂)=%𝑯𝑭𝒆𝑶𝟐(−𝒂)
→𝒑𝑯𝟐=−𝟏/𝟐 𝑳𝒐𝒈(𝒌𝟐′∗𝒌𝟑′)

Eh
Eh(Volts)
(Volts) Fe
Fe--H2O
H2O--System
Systemat
at5.00
5.00 CC
2.0
2.0

1.5
1.5

1.0
1.0

0.5
0.5

0.0
0.0
Fe(+2a)
Fe(+2a) FeOH(+a)
FeOH(+a) HFeO2(-a)
HFeO2(-a)
-0.5
-0.5

-1.0
-1.0

-1.5
-1.5
H2O
H2O Limits
Limits
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18
C:\HSC6\EpH\Fe5.iep
C:\HSC6\EpH\Fe5.iep pH
pH

ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
Fe
Fe 1.000E-03
1.000E-03 1.000E+00
1.000E+00
 -1.5
-1.5
H2O
H2O Limits
Limits
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18
C:\HSC6\EpH\Fe5.iep
C:\HSC6\EpH\Fe5.iep pH
pH

ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
Fe
Fe 1.000E-03
1.000E-03 1.000E+00
1.000E+00

pH1 pH2 %
30 9.964467851 10.49831594 0%
25 9.964467851 10.49831594 10%
20 9.964467851 10.49831594 20%
15 9.964467851 10.49831594 30%
10 9.964467851 10.49831594 40%
5 9.964467851 10.49831594 50%
0 9.964467851 10.49831594 60%
-5 9.964467851 10.49831594 70%
-10 9.964467851 10.49831594 80%
-15 9.964467851 10.49831594 90%
-20 9.964467851 10.49831594 100%
-25 9.964467851 10.49831594
-30 9.964467851 10.49831594
-35 9.964467851 10.49831594
-40 9.964467851 10.49831594
-45 9.964467851 10.49831594

CO2(a) - H2O
Reacciones
CO2(a) + H2O = H2CO3(a) k1' = [H2CO3(a)] / [CO2(a)]
H2CO3(a) = HCO3(-a) + H(+a) k2' = [HCO3(-a)]*[H(+a)] / [H2CO3(a)]
HCO3(-a) = CO3(-2a) + H(+a) k3' = [CO3(-2a)]*[H(+a)] / [HCO3(-a)]

∑[CO2(a)] = [CO2(a)] + [H2CO3(a)] + [HCO3(-a)] + [CO3(-2a)]

([𝑪𝑶𝟐(𝒂)])/(∑[𝑪𝑶𝟐(𝒂)])=𝟏/(𝟏+𝒌𝟏+(𝒌𝟏∗𝒌𝟐)/𝑯+(𝒌𝟏∗𝒌𝟐∗𝒌𝟑)/𝑯^𝟐
([𝑯𝟐𝑪𝑶𝟑(𝒂)])/(∑[𝑪𝑶𝟐(𝒂)])=𝟏/(𝟏+𝟏/𝒌𝟏+𝒌𝟐/𝑯+(
)

%𝑪𝑶𝟐(𝒂)=%𝑯𝑪𝑶𝟑(−𝒂) %𝑯𝑪𝑶𝟑(−𝒂)=%𝑪𝑶𝟑(−𝟐𝒂)
→𝒑𝑯𝟏=−𝑳𝒐𝒈𝒌𝟏′∗𝒌𝟐′ →𝒑𝑯𝟐=−𝑳𝒐𝒈𝒌𝟑′
Eh (Volts) C - H2O - System at 5.00 C
2.0

1.5

1.0

0.5

0.0

CO2(a) HCO3(-a) CO3(-2a)

-0.5

-1.0

-1.5

H2O Limits
-2.0
0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\CO2_5.iep pH

ELEMENTS Molality Pressure

C 1.000E-03 1.000E+00

pH1 pH2 %
30 6.509512811 10.47124297 0%
25 6.509512811 10.47124297 10%
20 6.509512811 10.47124297 20%
15 6.509512811 10.47124297 30%
10 6.509512811 10.47124297 40%
5 6.509512811 10.47124297 50%
0 6.509512811 10.47124297 60%
-5 6.509512811 10.47124297 70%
-10 6.509512811 10.47124297 80%
-15 6.509512811 10.47124297 90%
-20 6.509512811 10.47124297 100%
-25 6.509512811 10.47124297
-30 6.509512811 10.47124297
-35 6.509512811 10.47124297
-40 6.509512811 10.47124297
-45 6.509512811 10.47124297
 SO4(-2a) - H2O
Reacciones
SO3(a) + H2O = HSO4(-a) + H(+a) k1' = [HSO4(-a)]*[H(+a)] / [SO3(a)]
HSO4(-a) = SO4(-2a) + H(+a) k2' = [SO4(-2a)]*[H(+a)] / [HSO4(-a)]

∑[SO4(-2a)] = [SO3(a)] + [HSO4(-a)] + [SO4(-2a)]

([𝑺𝑶𝟑(𝒂)])/(∑[𝑺𝑶𝟒(−𝟐𝒂)])=𝟏/(𝟏+𝒌𝟏/𝑯+(𝒌𝟏∗𝒌𝟐)/𝑯^𝟐 ([𝑺𝑶𝟒(−𝟐𝒂)])/(
([𝑯𝑺𝑶𝟒(−𝒂)])/(∑[𝑺𝑶𝟒(−𝟐𝒂)])=𝟏/(𝟏+𝑯/𝒌𝟏+𝒌𝟐/𝑯)
)

%𝑺𝑶𝟑(𝒂)=%𝑯𝑺𝑶𝟒(−𝒂) %𝑯𝑺𝑶𝟒(−𝒂)=%𝑺𝑶𝟒(−𝟐𝒂)
→𝒑𝑯𝟏=−𝑳𝒐𝒈𝒌𝟏′ →𝒑𝑯𝟐=−𝑳𝒐𝒈𝒌𝟐′

Eh (Volts) S - H2O - System at 5.00 C

2.0

1.5

1.0

0.5

0.0

SO3(a) SO4(-2a)
-0.5

-1.0

-1.5

H2O Limits
-2.0
-2 0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S5.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00
 H2O Limits
-2.0
-2 0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S5.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00

pH1 pH2 %
30 1.732254712 1.585147913 0%
25 1.732254712 1.585147913 10%
20 1.732254712 1.585147913 20%
15 1.732254712 1.585147913 30%
10 1.732254712 1.585147913 40%
5 1.732254712 1.585147913 50%
0 1.732254712 1.585147913 60%
-5 1.732254712 1.585147913 70%
-10 1.732254712 1.585147913 80%
-15 1.732254712 1.585147913 90%
-20 1.732254712 1.585147913 100%
-25 1.732254712 1.585147913
-30 1.732254712 1.585147913
-35 1.732254712 1.585147913
-40 1.732254712 1.585147913
-45 1.732254712 1.585147913

S(-2a) - H2O
Reacciones
H2S(a) = HS(-a) + H(+a) k1' = [HS(-a)]*[H(+a)] / [H2S(a)]
HS(-a) = S(-2a) + H(+a) k2' = [S(-2a)]*[H(+a)] / [HS(-a)]

∑[S(-2a)] = [H2S(a)] + [HS(-a)] + [S(-2a)]

[𝑯𝟐𝑺(𝒂)]/(∑[� (−�� )])=𝟏/(𝟏+𝒌𝟏/𝑯+(𝒌𝟏∗𝒌𝟐)/𝑯^𝟐[𝑯𝑺(−𝒂)]/(∑

) [� (−�� )])=𝟏/(𝟏+𝑯/𝒌𝟏+𝒌𝟐/𝑯)

%𝑯𝟐𝑺(𝒂)=%𝑯𝑺(−𝒂) %𝑯𝑺(−𝒂)=%𝑺(−𝟐𝒂)
→𝒑𝑯𝟏=−𝑳𝒐𝒈𝒌𝟏′ →𝒑𝑯𝟐=−𝑳𝒐𝒈𝒌𝟐′

Eh (Volts) S - H2O - System at 5.00 C

2.0

1.5
Eh (Volts) S - H2O - System at 5.00 C
2.0

1.5

1.0

0.5

0.0

H2S(a) HS(-a) S(-2a)

-0.5

-1.0

-1.5

H2O Limits
-2.0
0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S2.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00

pH1 pH2 %
30 7.259387741 13.47986671 0%
25 7.259387741 13.47986671 10%
20 7.259387741 13.47986671 20%
15 7.259387741 13.47986671 30%
10 7.259387741 13.47986671 40%
5 7.259387741 13.47986671 50%
0 7.259387741 13.47986671 60%
-5 7.259387741 13.47986671 70%
-10 7.259387741 13.47986671 80%
-15 7.259387741 13.47986671 90%
-20 7.259387741 13.47986671 100%
-25 7.259387741 13.47986671
-30 7.259387741 13.47986671
-35 7.259387741 13.47986671
-40 7.259387741 13.47986671
-45 7.259387741 13.47986671
 k\T 278.15 298.15 368.15
k1' 1.09E-10 4.85E-10 2.54E-08
k2' 1.32E-12 8.02E-12 9.51E-10
k3' 7.64E-10 1.50E-09 8.82E-09
k4' 1.43E-22 3.89E-21 2.41E-17

�� (+�� )] 〗 )= ([𝑭𝒆𝑶(𝒂)])/(∑▒ 〖 [�� (+�� )] 〗 )=

𝟐∗𝒌𝟑)/𝑯^𝟐 ) ([𝑯𝑭𝒆𝑶𝟐(−𝒂)])/(∑▒ 〖 [�� (+�� )] 〗 )= 𝟏/(𝟏+𝑯^𝟑/(𝒌𝟏∗𝒌𝟐∗𝒌𝟑)+𝑯^𝟐
𝟏/(𝟏+𝑯^𝟐/(𝒌𝟏∗𝒌𝟐)+𝑯/𝒌𝟐+𝒌𝟑/𝑯)

Eh
Eh(Volts)
(Volts) Fe
Fe--H2O
H2O--System
Systematat25.00
25.00 CC
2.0
2.0

1.5
1.5

1.0
1.0

0.5
0.5

0.0
0.0
Fe(+2a)
Fe(+2a) FeOH(+a)
FeOH(+a) HFeO2(-a)
HFeO2(-a)
-0.5
-0.5

-1.0
-1.0

-1.5
-1.5
O Limits
2O Limits H2O
H2O Limits
Limits
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18
C:\HSC6\EpH\Fe5.iep
C:\HSC6\EpH\Fe5.iep pH
pH

ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
Fe
Fe 1.000E-03
1.000E-03 1.000E+00
1.000E+00
 -1.5
-1.5
O Limits
2O Limits H2O
H2O Limits
Limits
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18
C:\HSC6\EpH\Fe5.iep
C:\HSC6\EpH\Fe5.iep pH
pH

ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
Fe
Fe 1.000E-03
1.000E-03 1.000E+00
1.000E+00

pH1 pH2 %
30 9.314526365 9.960437188 0%
25 9.314526365 9.960437188 10%
20 9.314526365 9.960437188 20%
15 9.314526365 9.960437188 30%
10 9.314526365 9.960437188 40%
5 9.314526365 9.960437188 50%
0 9.314526365 9.960437188 60%
-5 9.314526365 9.960437188 70%
-10 9.314526365 9.960437188 80%
-15 9.314526365 9.960437188 90%
-20 9.314526365 9.960437188 100%
-25 9.314526365 9.960437188
-30 9.314526365 9.960437188
-35 9.314526365 9.960437188
-40 9.314526365 9.960437188
-45 9.314526365 9.960437188

k\T 278.15 298.15 368.15

k1' 9.44E-01 8.01E-01 5.18E-01
k2' 3.28E-07 4.28E-07 8.70E-07
k3' 3.38E-11 4.50E-11 9.62E-11

([𝑯𝑪𝑶𝟑(−𝒂)])/(∑[𝑪𝑶𝟐(𝒂)])=𝟏/(𝟏+𝑯/(𝒌𝟏∗𝒌𝟐)+𝑯/𝒌𝟐+𝒌𝟑/𝑯)
=𝟏/(𝟏+𝟏/𝒌𝟏+𝒌𝟐/𝑯+(𝒌𝟐∗𝒌𝟑)/𝑯^𝟐 ) ([𝑪𝑶𝟑(−𝟐𝒂)])/(∑[𝑪𝑶𝟐(𝒂)])=𝟏/
Eh (Volts) C - H2O - System at 25.00 C
2.0

1.5

1.0

0.5

0.0

CO2(a) HCO3(-a) CO3(-2a)

-0.5

-1.0

-1.5

H2O Limits
-2.0
0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\CO2_5.iep pH

ELEMENTS Molality Pressure

C 1.000E-03 1.000E+00

pH1 pH2 %
30 6.464627517 10.34651071 0%
25 6.464627517 10.34651071 10%
20 6.464627517 10.34651071 20%
15 6.464627517 10.34651071 30%
10 6.464627517 10.34651071 40%
5 6.464627517 10.34651071 50%
0 6.464627517 10.34651071 60%
-5 6.464627517 10.34651071 70%
-10 6.464627517 10.34651071 80%
-15 6.464627517 10.34651071 90%
-20 6.464627517 10.34651071 100%
-25 6.464627517 10.34651071
-30 6.464627517 10.34651071
-35 6.464627517 10.34651071
-40 6.464627517 10.34651071
-45 6.464627517 10.34651071
 k\T 278.15 298.15 368.15
k1' 1.85E-02 4.88E-02 6.33E-01
k2' 2.60E-02 1.15E-02 1.35E-03

([𝑺𝑶𝟒(−𝟐𝒂)])/(∑[𝑺𝑶𝟒(−𝟐𝒂)])=𝟏/(𝟏+𝑯/𝒌𝟐+𝑯^𝟐/(𝒌𝟏∗𝒌𝟐))
+𝑯/𝒌𝟏+𝒌𝟐/𝑯)

Eh (Volts) S - H2O - System at 25.00 C

2.0

1.5

1.0

0.5

0.0

HSO4(-a) SO4(-2a)
-0.5
SO3(a)
-1.0

-1.5

H2O Limits
-2.0
-2 0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S5.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00
 H2O Limits
-2.0
-2 0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S5.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00

pH1 pH2 %
30 1.311441873 1.937446591 0%
25 1.311441873 1.937446591 10%
20 1.311441873 1.937446591 20%
15 1.311441873 1.937446591 30%
10 1.311441873 1.937446591 40%
5 1.311441873 1.937446591 50%
0 1.311441873 1.937446591 60%
-5 1.311441873 1.937446591 70%
-10 1.311441873 1.937446591 80%
-15 1.311441873 1.937446591 90%
-20 1.311441873 1.937446591 100%
-25 1.311441873 1.937446591
-30 1.311441873 1.937446591
-35 1.311441873 1.937446591
-40 1.311441873 1.937446591
-45 1.311441873 1.937446591

k\T 278.15 298.15 368.15

k1' 5.50E-08 9.10E-08 3.44E-07
k2' 3.31E-14 1.30E-13 4.83E-12

([� (−�� )])/(∑[� (−�� )])=𝟏/(𝟏+𝑯^𝟐/(𝒌𝟏∗𝒌𝟐)+𝑯/𝒌𝟐)

Eh (Volts) S - H2O - System at 25.00 C

2.0

1.5
Eh (Volts) S - H2O - System at 25.00 C
2.0

1.5

1.0

0.5

0.0

H2S(a) HS(-a) S(-2a)

-0.5

-1.0

-1.5

H2O Limits
-2.0
0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S2.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00

pH1 pH2 %
30 7.040817479 12.88609984 0%
25 7.040817479 12.88609984 10%
20 7.040817479 12.88609984 20%
15 7.040817479 12.88609984 30%
10 7.040817479 12.88609984 40%
5 7.040817479 12.88609984 50%
0 7.040817479 12.88609984 60%
-5 7.040817479 12.88609984 70%
-10 7.040817479 12.88609984 80%
-15 7.040817479 12.88609984 90%
-20 7.040817479 12.88609984 100%
-25 7.040817479 12.88609984
-30 7.040817479 12.88609984
-35 7.040817479 12.88609984
-40 7.040817479 12.88609984
-45 7.040817479 12.88609984
𝟏+𝑯^𝟑/(𝒌𝟏∗𝒌𝟐∗𝒌𝟑)+𝑯^𝟐/(𝒌𝟐∗𝒌𝟑)+𝑯/𝒌𝟑)

Eh
Eh(Volts)
(Volts) Fe
Fe--H2O
H2O--System
Systematat95.00
95.00CC
2.0
2.0

1.5
1.5

1.0
1.0

0.5
0.5

0.0
0.0
Fe(+2a)
Fe(+2a) FeOH(+a)
FeOH(+a) HFeO2(-a)
HFeO2(-a)
-0.5
-0.5

-1.0
-1.0

-1.5
-1.5
2O Limits
H2O Limits H2O
H2O Limits
Limits
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18
C:\HSC6\EpH\Fe5.iep
C:\HSC6\EpH\Fe5.iep pH
pH

ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
Fe
Fe 1.000E-03
1.000E-03 1.000E+00
1.000E+00
 -1.5
-1.5
2O Limits
H2O Limits H2O
H2O Limits
Limits
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18
C:\HSC6\EpH\Fe5.iep
C:\HSC6\EpH\Fe5.iep pH
pH

ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
Fe
Fe 1.000E-03
1.000E-03 1.000E+00
1.000E+00

pH1 pH2 %
30 7.59584027 8.53808647 0%
25 7.59584027 8.53808647 10%
20 7.59584027 8.53808647 20%
15 7.59584027 8.53808647 30%
10 7.59584027 8.53808647 40%
5 7.59584027 8.53808647 50%
0 7.59584027 8.53808647 60%
-5 7.59584027 8.53808647 70%
-10 7.59584027 8.53808647 80%
-15 7.59584027 8.53808647 90%
-20 7.59584027 8.53808647 100%
-25 7.59584027 8.53808647
-30 7.59584027 8.53808647
-35 7.59584027 8.53808647
-40 7.59584027 8.53808647
-45 7.59584027 8.53808647

(−𝟐𝒂)])/(∑[𝑪𝑶𝟐(𝒂)])=𝟏/(𝟏+𝑯^𝟐/(𝒌𝟏∗𝒌𝟐∗𝒌𝟑)+𝑯^𝟐/(𝒌𝟐∗𝒌𝟑)+𝑯/𝒌𝟑)
Eh (Volts) C - H2O - System at 95.00 C
2.0

1.5

1.0

0.5

0.0

CO2(a) HCO3(-a) CO3(-2a)

-0.5

-1.0

-1.5

H2O Limits
-2.0
0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\CO2_5.iep pH

ELEMENTS Molality Pressure

C 1.000E-03 1.000E+00

pH1 pH2 %
30 6.34593417 10.0166724 0%
25 6.34593417 10.0166724 10%
20 6.34593417 10.0166724 20%
15 6.34593417 10.0166724 30%
10 6.34593417 10.0166724 40%
5 6.34593417 10.0166724 50%
0 6.34593417 10.0166724 60%
-5 6.34593417 10.0166724 70%
-10 6.34593417 10.0166724 80%
-15 6.34593417 10.0166724 90%
-20 6.34593417 10.0166724 100%
-25 6.34593417 10.0166724
-30 6.34593417 10.0166724
-35 6.34593417 10.0166724
-40 6.34593417 10.0166724
-45 6.34593417 10.0166724
 Eh (Volts) S - H2O - System at 95.00 C
2.0

1.5

1.0

0.5

0.0

SO3(a) HSO4(-a) SO4(-2a)

-0.5

-1.0

-1.5

2O Limits H2O Limits

-2.0
-2 0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S5.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00
2O Limits H2O Limits
-2.0
-2 0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S5.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00

pH1 pH2 %
30 0.19865682 2.86905482 0%
25 0.19865682 2.86905482 10%
20 0.19865682 2.86905482 20%
15 0.19865682 2.86905482 30%
10 0.19865682 2.86905482 40%
5 0.19865682 2.86905482 50%
0 0.19865682 2.86905482 60%
-5 0.19865682 2.86905482 70%
-10 0.19865682 2.86905482 80%
-15 0.19865682 2.86905482 90%
-20 0.19865682 2.86905482 100%
-25 0.19865682 2.86905482
-30 0.19865682 2.86905482
-35 0.19865682 2.86905482
-40 0.19865682 2.86905482
-45 0.19865682 2.86905482

Eh (Volts) S - H2O - System at 95.00 C

2.0

1.5
 Eh (Volts) S - H2O - System at 95.00 C
2.0

1.5

1.0

0.5

0.0

H2S(a) HS(-a) S(-2a)

-0.5

-1.0

-1.5

2O Limits H2O Limits

-2.0
0 2 4 6 8 10 12 14 16 18

C:\HSC6\EpH\S2.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00

pH1 pH2 %
30 6.46283673 11.3159602 0%
25 6.46283673 11.3159602 10%
20 6.46283673 11.3159602 20%
15 6.46283673 11.3159602 30%
10 6.46283673 11.3159602 40%
5 6.46283673 11.3159602 50%
0 6.46283673 11.3159602 60%
-5 6.46283673 11.3159602 70%
-10 6.46283673 11.3159602 80%
-15 6.46283673 11.3159602 90%
-20 6.46283673 11.3159602 100%
-25 6.46283673 11.3159602
-30 6.46283673 11.3159602
-35 6.46283673 11.3159602
-40 6.46283673 11.3159602
-45 6.46283673 11.3159602
 2O Limits
H2O Limits
 2O Limits
H2O Limits
H2O Limits
H2O Limits
H2O Limits
 Reacciones
Fe(+2a) + 2H2O = Fe(OH)2 + 2H(+a) k1 = [H(+a)]2/ [Fe(+2a)]
FeOH(+a) + H2O = Fe(OH)2 + H(+a) k2 = [H(+a)] / [FeOH(+a)]
FeO(a) + H2O = Fe(OH)2 k3 = 1 / [FeO(a)]
HFeO2(-a) + H(+a) = Fe(OH)2 k4 = 1 / [HFeO2(-a)][H(+a)]

∑[Fe(+2a)]= [Fe(+2a)] + [FeOH(+a)] + [FeO(a)] + [HFeO2(-a)]

[𝐹𝑒(+2𝑎)]= 〖 [𝐻] 〗 ^2/𝑘1 [𝐹𝑒𝑂𝐻(+𝑎)]=([𝐻])/𝑘2 [𝐹𝑒𝑂(𝑎)]= 1/𝑘3 [𝐻𝐹𝑒𝑂2(−𝑎)]=

pH [H(+a)] [Fe(+2a)] [FeOH(+a)] [FeO(a)] [HFeO2(-a)] ∑Fe(+2a) Log[Fe(+2a)]

0 1.00E+00 1.17E+14 1.27E+04 1.67E-08 1.28E-17 1.17E+14 1.41E+01
0.5 3.16E-01 1.17E+13 4.01E+03 1.67E-08 4.04E-17 1.17E+13 1.31E+01
1 1.00E-01 1.17E+12 1.27E+03 1.67E-08 1.28E-16 1.17E+12 1.21E+01
1.5 3.16E-02 1.17E+11 4.01E+02 1.67E-08 4.04E-16 1.17E+11 1.11E+01
2 1.00E-02 1.17E+10 1.27E+02 1.67E-08 1.28E-15 1.17E+10 1.01E+01
2.5 3.16E-03 1.17E+09 4.01E+01 1.67E-08 4.04E-15 1.17E+09 9.07E+00
3 1.00E-03 1.17E+08 1.27E+01 1.67E-08 1.28E-14 1.17E+08 8.07E+00
3.5 3.16E-04 1.17E+07 4.01E+00 1.67E-08 4.04E-14 1.17E+07 7.07E+00
4 1.00E-04 1.17E+06 1.27E+00 1.67E-08 1.28E-13 1.17E+06 6.07E+00
4.5 3.16E-05 1.17E+05 4.01E-01 1.67E-08 4.04E-13 1.17E+05 5.07E+00
5 1.00E-05 1.17E+04 1.27E-01 1.67E-08 1.28E-12 1.17E+04 4.07E+00
5.5 3.16E-06 1.17E+03 4.01E-02 1.67E-08 4.04E-12 1.17E+03 3.07E+00
6 1.00E-06 1.17E+02 1.27E-02 1.67E-08 1.28E-11 1.17E+02 2.07E+00
6.5 3.16E-07 1.17E+01 4.01E-03 1.67E-08 4.04E-11 1.17E+01 1.07E+00
7 1.00E-07 1.17E+00 1.27E-03 1.67E-08 1.28E-10 1.17E+00 6.78E-02
7.5 3.16E-08 1.17E-01 4.01E-04 1.67E-08 4.04E-10 1.17E-01 -9.32E-01
8 1.00E-08 1.17E-02 1.27E-04 1.67E-08 1.28E-09 1.18E-02 -1.93E+00
8.5 3.16E-09 1.17E-03 4.01E-05 1.67E-08 4.04E-09 1.21E-03 -2.93E+00
9 1.00E-09 1.17E-04 1.27E-05 1.67E-08 1.28E-08 1.30E-04 -3.93E+00
9.5 3.16E-10 1.17E-05 4.01E-06 1.67E-08 4.04E-08 1.58E-05 -4.93E+00
10 1.00E-10 1.17E-06 1.27E-06 1.67E-08 1.28E-07 2.58E-06 -5.93E+00
10.5 3.16E-11 1.17E-07 4.01E-07 1.67E-08 4.04E-07 9.39E-07 -6.93E+00
11 1.00E-11 1.17E-08 1.27E-07 1.67E-08 1.28E-06 1.43E-06 -7.93E+00
11.5 3.16E-12 1.17E-09 4.01E-08 1.67E-08 4.04E-06 4.10E-06 -8.93E+00
12 1.00E-12 1.17E-10 1.27E-08 1.67E-08 1.28E-05 1.28E-05 -9.93E+00
12.5 3.16E-13 1.17E-11 4.01E-09 1.67E-08 4.04E-05 4.04E-05 -1.09E+01
13 1.00E-13 1.17E-12 1.27E-09 1.67E-08 1.28E-04 1.28E-04 -1.19E+01
13.5 3.16E-14 1.17E-13 4.01E-10 1.67E-08 4.04E-04 4.04E-04 -1.29E+01
14 1.00E-14 1.17E-14 1.27E-10 1.67E-08 1.28E-03 1.28E-03 -1.39E+01
14.5 3.16E-15 1.17E-15 4.01E-11 1.67E-08 4.04E-03 4.04E-03 -1.49E+01
15 1.00E-15 1.17E-16 1.27E-11 1.67E-08 1.28E-02 1.28E-02 -1.59E+01
15.5 3.16E-16 1.17E-17 4.01E-12 1.67E-08 4.04E-02 4.04E-02 -1.69E+01
16 1.00E-16 1.17E-18 1.27E-12 1.67E-08 1.28E-01 1.28E-01 -1.79E+01
16.5 3.16E-17 1.17E-19 4.01E-13 1.67E-08 4.04E-01 4.04E-01 -1.89E+01
17 1.00E-17 1.17E-20 1.27E-13 1.67E-08 1.28E+00 1.28E+00 -1.99E+01
17.5 3.16E-18 1.17E-21 4.01E-14 1.67E-08 4.04E+00 4.04E+00 -2.09E+01
18 1.00E-18 1.17E-22 1.27E-14 1.67E-08 1.28E+01 1.28E+01 -2.19E+01

pH [H(+a)] [Fe(+2a)] [FeOH(+a)] [FeO(a)] [HFeO2(-a)] ∑Fe(+2a) Log[Fe(+2a)]

0 1.00E+00 8.76E+12 4.24E+03 3.41E-08 5.09E-17 8.76E+12 1.29E+01
0.5 3.16E-01 8.76E+11 1.34E+03 3.41E-08 1.61E-16 8.76E+11 1.19E+01
1 1.00E-01 8.76E+10 4.24E+02 3.41E-08 5.09E-16 8.76E+10 1.09E+01
1.5 3.16E-02 8.76E+09 1.34E+02 3.41E-08 1.61E-15 8.76E+09 9.94E+00
2 1.00E-02 8.76E+08 4.24E+01 3.41E-08 5.09E-15 8.76E+08 8.94E+00
2.5 3.16E-03 8.76E+07 1.34E+01 3.41E-08 1.61E-14 8.76E+07 7.94E+00
3 1.00E-03 8.76E+06 4.24E+00 3.41E-08 5.09E-14 8.76E+06 6.94E+00
3.5 3.16E-04 8.76E+05 1.34E+00 3.41E-08 1.61E-13 8.76E+05 5.94E+00
4 1.00E-04 8.76E+04 4.24E-01 3.41E-08 5.09E-13 8.76E+04 4.94E+00
4.5 3.16E-05 8.76E+03 1.34E-01 3.41E-08 1.61E-12 8.76E+03 3.94E+00
5 1.00E-05 8.76E+02 4.24E-02 3.41E-08 5.09E-12 8.76E+02 2.94E+00
5.5 3.16E-06 8.76E+01 1.34E-02 3.41E-08 1.61E-11 8.76E+01 1.94E+00
6 1.00E-06 8.76E+00 4.24E-03 3.41E-08 5.09E-11 8.76E+00 9.42E-01
6.5 3.16E-07 8.76E-01 1.34E-03 3.41E-08 1.61E-10 8.77E-01 -5.77E-02
7 1.00E-07 8.76E-02 4.24E-04 3.41E-08 5.09E-10 8.80E-02 -1.06E+00
7.5 3.16E-08 8.76E-03 1.34E-04 3.41E-08 1.61E-09 8.89E-03 -2.06E+00
8 1.00E-08 8.76E-04 4.24E-05 3.41E-08 5.09E-09 9.18E-04 -3.06E+00
8.5 3.16E-09 8.76E-05 1.34E-05 3.41E-08 1.61E-08 1.01E-04 -4.06E+00
9 1.00E-09 8.76E-06 4.24E-06 3.41E-08 5.09E-08 1.31E-05 -5.06E+00
9.5 3.16E-10 8.76E-07 1.34E-06 3.41E-08 1.61E-07 2.41E-06 -6.06E+00
10 1.00E-10 8.76E-08 4.24E-07 3.41E-08 5.09E-07 1.06E-06 -7.06E+00
10.5 3.16E-11 8.76E-09 1.34E-07 3.41E-08 1.61E-06 1.79E-06 -8.06E+00
11 1.00E-11 8.76E-10 4.24E-08 3.41E-08 5.09E-06 5.17E-06 -9.06E+00
11.5 3.16E-12 8.76E-11 1.34E-08 3.41E-08 1.61E-05 1.62E-05 -1.01E+01
12 1.00E-12 8.76E-12 4.24E-09 3.41E-08 5.09E-05 5.10E-05 -1.11E+01
12.5 3.16E-13 8.76E-13 1.34E-09 3.41E-08 1.61E-04 1.61E-04 -1.21E+01
13 1.00E-13 8.76E-14 4.24E-10 3.41E-08 5.09E-04 5.09E-04 -1.31E+01
13.5 3.16E-14 8.76E-15 1.34E-10 3.41E-08 1.61E-03 1.61E-03 -1.41E+01
14 1.00E-14 8.76E-16 4.24E-11 3.41E-08 5.09E-03 5.09E-03 -1.51E+01
14.5 3.16E-15 8.76E-17 1.34E-11 3.41E-08 1.61E-02 1.61E-02 -1.61E+01
15 1.00E-15 8.76E-18 4.24E-12 3.41E-08 5.09E-02 5.09E-02 -1.71E+01
15.5 3.16E-16 8.76E-19 1.34E-12 3.41E-08 1.61E-01 1.61E-01 -1.81E+01
16 1.00E-16 8.76E-20 4.24E-13 3.41E-08 5.09E-01 5.09E-01 -1.91E+01
16.5 3.16E-17 8.76E-21 1.34E-13 3.41E-08 1.61E+00 1.61E+00 -2.01E+01
 17 1.00E-17 8.76E-22 4.24E-14 3.41E-08 5.09E+00 5.09E+00 -2.11E+01
17.5 3.16E-18 8.76E-23 1.34E-14 3.41E-08 1.61E+01 1.61E+01 -2.21E+01
18 1.00E-18 8.76E-24 4.24E-15 3.41E-08 5.09E+01 5.09E+01 -2.31E+01

pH [H(+a)] [Fe(+2a)] [FeOH(+a)] [FeO(a)] [HFeO2(-a)] ∑Fe(+2a) Log[Fe(+2a)]

0 1.00E+00 9.25E+09 2.35E+02 2.23E-07 1.97E-15 9.25E+09 9.97E+00
0.5 3.16E-01 9.25E+08 7.42E+01 2.23E-07 6.23E-15 9.25E+08 8.97E+00
1 1.00E-01 9.25E+07 2.35E+01 2.23E-07 1.97E-14 9.25E+07 7.97E+00
1.5 3.16E-02 9.25E+06 7.42E+00 2.23E-07 6.23E-14 9.25E+06 6.97E+00
2 1.00E-02 9.25E+05 2.35E+00 2.23E-07 1.97E-13 9.25E+05 5.97E+00
2.5 3.16E-03 9.25E+04 7.42E-01 2.23E-07 6.23E-13 9.25E+04 4.97E+00
3 1.00E-03 9.25E+03 2.35E-01 2.23E-07 1.97E-12 9.25E+03 3.97E+00
3.5 3.16E-04 9.25E+02 7.42E-02 2.23E-07 6.23E-12 9.25E+02 2.97E+00
4 1.00E-04 9.25E+01 2.35E-02 2.23E-07 1.97E-11 9.25E+01 1.97E+00
4.5 3.16E-05 9.25E+00 7.42E-03 2.23E-07 6.23E-11 9.26E+00 9.66E-01
5 1.00E-05 9.25E-01 2.35E-03 2.23E-07 1.97E-10 9.28E-01 -3.38E-02
5.5 3.16E-06 9.25E-02 7.42E-04 2.23E-07 6.23E-10 9.33E-02 -1.03E+00
6 1.00E-06 9.25E-03 2.35E-04 2.23E-07 1.97E-09 9.49E-03 -2.03E+00
6.5 3.16E-07 9.25E-04 7.42E-05 2.23E-07 6.23E-09 1.00E-03 -3.03E+00
7 1.00E-07 9.25E-05 2.35E-05 2.23E-07 1.97E-08 1.16E-04 -4.03E+00
7.5 3.16E-08 9.25E-06 7.42E-06 2.23E-07 6.23E-08 1.70E-05 -5.03E+00
8 1.00E-08 9.25E-07 2.35E-06 2.23E-07 1.97E-07 3.69E-06 -6.03E+00
8.5 3.16E-09 9.25E-08 7.42E-07 2.23E-07 6.23E-07 1.68E-06 -7.03E+00
9 1.00E-09 9.25E-09 2.35E-07 2.23E-07 1.97E-06 2.44E-06 -8.03E+00
9.5 3.16E-10 9.25E-10 7.42E-08 2.23E-07 6.23E-06 6.52E-06 -9.03E+00
10 1.00E-10 9.25E-11 2.35E-08 2.23E-07 1.97E-05 1.99E-05 -1.00E+01
10.5 3.16E-11 9.25E-12 7.42E-09 2.23E-07 6.23E-05 6.25E-05 -1.10E+01
11 1.00E-11 9.25E-13 2.35E-09 2.23E-07 1.97E-04 1.97E-04 -1.20E+01
11.5 3.16E-12 9.25E-14 7.42E-10 2.23E-07 6.23E-04 6.23E-04 -1.30E+01
12 1.00E-12 9.25E-15 2.35E-10 2.23E-07 1.97E-03 1.97E-03 -1.40E+01
12.5 3.16E-13 9.25E-16 7.42E-11 2.23E-07 6.23E-03 6.23E-03 -1.50E+01
13 1.00E-13 9.25E-17 2.35E-11 2.23E-07 1.97E-02 1.97E-02 -1.60E+01
13.5 3.16E-14 9.25E-18 7.42E-12 2.23E-07 6.23E-02 6.23E-02 -1.70E+01
14 1.00E-14 9.25E-19 2.35E-12 2.23E-07 1.97E-01 1.97E-01 -1.80E+01
14.5 3.16E-15 9.25E-20 7.42E-13 2.23E-07 6.23E-01 6.23E-01 -1.90E+01
15 1.00E-15 9.25E-21 2.35E-13 2.23E-07 1.97E+00 1.97E+00 -2.00E+01
15.5 3.16E-16 9.25E-22 7.42E-14 2.23E-07 6.23E+00 6.23E+00 -2.10E+01
16 1.00E-16 9.25E-23 2.35E-14 2.23E-07 1.97E+01 1.97E+01 -2.20E+01
16.5 3.16E-17 9.25E-24 7.42E-15 2.23E-07 6.23E+01 6.23E+01 -2.30E+01
17 1.00E-17 9.25E-25 2.35E-15 2.23E-07 1.97E+02 1.97E+02 -2.40E+01
17.5 3.16E-18 9.25E-26 7.42E-16 2.23E-07 6.23E+02 6.23E+02 -2.50E+01
18 1.00E-18 9.25E-27 2.35E-16 2.23E-07 1.97E+03 1.97E+03 -2.60E+01
 k\T 278.15 298.15 368.15
k1 8.55E-15 1.14E-13 1.08E-10
k2 7.88E-05 2.36E-04 4.26E-03
k3 5.98E+07 2.94E+07 4.48E+06
k4 7.82E+16 1.96E+16 5.08E+14

[𝐻𝐹𝑒𝑂2(−𝑎)]= 1/(𝑘4∗[𝐻])

Log[FeOH(+a)] Log[FeO(a)] Log[HFeO2(-a)] Log[∑Fe(+2a)] %Fe(+2a) %FeOH(+a)

4.10E+00 -7.78E+00 -1.69E+01 1.41E+01 1.00E+00 1.09E-10
3.60E+00 -7.78E+00 -1.64E+01 1.31E+01 1.00E+00 3.43E-10
3.10E+00 -7.78E+00 -1.59E+01 1.21E+01 1.00E+00 1.09E-09
2.60E+00 -7.78E+00 -1.54E+01 1.11E+01 1.00E+00 3.43E-09
2.10E+00 -7.78E+00 -1.49E+01 1.01E+01 1.00E+00 1.09E-08
1.60E+00 -7.78E+00 -1.44E+01 9.07E+00 1.00E+00 3.43E-08
1.10E+00 -7.78E+00 -1.39E+01 8.07E+00 1.00E+00 1.09E-07
6.03E-01 -7.78E+00 -1.34E+01 7.07E+00 1.00E+00 3.43E-07
1.03E-01 -7.78E+00 -1.29E+01 6.07E+00 1.00E+00 1.09E-06
-3.97E-01 -7.78E+00 -1.24E+01 5.07E+00 1.00E+00 3.43E-06
-8.97E-01 -7.78E+00 -1.19E+01 4.07E+00 1.00E+00 1.09E-05
-1.40E+00 -7.78E+00 -1.14E+01 3.07E+00 1.00E+00 3.43E-05
-1.90E+00 -7.78E+00 -1.09E+01 2.07E+00 1.00E+00 1.09E-04
-2.40E+00 -7.78E+00 -1.04E+01 1.07E+00 1.00E+00 3.43E-04
-2.90E+00 -7.78E+00 -9.89E+00 6.83E-02 9.99E-01 1.08E-03
-3.40E+00 -7.78E+00 -9.39E+00 -9.31E-01 9.97E-01 3.42E-03
-3.90E+00 -7.78E+00 -8.89E+00 -1.93E+00 9.89E-01 1.07E-02
-4.40E+00 -7.78E+00 -8.39E+00 -2.92E+00 9.67E-01 3.32E-02
-4.90E+00 -7.78E+00 -7.89E+00 -3.89E+00 9.02E-01 9.79E-02
-5.40E+00 -7.78E+00 -7.39E+00 -4.80E+00 7.42E-01 2.55E-01
-5.90E+00 -7.78E+00 -6.89E+00 -5.59E+00 4.53E-01 4.91E-01
-6.40E+00 -7.78E+00 -6.39E+00 -6.03E+00 1.24E-01 4.27E-01
-6.90E+00 -7.78E+00 -5.89E+00 -5.84E+00 8.15E-03 8.85E-02
-7.40E+00 -7.78E+00 -5.39E+00 -5.39E+00 2.85E-04 9.78E-03
-7.90E+00 -7.78E+00 -4.89E+00 -4.89E+00 9.12E-06 9.90E-04
-8.40E+00 -7.78E+00 -4.39E+00 -4.39E+00 2.89E-07 9.92E-05
-8.90E+00 -7.78E+00 -3.89E+00 -3.89E+00 9.14E-09 9.92E-06
-9.40E+00 -7.78E+00 -3.39E+00 -3.39E+00 2.89E-10 9.92E-07
-9.90E+00 -7.78E+00 -2.89E+00 -2.89E+00 9.14E-12 9.92E-08
 -1.04E+01 -7.78E+00 -2.39E+00 -2.39E+00 2.89E-13 9.92E-09
-1.09E+01 -7.78E+00 -1.89E+00 -1.89E+00 9.14E-15 9.92E-10
-1.14E+01 -7.78E+00 -1.39E+00 -1.39E+00 2.89E-16 9.92E-11
-1.19E+01 -7.78E+00 -8.93E-01 -8.93E-01 9.14E-18 9.92E-12
-1.24E+01 -7.78E+00 -3.93E-01 -3.93E-01 2.89E-19 9.92E-13
-1.29E+01 -7.78E+00 1.07E-01 1.07E-01 9.14E-21 9.92E-14
-1.34E+01 -7.78E+00 6.07E-01 6.07E-01 2.89E-22 9.92E-15
-1.39E+01 -7.78E+00 1.11E+00 1.11E+00 9.14E-24 9.92E-16

Log[FeOH(+a)] Log[FeO(a)] Log[HFeO2(-a)] Log[∑Fe(+2a)] %Fe(+2a) %FeOH(+a)

3.63E+00 -7.47E+00 -1.63E+01 1.29E+01 1.00E+00 4.85E-10
3.13E+00 -7.47E+00 -1.58E+01 1.19E+01 1.00E+00 1.53E-09
2.63E+00 -7.47E+00 -1.53E+01 1.09E+01 1.00E+00 4.85E-09
2.13E+00 -7.47E+00 -1.48E+01 9.94E+00 1.00E+00 1.53E-08
1.63E+00 -7.47E+00 -1.43E+01 8.94E+00 1.00E+00 4.85E-08
1.13E+00 -7.47E+00 -1.38E+01 7.94E+00 1.00E+00 1.53E-07
6.28E-01 -7.47E+00 -1.33E+01 6.94E+00 1.00E+00 4.85E-07
1.28E-01 -7.47E+00 -1.28E+01 5.94E+00 1.00E+00 1.53E-06
-3.72E-01 -7.47E+00 -1.23E+01 4.94E+00 1.00E+00 4.85E-06
-8.72E-01 -7.47E+00 -1.18E+01 3.94E+00 1.00E+00 1.53E-05
-1.37E+00 -7.47E+00 -1.13E+01 2.94E+00 1.00E+00 4.85E-05
-1.87E+00 -7.47E+00 -1.08E+01 1.94E+00 1.00E+00 1.53E-04
-2.37E+00 -7.47E+00 -1.03E+01 9.43E-01 1.00E+00 4.84E-04
-2.87E+00 -7.47E+00 -9.79E+00 -5.70E-02 9.98E-01 1.53E-03
-3.37E+00 -7.47E+00 -9.29E+00 -1.06E+00 9.95E-01 4.82E-03
-3.87E+00 -7.47E+00 -8.79E+00 -2.05E+00 9.85E-01 1.51E-02
-4.37E+00 -7.47E+00 -8.29E+00 -3.04E+00 9.54E-01 4.62E-02
-4.87E+00 -7.47E+00 -7.79E+00 -4.00E+00 8.67E-01 1.33E-01
-5.37E+00 -7.47E+00 -7.29E+00 -4.88E+00 6.69E-01 3.24E-01
-5.87E+00 -7.47E+00 -6.79E+00 -5.62E+00 3.63E-01 5.56E-01
-6.37E+00 -7.47E+00 -6.29E+00 -5.98E+00 8.30E-02 4.02E-01
-6.87E+00 -7.47E+00 -5.79E+00 -5.75E+00 4.90E-03 7.51E-02
-7.37E+00 -7.47E+00 -5.29E+00 -5.29E+00 1.69E-04 8.21E-03
-7.87E+00 -7.47E+00 -4.79E+00 -4.79E+00 5.42E-06 8.31E-04
-8.37E+00 -7.47E+00 -4.29E+00 -4.29E+00 1.72E-07 8.33E-05
-8.87E+00 -7.47E+00 -3.79E+00 -3.79E+00 5.44E-09 8.33E-06
-9.37E+00 -7.47E+00 -3.29E+00 -3.29E+00 1.72E-10 8.33E-07
-9.87E+00 -7.47E+00 -2.79E+00 -2.79E+00 5.44E-12 8.33E-08
-1.04E+01 -7.47E+00 -2.29E+00 -2.29E+00 1.72E-13 8.33E-09
-1.09E+01 -7.47E+00 -1.79E+00 -1.79E+00 5.44E-15 8.33E-10
-1.14E+01 -7.47E+00 -1.29E+00 -1.29E+00 1.72E-16 8.33E-11
-1.19E+01 -7.47E+00 -7.93E-01 -7.93E-01 5.44E-18 8.33E-12
-1.24E+01 -7.47E+00 -2.93E-01 -2.93E-01 1.72E-19 8.33E-13
-1.29E+01 -7.47E+00 2.07E-01 2.07E-01 5.44E-21 8.33E-14
 -1.34E+01 -7.47E+00 7.07E-01 7.07E-01 1.72E-22 8.33E-15
-1.39E+01 -7.47E+00 1.21E+00 1.21E+00 5.44E-24 8.33E-16
-1.44E+01 -7.47E+00 1.71E+00 1.71E+00 1.72E-25 8.33E-17

Log[FeOH(+a)] Log[FeO(a)] Log[HFeO2(-a)] Log[∑Fe(+2a)] %Fe(+2a) %FeOH(+a)

2.37E+00 -6.65E+00 -1.47E+01 9.97E+00 1.00E+00 2.54E-08
1.87E+00 -6.65E+00 -1.42E+01 8.97E+00 1.00E+00 8.02E-08
1.37E+00 -6.65E+00 -1.37E+01 7.97E+00 1.00E+00 2.54E-07
8.70E-01 -6.65E+00 -1.32E+01 6.97E+00 1.00E+00 8.02E-07
3.70E-01 -6.65E+00 -1.27E+01 5.97E+00 1.00E+00 2.54E-06
-1.30E-01 -6.65E+00 -1.22E+01 4.97E+00 1.00E+00 8.02E-06
-6.30E-01 -6.65E+00 -1.17E+01 3.97E+00 1.00E+00 2.54E-05
-1.13E+00 -6.65E+00 -1.12E+01 2.97E+00 1.00E+00 8.02E-05
-1.63E+00 -6.65E+00 -1.07E+01 1.97E+00 1.00E+00 2.54E-04
-2.13E+00 -6.65E+00 -1.02E+01 9.67E-01 9.99E-01 8.01E-04
-2.63E+00 -6.65E+00 -9.71E+00 -3.27E-02 9.97E-01 2.53E-03
-3.13E+00 -6.65E+00 -9.21E+00 -1.03E+00 9.92E-01 7.96E-03
-3.63E+00 -6.65E+00 -8.71E+00 -2.02E+00 9.75E-01 2.47E-02
-4.13E+00 -6.65E+00 -8.21E+00 -3.00E+00 9.26E-01 7.42E-02
-4.63E+00 -6.65E+00 -7.71E+00 -3.93E+00 7.96E-01 2.02E-01
-5.13E+00 -6.65E+00 -7.21E+00 -4.77E+00 5.46E-01 4.38E-01
-5.63E+00 -6.65E+00 -6.71E+00 -5.43E+00 2.51E-01 6.36E-01
-6.13E+00 -6.65E+00 -6.21E+00 -5.77E+00 5.51E-02 4.42E-01
-6.63E+00 -6.65E+00 -5.71E+00 -5.61E+00 3.80E-03 9.63E-02
-7.13E+00 -6.65E+00 -5.21E+00 -5.19E+00 1.42E-04 1.14E-02
-7.63E+00 -6.65E+00 -4.71E+00 -4.70E+00 4.64E-06 1.18E-03
-8.13E+00 -6.65E+00 -4.21E+00 -4.20E+00 1.48E-07 1.19E-04
-8.63E+00 -6.65E+00 -3.71E+00 -3.71E+00 4.69E-09 1.19E-05
-9.13E+00 -6.65E+00 -3.21E+00 -3.21E+00 1.49E-10 1.19E-06
-9.63E+00 -6.65E+00 -2.71E+00 -2.71E+00 4.70E-12 1.19E-07
-1.01E+01 -6.65E+00 -2.21E+00 -2.21E+00 1.49E-13 1.19E-08
-1.06E+01 -6.65E+00 -1.71E+00 -1.71E+00 4.70E-15 1.19E-09
-1.11E+01 -6.65E+00 -1.21E+00 -1.21E+00 1.49E-16 1.19E-10
-1.16E+01 -6.65E+00 -7.06E-01 -7.06E-01 4.70E-18 1.19E-11
-1.21E+01 -6.65E+00 -2.06E-01 -2.06E-01 1.49E-19 1.19E-12
-1.26E+01 -6.65E+00 2.94E-01 2.94E-01 4.70E-21 1.19E-13
-1.31E+01 -6.65E+00 7.94E-01 7.94E-01 1.49E-22 1.19E-14
-1.36E+01 -6.65E+00 1.29E+00 1.29E+00 4.70E-24 1.19E-15
-1.41E+01 -6.65E+00 1.79E+00 1.79E+00 1.49E-25 1.19E-16
-1.46E+01 -6.65E+00 2.29E+00 2.29E+00 4.70E-27 1.19E-17
-1.51E+01 -6.65E+00 2.79E+00 2.79E+00 1.49E-28 1.19E-18
-1.56E+01 -6.65E+00 3.29E+00 3.29E+00 4.70E-30 1.19E-19
 Fe+2
0.001

%FeO(a) %HFeO2(-a) Log%Fe(+2a) Log%FeOH(+a) Log%FeO(a) Log%HFeO2(-a)

1.43E-22 1.09E-31 -3.00E+00 -1.30E+01 -2.48E+01 -3.40E+01
1.43E-21 3.46E-30 -3.00E+00 -1.25E+01 -2.38E+01 -3.25E+01
2
1.43E-20 1.09E-28 -3.00E+00 -1.20E+01 -2.28E+01 -3.10E+01 0
1.43E-19 3.46E-27 -3.00E+00 -1.15E+01 -2.18E+01 -2.95E+01
-1
1.43E-18 1.09E-25 -3.00E+00 -1.10E+01 -2.08E+01 -2.80E+01
1.43E-17 3.46E-24 -3.00E+00 -1.05E+01 -1.98E+01 -2.65E+01 -2
1.43E-16 1.09E-22 -3.00E+00 -9.96E+00 -1.88E+01 -2.50E+01 -3
1.43E-15 3.46E-21 -3.00E+00 -9.46E+00 -1.78E+01 -2.35E+01

Log [Fe+2]
-4
1.43E-14 1.09E-19 -3.00E+00 -8.96E+00 -1.68E+01 -2.20E+01
1.43E-13 3.46E-18 -3.00E+00 -8.46E+00 -1.58E+01 -2.05E+01 -5
1.43E-12 1.09E-16 -3.00E+00 -7.96E+00 -1.48E+01 -1.90E+01 -6
1.43E-11 3.46E-15 -3.00E+00 -7.46E+00 -1.38E+01 -1.75E+01
-7
1.43E-10 1.09E-13 -3.00E+00 -6.96E+00 -1.28E+01 -1.60E+01
1.43E-09 3.46E-12 -3.00E+00 -6.46E+00 -1.18E+01 -1.45E+01 -8
1.43E-08 1.09E-10 -3.00E+00 -5.96E+00 -1.08E+01 -1.30E+01 -9
1.43E-07 3.45E-09 -3.00E+00 -5.47E+00 -9.85E+00 -1.15E+01
-10
1.42E-06 1.08E-07 -3.00E+00 -4.97E+00 -8.85E+00 -9.97E+00
1.38E-05 3.34E-06 -3.01E+00 -4.48E+00 -7.86E+00 -8.48E+00
1.29E-04 9.86E-05 -3.04E+00 -4.01E+00 -6.89E+00 -7.01E+00
1.06E-03 2.57E-03 -3.13E+00 -3.59E+00 -5.97E+00 -5.59E+00
6.48E-03 4.95E-02 -3.34E+00 -3.31E+00 -5.19E+00 -4.31E+00
1.78E-02 4.31E-01 -3.90E+00 -3.37E+00 -4.75E+00 -3.37E+00
1.17E-02 8.92E-01 -5.09E+00 -4.05E+00 -4.93E+00 -3.05E+00
4.08E-03 9.86E-01 -6.55E+00 -5.01E+00 -5.39E+00 -3.01E+00
1.31E-03 9.98E-01 -8.04E+00 -6.00E+00 -5.88E+00 -3.00E+00
4.14E-04 9.99E-01 -9.54E+00 -7.00E+00 -6.38E+00 -3.00E+00
1.31E-04 1.00E+00 -1.10E+01 -8.00E+00 -6.88E+00 -3.00E+00
4.14E-05 1.00E+00 -1.25E+01 -9.00E+00 -7.38E+00 -3.00E+00
1.31E-05 1.00E+00 -1.40E+01 -1.00E+01 -7.88E+00 -3.00E+00
 4.14E-06 1.00E+00 -1.55E+01 -1.10E+01 -8.38E+00 -3.00E+00
1.31E-06 1.00E+00 -1.70E+01 -1.20E+01 -8.88E+00 -3.00E+00
4.14E-07 1.00E+00 -1.85E+01 -1.30E+01 -9.38E+00 -3.00E+00
1.31E-07 1.00E+00 -2.00E+01 -1.40E+01 -9.88E+00 -3.00E+00
4.14E-08 1.00E+00 -2.15E+01 -1.50E+01 -1.04E+01 -3.00E+00
1.31E-08 1.00E+00 -2.30E+01 -1.60E+01 -1.09E+01 -3.00E+00
4.14E-09 1.00E+00 -2.45E+01 -1.70E+01 -1.14E+01 -3.00E+00
1.31E-09 1.00E+00 -2.60E+01 -1.80E+01 -1.19E+01 -3.00E+00

%FeO(a) %HFeO2(-a) LogFe(+2a) LogFeOH(+a) LogFeO(a) LogHFeO2(-a)

3.89E-21 5.82E-30 -3.00E+00 -1.23E+01 -2.34E+01 -3.22E+01
3.89E-20 1.84E-28 -3.00E+00 -1.18E+01 -2.24E+01 -3.07E+01
2
3.89E-19 5.82E-27 -3.00E+00 -1.13E+01 -2.14E+01 -2.92E+01 0
3.89E-18 1.84E-25 -3.00E+00 -1.08E+01 -2.04E+01 -2.77E+01
-1
3.89E-17 5.82E-24 -3.00E+00 -1.03E+01 -1.94E+01 -2.62E+01
3.89E-16 1.84E-22 -3.00E+00 -9.81E+00 -1.84E+01 -2.47E+01 -2
3.89E-15 5.82E-21 -3.00E+00 -9.31E+00 -1.74E+01 -2.32E+01 -3
3.89E-14 1.84E-19 -3.00E+00 -8.81E+00 -1.64E+01 -2.17E+01

Log [Fe+2]
-4
3.89E-13 5.82E-18 -3.00E+00 -8.31E+00 -1.54E+01 -2.02E+01
3.89E-12 1.84E-16 -3.00E+00 -7.81E+00 -1.44E+01 -1.87E+01 -5
3.89E-11 5.82E-15 -3.00E+00 -7.31E+00 -1.34E+01 -1.72E+01 -6
3.89E-10 1.84E-13 -3.00E+00 -6.81E+00 -1.24E+01 -1.57E+01
-7
3.89E-09 5.81E-12 -3.00E+00 -6.31E+00 -1.14E+01 -1.42E+01
3.88E-08 1.84E-10 -3.00E+00 -5.82E+00 -1.04E+01 -1.27E+01 -8
3.87E-07 5.79E-09 -3.00E+00 -5.32E+00 -9.41E+00 -1.12E+01 -9
3.83E-06 1.81E-07 -3.01E+00 -4.82E+00 -8.42E+00 -9.74E+00
-10
3.71E-05 5.55E-06 -3.02E+00 -4.34E+00 -7.43E+00 -8.26E+00
3.37E-04 1.59E-04 -3.06E+00 -3.88E+00 -6.47E+00 -6.80E+00
2.60E-03 3.89E-03 -3.17E+00 -3.49E+00 -5.58E+00 -5.41E+00
1.41E-02 6.67E-02 -3.44E+00 -3.25E+00 -4.85E+00 -4.18E+00
3.23E-02 4.83E-01 -4.08E+00 -3.40E+00 -4.49E+00 -3.32E+00
1.91E-02 9.01E-01 -5.31E+00 -4.12E+00 -4.72E+00 -3.05E+00
6.59E-03 9.85E-01 -6.77E+00 -5.09E+00 -5.18E+00 -3.01E+00
2.11E-03 9.97E-01 -8.27E+00 -6.08E+00 -5.68E+00 -3.00E+00
6.68E-04 9.99E-01 -9.76E+00 -7.08E+00 -6.18E+00 -3.00E+00
2.11E-04 1.00E+00 -1.13E+01 -8.08E+00 -6.67E+00 -3.00E+00
6.69E-05 1.00E+00 -1.28E+01 -9.08E+00 -7.17E+00 -3.00E+00
2.11E-05 1.00E+00 -1.43E+01 -1.01E+01 -7.67E+00 -3.00E+00
6.69E-06 1.00E+00 -1.58E+01 -1.11E+01 -8.17E+00 -3.00E+00
2.11E-06 1.00E+00 -1.73E+01 -1.21E+01 -8.67E+00 -3.00E+00
6.69E-07 1.00E+00 -1.88E+01 -1.31E+01 -9.17E+00 -3.00E+00
2.11E-07 1.00E+00 -2.03E+01 -1.41E+01 -9.67E+00 -3.00E+00
6.69E-08 1.00E+00 -2.18E+01 -1.51E+01 -1.02E+01 -3.00E+00
2.11E-08 1.00E+00 -2.33E+01 -1.61E+01 -1.07E+01 -3.00E+00
 6.69E-09 1.00E+00 -2.48E+01 -1.71E+01 -1.12E+01 -3.00E+00
2.11E-09 1.00E+00 -2.63E+01 -1.81E+01 -1.17E+01 -3.00E+00
6.69E-10 1.00E+00 -2.78E+01 -1.91E+01 -1.22E+01 -3.00E+00

%FeO(a) %HFeO2(-a) LogFe(+2a) LogFeOH(+a) LogFeO(a) LogHFeO2(-a)

2.41E-17 2.13E-25 -3.00E+00 -1.06E+01 -1.96E+01 -2.77E+01
2.41E-16 6.73E-24 -3.00E+00 -1.01E+01 -1.86E+01 -2.62E+01
2
2.41E-15 2.13E-22 -3.00E+00 -9.60E+00 -1.76E+01 -2.47E+01 0
2.41E-14 6.73E-21 -3.00E+00 -9.10E+00 -1.66E+01 -2.32E+01
-1
2.41E-13 2.13E-19 -3.00E+00 -8.60E+00 -1.56E+01 -2.17E+01
2.41E-12 6.73E-18 -3.00E+00 -8.10E+00 -1.46E+01 -2.02E+01 -2
2.41E-11 2.13E-16 -3.00E+00 -7.60E+00 -1.36E+01 -1.87E+01 -3
2.41E-10 6.73E-15 -3.00E+00 -7.10E+00 -1.26E+01 -1.72E+01

Log [Fe+2]
-4
2.41E-09 2.13E-13 -3.00E+00 -6.60E+00 -1.16E+01 -1.57E+01
2.41E-08 6.72E-12 -3.00E+00 -6.10E+00 -1.06E+01 -1.42E+01 -5
2.41E-07 2.12E-10 -3.00E+00 -5.60E+00 -9.62E+00 -1.27E+01 -6
2.39E-06 6.68E-09 -3.00E+00 -5.10E+00 -8.62E+00 -1.12E+01
-7
2.35E-05 2.08E-07 -3.01E+00 -4.61E+00 -7.63E+00 -9.68E+00
2.23E-04 6.23E-06 -3.03E+00 -4.13E+00 -6.65E+00 -8.21E+00 -8
1.92E-03 1.69E-04 -3.10E+00 -3.69E+00 -5.72E+00 -6.77E+00 -9
1.32E-02 3.67E-03 -3.26E+00 -3.36E+00 -4.88E+00 -5.44E+00
-10
6.05E-02 5.33E-02 -3.60E+00 -3.20E+00 -4.22E+00 -4.27E+00
1.33E-01 3.71E-01 -4.26E+00 -3.36E+00 -3.88E+00 -3.43E+00
9.16E-02 8.08E-01 -5.42E+00 -4.02E+00 -4.04E+00 -3.09E+00
3.42E-02 9.54E-01 -6.85E+00 -4.94E+00 -4.47E+00 -3.02E+00
1.12E-02 9.88E-01 -8.33E+00 -5.93E+00 -4.95E+00 -3.01E+00
3.57E-03 9.96E-01 -9.83E+00 -6.93E+00 -5.45E+00 -3.00E+00
1.13E-03 9.99E-01 -1.13E+01 -7.92E+00 -5.95E+00 -3.00E+00
3.58E-04 1.00E+00 -1.28E+01 -8.92E+00 -6.45E+00 -3.00E+00
1.13E-04 1.00E+00 -1.43E+01 -9.92E+00 -6.95E+00 -3.00E+00
3.59E-05 1.00E+00 -1.58E+01 -1.09E+01 -7.45E+00 -3.00E+00
1.13E-05 1.00E+00 -1.73E+01 -1.19E+01 -7.95E+00 -3.00E+00
3.59E-06 1.00E+00 -1.88E+01 -1.29E+01 -8.45E+00 -3.00E+00
1.13E-06 1.00E+00 -2.03E+01 -1.39E+01 -8.95E+00 -3.00E+00
3.59E-07 1.00E+00 -2.18E+01 -1.49E+01 -9.45E+00 -3.00E+00
1.13E-07 1.00E+00 -2.33E+01 -1.59E+01 -9.95E+00 -3.00E+00
3.59E-08 1.00E+00 -2.48E+01 -1.69E+01 -1.04E+01 -3.00E+00
1.13E-08 1.00E+00 -2.63E+01 -1.79E+01 -1.09E+01 -3.00E+00
3.59E-09 1.00E+00 -2.78E+01 -1.89E+01 -1.14E+01 -3.00E+00
1.13E-09 1.00E+00 -2.93E+01 -1.99E+01 -1.19E+01 -3.00E+00
3.59E-10 1.00E+00 -3.08E+01 -2.09E+01 -1.24E+01 -3.00E+00
1.13E-10 1.00E+00 -3.23E+01 -2.19E+01 -1.29E+01 -3.00E+00
 Solubilidad 5C
2 4 6 8 10 12 14 16 18
0

-1

-2
Fe(OH)2
-3
Log [Fe+2]

-4

-5

-6

-7

-8
Fe(+2a) FeOH(+a) HFeO2(-a)
-9

-10

pH

Log[Fe(+2a)] Log[FeOH(+a)] Log[FeO(a)] Log[HFeO2(-a )]

Log[∑Fe(+2a )] pH1=9.96 pH2=10.50
 Solubilidad 25C
2 4 6 8 10 12 14 16 18
0

-1

-2
Fe(OH)2
-3
Log [Fe+2]

-4

-5

-6

-7

-8 Fe(+2a) FeOH(+a) HFeO2(-a)

-9

-10

pH

Log[Fe(+2a )] Log[FeOH(+a)] Log[FeO(a)] Log[HFeO2(-a)]

Log[∑Fe(+2a)] pH1=9.31 pH2=9.96
 Solubilidad 95C
2 4 6 8 10 12 14 16 18
0

-1

-2
Fe(OH)2
-3
Log [Fe+2]

-4

-5

-6

-7

-8 Fe(+2a) FeOH(+a) HFeO2(-a)

-9

-10
pH

Log[Fe(+2a)] Log[FeOH(+a)] Log[FeO(a)] Log[HFeO2(-a )]

Log[∑Fe(+2a )] pH1=7.60 pH2=8.54
 Predominancia 5C
16 18 100%

90% Fe(+2a) FeOH(+a) HFeO2(-a)

80%

70%

60%
% Fe+2

50%

40%

30%

20%

10%

0%
2 4 6 8 10 12 14 16

pH
g[HFeO2(-a )]
%Fe(+2a) %FeOH(+a ) %FeO(a) %HFeO2(-a ) pH1=9.96 pH2=10.50
 Predominancia 25C
16 18 100%

90% Fe(+2a) FeOH(+a) HFeO2(-a)

80%

70%

60%
% Fe+2

50%

40%

30%

20%

10%

0%
2 4 6 8 10 12 14 16

pH
og[HFeO2(-a)]
%Fe(+2a) %FeOH(+a) %FeO(a) %HFeO2(-a) pH1=9.31 pH2=9.96
 Predominancia 95C
16 18 100%

90% Fe(+2a) HFeO2(-a)

FeOH(+a)
80%

70%

60%
% Fe+2

50%

40%

30%

20%

10%

0%
2 4 6 8 10 12 14 16

pH
g[HFeO2(-a )]
%Fe(+2a) %FeOH(+a) %FeO(a) %HFeO2(-a) pH1=7.60 pH2=8.54
 Bjerrum 5C
2 4 6 8 10 12 14
35
HFeO2(-a)
30 Fe(+2a) FeOH(+a) HFeO2(-a)

25

20
Log [Fe+2]

15

10

-5

-10
14 16 18
pH

Log%Fe(+2a) Log%FeOH(+a ) Log%FeO(a )

pH1=9.96 pH2=10.50 Log%HFeO2(-a) pH1=9.96 pH2=10.50
 Bjerrum 25C
2 4 6 8 10 12 14
35
HFeO2(-a)
30 Fe(+2a) FeOH(+a) HFeO2(-a)

25

20
Log [Fe+2]

15

10

-5

14 16 18 -10

pH

pH1=9.31 pH2=9.96 LogFe(+2a ) LogFeOH(+a) LogFeO(a) LogHFeO2(-a) pH1=9.31

 Bjerrum 95C
2 4 6 8 10 12 14
0
HFeO2(-a)
-1 Fe(+2a) FeOH(+a) HFeO2(-a)
-2

-3

-4
Log [Fe+2]

-5

-6

-7

-8

-9

14 16 18 -10

pH

pH1=7.60 pH2=8.54 LogFe(+2a ) LogFeOH(+a) LogFeO(a) LogHFeO2(-a) pH1=7.60

 12 14 16 18

HFeO2(-a)

a) Log%FeO(a )
pH2=10.50
 12 14 16 18

HFeO2(-a)

gHFeO2(-a) pH1=9.31 pH2=9.96

 12 14 16 18

HFeO2(-a)

gHFeO2(-a) pH1=7.60 pH2=8.54

 Reacciones
Fe(+2a) + CO2(a) + H2O = FeCO3 + 2H(+a)
Fe(+2a) + HCO3(-a) = FeCO3 + H(+a)
FeOH(+a) + HCO3(-a) = FeCO3 + H2O
HFeO2(-a) + HCO3(-a) + 2H(+a) = FeCO3 + 2H2O
HFeO2(-a) + CO3(-2a) + 3H(+a) = FeCO3 + 2H2O
k1 = [H(+a)]2/ [Fe(+2a)]*[CO2(a)]
k2 = [H(+a)] / [Fe(+2a)]*[HCO3(-a)]
k3 = 1 / [FeOH(+a)]*[HCO3(-a)]
k4 = 1 / [HFeO2(-a)]*[H(+a)]2*[HCO3(-a)]
k4 = 1 / [HFeO2(-a)]*[H(+a)]3*[CO3(-2a)]

∑[Fe(+2a)]= [Fe(+2a)] + [FeOH(+a)] + [FeO(a)] + [HFeO2(-a)]

[𝐹𝑒(+2𝑎)]𝐼= 𝐻^2/(𝑘1∗[𝐶𝑂2(𝑎)] ) [𝐹𝑒(+2𝑎)]𝐼𝐼=𝐻/(𝑘2∗[𝐻𝐶𝑂3(−𝑎)]) [𝐹𝑒𝑂𝐻(+𝑎)]= 1/(𝑘

pH [H(+a)] [Fe(+2a)] I [Fe(+2a)] II [FeOH(+a)] [HFeO2(-a)]I [HFeO2(-a)]II ∑Fe(+2a)

0 1.00E+00 1.30E+12 4.02E+05 4.37E-05 4.40E-26 1.49E-36 1.30E+12
0.5 3.16E-01 1.30E+11 1.27E+05 4.37E-05 4.40E-25 4.70E-35 1.30E+11
1 1.00E-01 1.30E+10 4.02E+04 4.37E-05 4.40E-24 1.49E-33 1.30E+10
1.5 3.16E-02 1.30E+09 1.27E+04 4.37E-05 4.40E-23 4.70E-32 1.30E+09
2 1.00E-02 1.30E+08 4.02E+03 4.37E-05 4.40E-22 1.49E-30 1.30E+08
2.5 3.16E-03 1.30E+07 1.27E+03 4.37E-05 4.40E-21 4.70E-29 1.30E+07
3 1.00E-03 1.30E+06 4.02E+02 4.37E-05 4.40E-20 1.49E-27 1.30E+06
3.5 3.16E-04 1.30E+05 1.27E+02 4.37E-05 4.40E-19 4.70E-26 1.30E+05
4 1.00E-04 1.30E+04 4.02E+01 4.37E-05 4.40E-18 1.49E-24 1.30E+04
4.5 3.16E-05 1.30E+03 1.27E+01 4.37E-05 4.40E-17 4.70E-23 1.31E+03
5 1.00E-05 1.30E+02 4.02E+00 4.37E-05 4.40E-16 1.49E-21 1.34E+02
5.5 3.16E-06 1.30E+01 1.27E+00 4.37E-05 4.40E-15 4.70E-20 1.43E+01
6 1.00E-06 1.30E+00 4.02E-01 4.37E-05 4.40E-14 1.49E-18 1.70E+00
6.5 3.16E-07 1.30E-01 1.27E-01 4.37E-05 4.40E-13 4.70E-17 2.57E-01
7 1.00E-07 1.30E-02 4.02E-02 4.37E-05 4.40E-12 1.49E-15 5.33E-02
7.5 3.16E-08 1.30E-03 1.27E-02 4.37E-05 4.40E-11 4.70E-14 1.41E-02
8 1.00E-08 1.30E-04 4.02E-03 4.37E-05 4.40E-10 1.49E-12 4.20E-03
8.5 3.16E-09 1.30E-05 1.27E-03 4.37E-05 4.40E-09 4.70E-11 1.33E-03
9 1.00E-09 1.30E-06 4.02E-04 4.37E-05 4.40E-08 1.49E-09 4.47E-04
9.5 3.16E-10 1.30E-07 1.27E-04 4.37E-05 4.40E-07 4.70E-08 1.72E-04
10 1.00E-10 1.30E-08 4.02E-05 4.37E-05 4.40E-06 1.49E-06 8.98E-05
10.5 3.16E-11 1.30E-09 1.27E-05 4.37E-05 4.40E-05 4.70E-05 1.47E-04
11 1.00E-11 1.30E-10 4.02E-06 4.37E-05 4.40E-04 1.49E-03 1.98E-03
11.5 3.16E-12 1.30E-11 1.27E-06 4.37E-05 4.40E-03 4.70E-02 5.15E-02
12 1.00E-12 1.30E-12 4.02E-07 4.37E-05 4.40E-02 1.49E+00 1.53E+00
12.5 3.16E-13 1.30E-13 1.27E-07 4.37E-05 4.40E-01 4.70E+01 4.75E+01
13 1.00E-13 1.30E-14 4.02E-08 4.37E-05 4.40E+00 1.49E+03 1.49E+03
13.5 3.16E-14 1.30E-15 1.27E-08 4.37E-05 4.40E+01 4.70E+04 4.71E+04
 14 1.00E-14 1.30E-16 4.02E-09 4.37E-05 4.40E+02 1.49E+06 1.49E+06
14.5 3.16E-15 1.30E-17 1.27E-09 4.37E-05 4.40E+03 4.70E+07 4.70E+07
15 1.00E-15 1.30E-18 4.02E-10 4.37E-05 4.40E+04 1.49E+09 1.49E+09
15.5 3.16E-16 1.30E-19 1.27E-10 4.37E-05 4.40E+05 4.70E+10 4.70E+10
16 1.00E-16 1.30E-20 4.02E-11 4.37E-05 4.40E+06 1.49E+12 1.49E+12
16.5 3.16E-17 1.30E-21 1.27E-11 4.37E-05 4.40E+07 4.70E+13 4.70E+13
17 1.00E-17 1.30E-22 4.02E-12 4.37E-05 4.40E+08 1.49E+15 1.49E+15
17.5 3.16E-18 1.30E-23 1.27E-12 4.37E-05 4.40E+09 4.70E+16 4.70E+16
18 1.00E-18 1.30E-24 4.02E-13 4.37E-05 4.40E+10 1.49E+18 1.49E+18

pH [H(+a)] [Fe(+2a)] I [Fe(+2a)] II [FeOH(+a)] [HFeO2(-a)]I [HFeO2(-a)]II ∑Fe(+2a)

0 1.00E+00 3.23E+11 1.11E+05 5.36E-05 6.44E-25 6.44E-25 3.23E+11
0.5 3.16E-01 3.23E+10 3.50E+04 5.36E-05 6.44E-24 2.04E-23 3.23E+10
1 1.00E-01 3.23E+09 1.11E+04 5.36E-05 6.44E-23 6.44E-22 3.23E+09
1.5 3.16E-02 3.23E+08 3.50E+03 5.36E-05 6.44E-22 2.04E-20 3.23E+08
2 1.00E-02 3.23E+07 1.11E+03 5.36E-05 6.44E-21 6.44E-19 3.23E+07
2.5 3.16E-03 3.23E+06 3.50E+02 5.36E-05 6.44E-20 2.04E-17 3.23E+06
3 1.00E-03 3.23E+05 1.11E+02 5.36E-05 6.44E-19 6.44E-16 3.23E+05
3.5 3.16E-04 3.23E+04 3.50E+01 5.36E-05 6.44E-18 2.04E-14 3.23E+04
4 1.00E-04 3.23E+03 1.11E+01 5.36E-05 6.44E-17 6.44E-13 3.24E+03
4.5 3.16E-05 3.23E+02 3.50E+00 5.36E-05 6.44E-16 2.04E-11 3.26E+02
5 1.00E-05 3.23E+01 1.11E+00 5.36E-05 6.44E-15 6.44E-10 3.34E+01
5.5 3.16E-06 3.23E+00 3.50E-01 5.36E-05 6.44E-14 2.04E-08 3.58E+00
6 1.00E-06 3.23E-01 1.11E-01 5.36E-05 6.44E-13 6.44E-07 4.33E-01
6.5 3.16E-07 3.23E-02 3.50E-02 5.36E-05 6.44E-12 2.04E-05 6.73E-02
7 1.00E-07 3.23E-03 1.11E-02 5.36E-05 6.44E-11 6.44E-04 1.50E-02
7.5 3.16E-08 3.23E-04 3.50E-03 5.36E-05 6.44E-10 2.04E-02 2.42E-02
8 1.00E-08 3.23E-05 1.11E-03 5.36E-05 6.44E-09 6.44E-01 6.45E-01
8.5 3.16E-09 3.23E-06 3.50E-04 5.36E-05 6.44E-08 2.04E+01 2.04E+01
9 1.00E-09 3.23E-07 1.11E-04 5.36E-05 6.44E-07 6.44E+02 6.44E+02
9.5 3.16E-10 3.23E-08 3.50E-05 5.36E-05 6.44E-06 2.04E+04 2.04E+04
10 1.00E-10 3.23E-09 1.11E-05 5.36E-05 6.44E-05 6.44E+05 6.44E+05
10.5 3.16E-11 3.23E-10 3.50E-06 5.36E-05 6.44E-04 2.04E+07 2.04E+07
11 1.00E-11 3.23E-11 1.11E-06 5.36E-05 6.44E-03 6.44E+08 6.44E+08
11.5 3.16E-12 3.23E-12 3.50E-07 5.36E-05 6.44E-02 2.04E+10 2.04E+10
12 1.00E-12 3.23E-13 1.11E-07 5.36E-05 6.44E-01 6.44E+11 6.44E+11
12.5 3.16E-13 3.23E-14 3.50E-08 5.36E-05 6.44E+00 2.04E+13 2.04E+13
13 1.00E-13 3.23E-15 1.11E-08 5.36E-05 6.44E+01 6.44E+14 6.44E+14
13.5 3.16E-14 3.23E-16 3.50E-09 5.36E-05 6.44E+02 2.04E+16 2.04E+16
14 1.00E-14 3.23E-17 1.11E-09 5.36E-05 6.44E+03 6.44E+17 6.44E+17
14.5 3.16E-15 3.23E-18 3.50E-10 5.36E-05 6.44E+04 2.04E+19 2.04E+19
15 1.00E-15 3.23E-19 1.11E-10 5.36E-05 6.44E+05 6.44E+20 6.44E+20
15.5 3.16E-16 3.23E-20 3.50E-11 5.36E-05 6.44E+06 2.04E+22 2.04E+22
16 1.00E-16 3.23E-21 1.11E-11 5.36E-05 6.44E+07 6.44E+23 6.44E+23
16.5 3.16E-17 3.23E-22 3.50E-12 5.36E-05 6.44E+08 2.04E+25 2.04E+25
17 1.00E-17 3.23E-23 1.11E-12 5.36E-05 6.44E+09 6.44E+26 6.44E+26
17.5 3.16E-18 3.23E-24 3.50E-13 5.36E-05 6.44E+10 2.04E+28 2.04E+28
18 1.00E-18 3.23E-25 1.11E-13 5.36E-05 6.44E+11 6.44E+29 6.44E+29

pH [H(+a)] [Fe(+2a)] I [Fe(+2a)] II [FeOH(+a)] [HFeO2(-a)]I [HFeO2(-a)]II ∑Fe(+2a)

0 1.00E+00 8.07E+09 3.64E+03 9.23E-05 6.44E-25 7.75E-22 8.07E+09
0.5 3.16E-01 8.07E+08 1.15E+03 9.23E-05 6.44E-24 2.45E-20 8.07E+08
1 1.00E-01 8.07E+07 3.64E+02 9.23E-05 6.44E-23 7.75E-19 8.07E+07
1.5 3.16E-02 8.07E+06 1.15E+02 9.23E-05 6.44E-22 2.45E-17 8.07E+06
2 1.00E-02 8.07E+05 3.64E+01 9.23E-05 6.44E-21 7.75E-16 8.08E+05
2.5 3.16E-03 8.07E+04 1.15E+01 9.23E-05 6.44E-20 2.45E-14 8.08E+04
3 1.00E-03 8.07E+03 3.64E+00 9.23E-05 6.44E-19 7.75E-13 8.08E+03
3.5 3.16E-04 8.07E+02 1.15E+00 9.23E-05 6.44E-18 2.45E-11 8.09E+02
4 1.00E-04 8.07E+01 3.64E-01 9.23E-05 6.44E-17 7.75E-10 8.11E+01
4.5 3.16E-05 8.07E+00 1.15E-01 9.23E-05 6.44E-16 2.45E-08 8.19E+00
5 1.00E-05 8.07E-01 3.64E-02 9.23E-05 6.44E-15 7.75E-07 8.44E-01
5.5 3.16E-06 8.07E-02 1.15E-02 9.23E-05 6.44E-14 2.45E-05 9.24E-02
6 1.00E-06 8.07E-03 3.64E-03 9.23E-05 6.44E-13 7.75E-04 1.26E-02
6.5 3.16E-07 8.07E-04 1.15E-03 9.23E-05 6.44E-12 2.45E-02 2.66E-02
7 1.00E-07 8.07E-05 3.64E-04 9.23E-05 6.44E-11 7.75E-01 7.75E-01
7.5 3.16E-08 8.07E-06 1.15E-04 9.23E-05 6.44E-10 2.45E+01 2.45E+01
8 1.00E-08 8.07E-07 3.64E-05 9.23E-05 6.44E-09 7.75E+02 7.75E+02
8.5 3.16E-09 8.07E-08 1.15E-05 9.23E-05 6.44E-08 2.45E+04 2.45E+04
9 1.00E-09 8.07E-09 3.64E-06 9.23E-05 6.44E-07 7.75E+05 7.75E+05
9.5 3.16E-10 8.07E-10 1.15E-06 9.23E-05 6.44E-06 2.45E+07 2.45E+07
10 1.00E-10 8.07E-11 3.64E-07 9.23E-05 6.44E-05 7.75E+08 7.75E+08
10.5 3.16E-11 8.07E-12 1.15E-07 9.23E-05 6.44E-04 2.45E+10 2.45E+10
11 1.00E-11 8.07E-13 3.64E-08 9.23E-05 6.44E-03 7.75E+11 7.75E+11
11.5 3.16E-12 8.07E-14 1.15E-08 9.23E-05 6.44E-02 2.45E+13 2.45E+13
12 1.00E-12 8.07E-15 3.64E-09 9.23E-05 6.44E-01 7.75E+14 7.75E+14
12.5 3.16E-13 8.07E-16 1.15E-09 9.23E-05 6.44E+00 2.45E+16 2.45E+16
13 1.00E-13 8.07E-17 3.64E-10 9.23E-05 6.44E+01 7.75E+17 7.75E+17
13.5 3.16E-14 8.07E-18 1.15E-10 9.23E-05 6.44E+02 2.45E+19 2.45E+19
14 1.00E-14 8.07E-19 3.64E-11 9.23E-05 6.44E+03 7.75E+20 7.75E+20
14.5 3.16E-15 8.07E-20 1.15E-11 9.23E-05 6.44E+04 2.45E+22 2.45E+22
15 1.00E-15 8.07E-21 3.64E-12 9.23E-05 6.44E+05 7.75E+23 7.75E+23
15.5 3.16E-16 8.07E-22 1.15E-12 9.23E-05 6.44E+06 2.45E+25 2.45E+25
16 1.00E-16 8.07E-23 3.64E-13 9.23E-05 6.44E+07 7.75E+26 7.75E+26
16.5 3.16E-17 8.07E-24 1.15E-13 9.23E-05 6.44E+08 2.45E+28 2.45E+28
17 1.00E-17 8.07E-25 3.64E-14 9.23E-05 6.44E+09 7.75E+29 7.75E+29
17.5 3.16E-18 8.07E-26 1.15E-14 9.23E-05 6.44E+10 2.45E+31 2.45E+31
18 1.00E-18 8.07E-27 3.64E-15 9.23E-05 6.44E+11 7.75E+32 7.75E+32
 k\T 278.15 298.15 368.15
e(+2a)]*[CO2(a)] k1 7.69E-10 3.10E-09 1.24E-07
(+2a)]*[HCO3(-a)] k2 2.48E-03 9.04E-03 2.75E-01
a)]*[HCO3(-a)] k3 2.29E+07 1.86E+07 1.08E+07
-a)]*[H(+a)]2*[HCO3(-a)] k4 2.27E+28 1.55E+27 1.29E+24
-a)]*[H(+a)]3*[CO3(-2a)] k5 6.72E+38 3.45E+37 1.34E+34

[𝐹𝑒𝑂𝐻(+𝑎)]= 1/(𝑘3∗[𝐻𝐶𝑂3(−𝑎)]) [𝐻𝐹𝑒𝑂2(−𝑎)]𝐼= 1/(𝑘4∗𝐻^2∗[𝐻𝐶𝑂3(−𝑎)])

Log[Fe(+2a)] I Log[Fe(+2a)] II Log[FeOH(+a)] Log[HFeO2(-a)]I Log[HFeO2(-a)]II Log[∑Fe(+2a)]

1.21E+01 5.60E+00 -4.36E+00 -2.54E+01 -3.58E+01 1.21E+01
1.11E+01 5.10E+00 -4.36E+00 -2.44E+01 -3.43E+01 1.11E+01
1.01E+01 4.60E+00 -4.36E+00 -2.34E+01 -3.28E+01 1.01E+01
9.11E+00 4.10E+00 -4.36E+00 -2.24E+01 -3.13E+01 9.11E+00
8.11E+00 3.60E+00 -4.36E+00 -2.14E+01 -2.98E+01 8.11E+00
7.11E+00 3.10E+00 -4.36E+00 -2.04E+01 -2.83E+01 7.11E+00
6.11E+00 2.60E+00 -4.36E+00 -1.94E+01 -2.68E+01 6.11E+00
5.11E+00 2.10E+00 -4.36E+00 -1.84E+01 -2.53E+01 5.11E+00
4.11E+00 1.60E+00 -4.36E+00 -1.74E+01 -2.38E+01 4.12E+00
3.11E+00 1.10E+00 -4.36E+00 -1.64E+01 -2.23E+01 3.12E+00
2.11E+00 6.05E-01 -4.36E+00 -1.54E+01 -2.08E+01 2.13E+00
1.11E+00 1.05E-01 -4.36E+00 -1.44E+01 -1.93E+01 1.15E+00
1.14E-01 -3.95E-01 -4.36E+00 -1.34E+01 -1.78E+01 2.31E-01
-8.86E-01 -8.95E-01 -4.36E+00 -1.24E+01 -1.63E+01 -5.89E-01
-1.89E+00 -1.40E+00 -4.36E+00 -1.14E+01 -1.48E+01 -1.27E+00
-2.89E+00 -1.90E+00 -4.36E+00 -1.04E+01 -1.33E+01 -1.85E+00
-3.89E+00 -2.40E+00 -4.36E+00 -9.36E+00 -1.18E+01 -2.38E+00
-4.89E+00 -2.90E+00 -4.36E+00 -8.36E+00 -1.03E+01 -2.88E+00
-5.89E+00 -3.40E+00 -4.36E+00 -7.36E+00 -8.83E+00 -3.35E+00
-6.89E+00 -3.90E+00 -4.36E+00 -6.36E+00 -7.33E+00 -3.77E+00
-7.89E+00 -4.40E+00 -4.36E+00 -5.36E+00 -5.83E+00 -4.05E+00
-8.89E+00 -4.90E+00 -4.36E+00 -4.36E+00 -4.33E+00 -3.83E+00
-9.89E+00 -5.40E+00 -4.36E+00 -3.36E+00 -2.83E+00 -2.70E+00
-1.09E+01 -5.90E+00 -4.36E+00 -2.36E+00 -1.33E+00 -1.29E+00
-1.19E+01 -6.40E+00 -4.36E+00 -1.36E+00 1.72E-01 1.85E-01
-1.29E+01 -6.90E+00 -4.36E+00 -3.56E-01 1.67E+00 1.68E+00
-1.39E+01 -7.40E+00 -4.36E+00 6.44E-01 3.17E+00 3.17E+00
-1.49E+01 -7.90E+00 -4.36E+00 1.64E+00 4.67E+00 4.67E+00
 -1.59E+01 -8.40E+00 -4.36E+00 2.64E+00 6.17E+00 6.17E+00
-1.69E+01 -8.90E+00 -4.36E+00 3.64E+00 7.67E+00 7.67E+00
-1.79E+01 -9.40E+00 -4.36E+00 4.64E+00 9.17E+00 9.17E+00
-1.89E+01 -9.90E+00 -4.36E+00 5.64E+00 1.07E+01 1.07E+01
-1.99E+01 -1.04E+01 -4.36E+00 6.64E+00 1.22E+01 1.22E+01
-2.09E+01 -1.09E+01 -4.36E+00 7.64E+00 1.37E+01 1.37E+01
-2.19E+01 -1.14E+01 -4.36E+00 8.64E+00 1.52E+01 1.52E+01
-2.29E+01 -1.19E+01 -4.36E+00 9.64E+00 1.67E+01 1.67E+01
-2.39E+01 -1.24E+01 -4.36E+00 1.06E+01 1.82E+01 1.82E+01

Log[Fe(+2a)] I Log[Fe(+2a)] II Log[FeOH(+a)] Log[HFeO2(-a)]I Log[HFeO2(-a)]II Log[∑Fe(+2a)]

1.15E+01 5.04E+00 -4.27E+00 -2.42E+01 -2.42E+01 1.15E+01
1.05E+01 4.54E+00 -4.27E+00 -2.32E+01 -2.27E+01 1.05E+01
9.51E+00 4.04E+00 -4.27E+00 -2.22E+01 -2.12E+01 9.51E+00
8.51E+00 3.54E+00 -4.27E+00 -2.12E+01 -1.97E+01 8.51E+00
7.51E+00 3.04E+00 -4.27E+00 -2.02E+01 -1.82E+01 7.51E+00
6.51E+00 2.54E+00 -4.27E+00 -1.92E+01 -1.67E+01 6.51E+00
5.51E+00 2.04E+00 -4.27E+00 -1.82E+01 -1.52E+01 5.51E+00
4.51E+00 1.54E+00 -4.27E+00 -1.72E+01 -1.37E+01 4.51E+00
3.51E+00 1.04E+00 -4.27E+00 -1.62E+01 -1.22E+01 3.51E+00
2.51E+00 5.44E-01 -4.27E+00 -1.52E+01 -1.07E+01 2.51E+00
1.51E+00 4.40E-02 -4.27E+00 -1.42E+01 -9.19E+00 1.52E+00
5.09E-01 -4.56E-01 -4.27E+00 -1.32E+01 -7.69E+00 5.53E-01
-4.91E-01 -9.56E-01 -4.27E+00 -1.22E+01 -6.19E+00 -3.63E-01
-1.49E+00 -1.46E+00 -4.27E+00 -1.12E+01 -4.69E+00 -1.17E+00
-2.49E+00 -1.96E+00 -4.27E+00 -1.02E+01 -3.19E+00 -1.82E+00
-3.49E+00 -2.46E+00 -4.27E+00 -9.19E+00 -1.69E+00 -1.62E+00
-4.49E+00 -2.96E+00 -4.27E+00 -8.19E+00 -1.91E-01 -1.91E-01
-5.49E+00 -3.46E+00 -4.27E+00 -7.19E+00 1.31E+00 1.31E+00
-6.49E+00 -3.96E+00 -4.27E+00 -6.19E+00 2.81E+00 2.81E+00
-7.49E+00 -4.46E+00 -4.27E+00 -5.19E+00 4.31E+00 4.31E+00
-8.49E+00 -4.96E+00 -4.27E+00 -4.19E+00 5.81E+00 5.81E+00
-9.49E+00 -5.46E+00 -4.27E+00 -3.19E+00 7.31E+00 7.31E+00
-1.05E+01 -5.96E+00 -4.27E+00 -2.19E+00 8.81E+00 8.81E+00
-1.15E+01 -6.46E+00 -4.27E+00 -1.19E+00 1.03E+01 1.03E+01
-1.25E+01 -6.96E+00 -4.27E+00 -1.91E-01 1.18E+01 1.18E+01
-1.35E+01 -7.46E+00 -4.27E+00 8.09E-01 1.33E+01 1.33E+01
-1.45E+01 -7.96E+00 -4.27E+00 1.81E+00 1.48E+01 1.48E+01
-1.55E+01 -8.46E+00 -4.27E+00 2.81E+00 1.63E+01 1.63E+01
-1.65E+01 -8.96E+00 -4.27E+00 3.81E+00 1.78E+01 1.78E+01
-1.75E+01 -9.46E+00 -4.27E+00 4.81E+00 1.93E+01 1.93E+01
-1.85E+01 -9.96E+00 -4.27E+00 5.81E+00 2.08E+01 2.08E+01
-1.95E+01 -1.05E+01 -4.27E+00 6.81E+00 2.23E+01 2.23E+01
-2.05E+01 -1.10E+01 -4.27E+00 7.81E+00 2.38E+01 2.38E+01
 -2.15E+01 -1.15E+01 -4.27E+00 8.81E+00 2.53E+01 2.53E+01
-2.25E+01 -1.20E+01 -4.27E+00 9.81E+00 2.68E+01 2.68E+01
-2.35E+01 -1.25E+01 -4.27E+00 1.08E+01 2.83E+01 2.83E+01
-2.45E+01 -1.30E+01 -4.27E+00 1.18E+01 2.98E+01 2.98E+01

Log[Fe(+2a)] I Log[Fe(+2a)] II Log[FeOH(+a)] Log[HFeO2(-a)]I Log[HFeO2(-a)]II Log[∑Fe(+2a)]

9.91E+00 3.56E+00 -4.03E+00 -2.42E+01 -2.11E+01 9.91E+00
8.91E+00 3.06E+00 -4.03E+00 -2.32E+01 -1.96E+01 8.91E+00
7.91E+00 2.56E+00 -4.03E+00 -2.22E+01 -1.81E+01 7.91E+00
6.91E+00 2.06E+00 -4.03E+00 -2.12E+01 -1.66E+01 6.91E+00
5.91E+00 1.56E+00 -4.03E+00 -2.02E+01 -1.51E+01 5.91E+00
4.91E+00 1.06E+00 -4.03E+00 -1.92E+01 -1.36E+01 4.91E+00
3.91E+00 5.61E-01 -4.03E+00 -1.82E+01 -1.21E+01 3.91E+00
2.91E+00 6.12E-02 -4.03E+00 -1.72E+01 -1.06E+01 2.91E+00
1.91E+00 -4.39E-01 -4.03E+00 -1.62E+01 -9.11E+00 1.91E+00
9.07E-01 -9.39E-01 -4.03E+00 -1.52E+01 -7.61E+00 9.13E-01
-9.29E-02 -1.44E+00 -4.03E+00 -1.42E+01 -6.11E+00 -7.37E-02
-1.09E+00 -1.94E+00 -4.03E+00 -1.32E+01 -4.61E+00 -1.03E+00
-2.09E+00 -2.44E+00 -4.03E+00 -1.22E+01 -3.11E+00 -1.90E+00
-3.09E+00 -2.94E+00 -4.03E+00 -1.12E+01 -1.61E+00 -1.58E+00
-4.09E+00 -3.44E+00 -4.03E+00 -1.02E+01 -1.11E-01 -1.11E-01
-5.09E+00 -3.94E+00 -4.03E+00 -9.19E+00 1.39E+00 1.39E+00
-6.09E+00 -4.44E+00 -4.03E+00 -8.19E+00 2.89E+00 2.89E+00
-7.09E+00 -4.94E+00 -4.03E+00 -7.19E+00 4.39E+00 4.39E+00
-8.09E+00 -5.44E+00 -4.03E+00 -6.19E+00 5.89E+00 5.89E+00
-9.09E+00 -5.94E+00 -4.03E+00 -5.19E+00 7.39E+00 7.39E+00
-1.01E+01 -6.44E+00 -4.03E+00 -4.19E+00 8.89E+00 8.89E+00
-1.11E+01 -6.94E+00 -4.03E+00 -3.19E+00 1.04E+01 1.04E+01
-1.21E+01 -7.44E+00 -4.03E+00 -2.19E+00 1.19E+01 1.19E+01
-1.31E+01 -7.94E+00 -4.03E+00 -1.19E+00 1.34E+01 1.34E+01
-1.41E+01 -8.44E+00 -4.03E+00 -1.91E-01 1.49E+01 1.49E+01
-1.51E+01 -8.94E+00 -4.03E+00 8.09E-01 1.64E+01 1.64E+01
-1.61E+01 -9.44E+00 -4.03E+00 1.81E+00 1.79E+01 1.79E+01
-1.71E+01 -9.94E+00 -4.03E+00 2.81E+00 1.94E+01 1.94E+01
-1.81E+01 -1.04E+01 -4.03E+00 3.81E+00 2.09E+01 2.09E+01
-1.91E+01 -1.09E+01 -4.03E+00 4.81E+00 2.24E+01 2.24E+01
-2.01E+01 -1.14E+01 -4.03E+00 5.81E+00 2.39E+01 2.39E+01
-2.11E+01 -1.19E+01 -4.03E+00 6.81E+00 2.54E+01 2.54E+01
-2.21E+01 -1.24E+01 -4.03E+00 7.81E+00 2.69E+01 2.69E+01
-2.31E+01 -1.29E+01 -4.03E+00 8.81E+00 2.84E+01 2.84E+01
-2.41E+01 -1.34E+01 -4.03E+00 9.81E+00 2.99E+01 2.99E+01
-2.51E+01 -1.39E+01 -4.03E+00 1.08E+01 3.14E+01 3.14E+01
-2.61E+01 -1.44E+01 -4.03E+00 1.18E+01 3.29E+01 3.29E+01
 Fe+2
0.001

CO2(a)
0.001

𝐻^2∗[𝐻𝐶𝑂3(−𝑎)]) [𝐻𝐹𝑒𝑂2(−𝑎)]𝐼𝐼= 1/(𝑘4∗𝐻^3∗[𝐶𝑂3(−2𝑎)])

%[Fe(+2a)] I %[Fe(+2a)] II %[FeOH(+a)] %[HFeO2(-a)]I %[HFeO2(-a)]II Log%Fe(+2a) I

1.00E+00 3.09E-07 3.36E-17 3.38E-38 1.14E-48 -3.00E+00
1.00E+00 9.78E-07 3.36E-16 3.38E-36 3.62E-46 -3.00E+00
1.00E+00 3.09E-06 3.36E-15 3.38E-34 1.14E-43 -3.00E+00
1.00E+00 9.78E-06 3.36E-14 3.38E-32 3.62E-41 -3.00E+00
1.00E+00 3.09E-05 3.36E-13 3.38E-30 1.14E-38 -3.00E+00
1.00E+00 9.78E-05 3.36E-12 3.38E-28 3.61E-36 -3.00E+00
1.00E+00 3.09E-04 3.36E-11 3.38E-26 1.14E-33 -3.00E+00
9.99E-01 9.77E-04 3.35E-10 3.38E-24 3.61E-31 -3.00E+00
9.97E-01 3.08E-03 3.35E-09 3.37E-22 1.14E-28 -3.00E+00
9.90E-01 9.69E-03 3.32E-08 3.35E-20 3.58E-26 -3.00E+00
9.70E-01 3.00E-02 3.26E-07 3.28E-18 1.11E-23 -3.01E+00
9.11E-01 8.91E-02 3.06E-06 3.08E-16 3.29E-21 -3.04E+00
7.64E-01 2.36E-01 2.56E-05 2.58E-14 8.73E-19 -3.12E+00
5.05E-01 4.94E-01 1.70E-04 1.71E-12 1.83E-16 -3.30E+00
2.44E-01 7.55E-01 8.19E-04 8.26E-11 2.79E-14 -3.61E+00
9.24E-02 9.04E-01 3.10E-03 3.13E-09 3.34E-12 -4.03E+00
3.10E-02 9.59E-01 1.04E-02 1.05E-07 3.54E-10 -4.51E+00
9.79E-03 9.57E-01 3.29E-02 3.31E-06 3.54E-08 -5.01E+00
2.91E-03 8.99E-01 9.76E-02 9.84E-05 3.32E-06 -5.54E+00
7.58E-04 7.42E-01 2.55E-01 2.57E-03 2.74E-04 -6.12E+00
1.45E-04 4.48E-01 4.86E-01 4.90E-02 1.66E-02 -6.84E+00
8.82E-06 8.63E-02 2.96E-01 2.99E-01 3.19E-01 -8.05E+00
6.59E-08 2.04E-03 2.21E-02 2.23E-01 7.53E-01 -1.02E+01
2.53E-10 2.47E-05 8.48E-04 8.55E-02 9.14E-01 -1.26E+01
8.50E-13 2.63E-07 2.85E-05 2.87E-02 9.71E-01 -1.51E+01
2.74E-15 2.68E-09 9.20E-07 9.27E-03 9.91E-01 -1.76E+01
8.72E-18 2.70E-11 2.93E-08 2.95E-03 9.97E-01 -2.01E+01
2.76E-20 2.70E-13 9.28E-10 9.35E-04 9.99E-01 -2.26E+01
 8.74E-23 2.71E-15 2.94E-11 2.96E-04 1.00E+00 -2.51E+01
2.77E-25 2.71E-17 9.29E-13 9.36E-05 1.00E+00 -2.76E+01
8.75E-28 2.71E-19 2.94E-14 2.96E-05 1.00E+00 -3.01E+01
2.77E-30 2.71E-21 9.29E-16 9.36E-06 1.00E+00 -3.26E+01
8.75E-33 2.71E-23 2.94E-17 2.96E-06 1.00E+00 -3.51E+01
2.77E-35 2.71E-25 9.29E-19 9.36E-07 1.00E+00 -3.76E+01
8.75E-38 2.71E-27 2.94E-20 2.96E-07 1.00E+00 -4.01E+01
2.77E-40 2.71E-29 9.29E-22 9.36E-08 1.00E+00 -4.26E+01
8.75E-43 2.71E-31 2.94E-23 2.96E-08 1.00E+00 -4.51E+01

%[Fe(+2a)] I %[Fe(+2a)] II %[FeOH(+a)] %[HFeO2(-a)]I %[HFeO2(-a)]II Log%Fe(+2a) I

1.00E+00 3.43E-07 1.66E-16 2.00E-36 2.00E-36 -3.00E+00
1.00E+00 1.08E-06 1.66E-15 2.00E-34 6.31E-34 -3.00E+00
1.00E+00 3.43E-06 1.66E-14 2.00E-32 2.00E-31 -3.00E+00
1.00E+00 1.08E-05 1.66E-13 2.00E-30 6.31E-29 -3.00E+00
1.00E+00 3.43E-05 1.66E-12 2.00E-28 2.00E-26 -3.00E+00
1.00E+00 1.08E-04 1.66E-11 1.99E-26 6.31E-24 -3.00E+00
1.00E+00 3.43E-04 1.66E-10 1.99E-24 1.99E-21 -3.00E+00
9.99E-01 1.08E-03 1.66E-09 1.99E-22 6.30E-19 -3.00E+00
9.97E-01 3.42E-03 1.66E-08 1.99E-20 1.99E-16 -3.00E+00
9.89E-01 1.07E-02 1.64E-07 1.97E-18 6.24E-14 -3.00E+00
9.67E-01 3.32E-02 1.61E-06 1.93E-16 1.93E-11 -3.01E+00
9.02E-01 9.79E-02 1.50E-05 1.80E-14 5.69E-09 -3.04E+00
7.44E-01 2.55E-01 1.24E-04 1.49E-12 1.49E-06 -3.13E+00
4.79E-01 5.20E-01 7.97E-04 9.56E-11 3.02E-04 -3.32E+00
2.15E-01 7.38E-01 3.58E-03 4.29E-09 4.29E-02 -3.67E+00
1.33E-02 1.44E-01 2.21E-03 2.66E-08 8.40E-01 -4.88E+00
5.00E-05 1.72E-03 8.32E-05 9.98E-09 9.98E-01 -7.30E+00
1.58E-07 1.72E-05 2.64E-06 3.16E-09 1.00E+00 -9.80E+00
5.01E-10 1.72E-07 8.33E-08 1.00E-09 1.00E+00 -1.23E+01
1.58E-12 1.72E-09 2.64E-09 3.16E-10 1.00E+00 -1.48E+01
5.01E-15 1.72E-11 8.33E-11 1.00E-10 1.00E+00 -1.73E+01
1.58E-17 1.72E-13 2.64E-12 3.16E-11 1.00E+00 -1.98E+01
5.01E-20 1.72E-15 8.33E-14 1.00E-11 1.00E+00 -2.23E+01
1.58E-22 1.72E-17 2.64E-15 3.16E-12 1.00E+00 -2.48E+01
5.01E-25 1.72E-19 8.33E-17 1.00E-12 1.00E+00 -2.73E+01
1.58E-27 1.72E-21 2.64E-18 3.16E-13 1.00E+00 -2.98E+01
5.01E-30 1.72E-23 8.33E-20 1.00E-13 1.00E+00 -3.23E+01
1.58E-32 1.72E-25 2.64E-21 3.16E-14 1.00E+00 -3.48E+01
5.01E-35 1.72E-27 8.33E-23 1.00E-14 1.00E+00 -3.73E+01
1.58E-37 1.72E-29 2.64E-24 3.16E-15 1.00E+00 -3.98E+01
5.01E-40 1.72E-31 8.33E-26 1.00E-15 1.00E+00 -4.23E+01
1.58E-42 1.72E-33 2.64E-27 3.16E-16 1.00E+00 -4.48E+01
5.01E-45 1.72E-35 8.33E-29 1.00E-16 1.00E+00 -4.73E+01
 1.58E-47 1.72E-37 2.64E-30 3.16E-17 1.00E+00 -4.98E+01
5.01E-50 1.72E-39 8.33E-32 1.00E-17 1.00E+00 -5.23E+01
1.58E-52 1.72E-41 2.64E-33 3.16E-18 1.00E+00 -5.48E+01
5.01E-55 1.72E-43 8.33E-35 1.00E-18 1.00E+00 -5.73E+01

%[Fe(+2a)] I %[Fe(+2a)] II %[FeOH(+a)] %[HFeO2(-a)]I %[HFeO2(-a)]II Log%Fe(+2a) I

1.00E+00 4.51E-07 1.14E-14 7.97E-35 9.60E-32 -3.00E+00
1.00E+00 1.43E-06 1.14E-13 7.97E-33 3.03E-29 -3.00E+00
1.00E+00 4.51E-06 1.14E-12 7.97E-31 9.60E-27 -3.00E+00
1.00E+00 1.43E-05 1.14E-11 7.97E-29 3.03E-24 -3.00E+00
1.00E+00 4.51E-05 1.14E-10 7.97E-27 9.59E-22 -3.00E+00
1.00E+00 1.43E-04 1.14E-09 7.97E-25 3.03E-19 -3.00E+00
1.00E+00 4.51E-04 1.14E-08 7.97E-23 9.59E-17 -3.00E+00
9.99E-01 1.42E-03 1.14E-07 7.96E-21 3.03E-14 -3.00E+00
9.96E-01 4.49E-03 1.14E-06 7.93E-19 9.55E-12 -3.00E+00
9.86E-01 1.41E-02 1.13E-05 7.86E-17 2.99E-09 -3.01E+00
9.57E-01 4.31E-02 1.09E-04 7.63E-15 9.18E-07 -3.02E+00
8.74E-01 1.25E-01 1.00E-03 6.97E-13 2.65E-04 -3.06E+00
6.42E-01 2.89E-01 7.34E-03 5.11E-11 6.16E-02 -3.19E+00
3.04E-02 4.34E-02 3.48E-03 2.42E-10 9.23E-01 -4.52E+00
1.04E-04 4.70E-04 1.19E-04 8.30E-11 9.99E-01 -6.98E+00
3.30E-07 4.70E-06 3.77E-06 2.63E-11 1.00E+00 -9.48E+00
1.04E-09 4.70E-08 1.19E-07 8.31E-12 1.00E+00 -1.20E+01
3.30E-12 4.70E-10 3.77E-09 2.63E-12 1.00E+00 -1.45E+01
1.04E-14 4.70E-12 1.19E-10 8.31E-13 1.00E+00 -1.70E+01
3.30E-17 4.70E-14 3.77E-12 2.63E-13 1.00E+00 -1.95E+01
1.04E-19 4.70E-16 1.19E-13 8.31E-14 1.00E+00 -2.20E+01
3.30E-22 4.70E-18 3.77E-15 2.63E-14 1.00E+00 -2.45E+01
1.04E-24 4.70E-20 1.19E-16 8.31E-15 1.00E+00 -2.70E+01
3.30E-27 4.70E-22 3.77E-18 2.63E-15 1.00E+00 -2.95E+01
1.04E-29 4.70E-24 1.19E-19 8.31E-16 1.00E+00 -3.20E+01
3.30E-32 4.70E-26 3.77E-21 2.63E-16 1.00E+00 -3.45E+01
1.04E-34 4.70E-28 1.19E-22 8.31E-17 1.00E+00 -3.70E+01
3.30E-37 4.70E-30 3.77E-24 2.63E-17 1.00E+00 -3.95E+01
1.04E-39 4.70E-32 1.19E-25 8.31E-18 1.00E+00 -4.20E+01
3.30E-42 4.70E-34 3.77E-27 2.63E-18 1.00E+00 -4.45E+01
1.04E-44 4.70E-36 1.19E-28 8.31E-19 1.00E+00 -4.70E+01
3.30E-47 4.70E-38 3.77E-30 2.63E-19 1.00E+00 -4.95E+01
1.04E-49 4.70E-40 1.19E-31 8.31E-20 1.00E+00 -5.20E+01
3.30E-52 4.70E-42 3.77E-33 2.63E-20 1.00E+00 -5.45E+01
1.04E-54 4.70E-44 1.19E-34 8.31E-21 1.00E+00 -5.70E+01
3.30E-57 4.70E-46 3.77E-36 2.63E-21 1.00E+00 -5.95E+01
1.04E-59 4.70E-48 1.19E-37 8.31E-22 1.00E+00 -6.20E+01
Log%Fe(2+a) II Log%FeOH(+a) Log%HFeO2(-a)I Log%HFeO2(-a)II
-9.51E+00 -1.95E+01 -4.05E+01 -5.09E+01
-9.01E+00 -1.85E+01 -3.85E+01 -4.84E+01
0 2
-8.51E+00 -1.75E+01 -3.65E+01 -4.59E+01 5
-8.01E+00 -1.65E+01 -3.45E+01 -4.34E+01
3
-7.51E+00 -1.55E+01 -3.25E+01 -4.09E+01
-7.01E+00 -1.45E+01 -3.05E+01 -3.84E+01 1
-6.51E+00 -1.35E+01 -2.85E+01 -3.59E+01 -1
-6.01E+00 -1.25E+01 -2.65E+01 -3.34E+01

Log [Fe+2]
-3
-5.51E+00 -1.15E+01 -2.45E+01 -3.09E+01
-5.01E+00 -1.05E+01 -2.25E+01 -2.84E+01 -5
-4.52E+00 -9.49E+00 -2.05E+01 -2.60E+01 -7
-4.05E+00 -8.51E+00 -1.85E+01 -2.35E+01
-9
-3.63E+00 -7.59E+00 -1.66E+01 -2.11E+01
-3.31E+00 -6.77E+00 -1.48E+01 -1.87E+01 -11
CO2(a)
-3.12E+00 -6.09E+00 -1.31E+01 -1.66E+01 -13
-3.04E+00 -5.51E+00 -1.15E+01 -1.45E+01
-15
-3.02E+00 -4.98E+00 -9.98E+00 -1.25E+01
-3.02E+00 -4.48E+00 -8.48E+00 -1.05E+01
-3.05E+00 -4.01E+00 -7.01E+00 -8.48E+00
Log[Fe(+2a)] I
-3.13E+00 -3.59E+00 -5.59E+00 -6.56E+00
Log[HFeO2(-a )]II
-3.35E+00 -3.31E+00 -4.31E+00 -4.78E+00
-4.06E+00 -3.53E+00 -3.53E+00 -3.50E+00
-5.69E+00 -4.66E+00 -3.65E+00 -3.12E+00
-7.61E+00 -6.07E+00 -4.07E+00 -3.04E+00
-9.58E+00 -7.54E+00 -4.54E+00 -3.01E+00
-1.16E+01 -9.04E+00 -5.03E+00 -3.00E+00
-1.36E+01 -1.05E+01 -5.53E+00 -3.00E+00
-1.56E+01 -1.20E+01 -6.03E+00 -3.00E+00
 -1.76E+01 -1.35E+01 -6.53E+00 -3.00E+00
-1.96E+01 -1.50E+01 -7.03E+00 -3.00E+00
-2.16E+01 -1.65E+01 -7.53E+00 -3.00E+00
-2.36E+01 -1.80E+01 -8.03E+00 -3.00E+00
-2.56E+01 -1.95E+01 -8.53E+00 -3.00E+00
-2.76E+01 -2.10E+01 -9.03E+00 -3.00E+00
-2.96E+01 -2.25E+01 -9.53E+00 -3.00E+00
-3.16E+01 -2.40E+01 -1.00E+01 -3.00E+00
-3.36E+01 -2.55E+01 -1.05E+01 -3.00E+00

Log%Fe(2+a) II Log%FeOH(+a) Log%HFeO2(-a)I Log%HFeO2(-a)II

-9.46E+00 -1.88E+01 -3.87E+01 -3.87E+01
-8.96E+00 -1.78E+01 -3.67E+01 -3.62E+01
0 2
-8.46E+00 -1.68E+01 -3.47E+01 -3.37E+01 5
-7.96E+00 -1.58E+01 -3.27E+01 -3.12E+01
3
-7.46E+00 -1.48E+01 -3.07E+01 -2.87E+01
-6.96E+00 -1.38E+01 -2.87E+01 -2.62E+01 1
-6.46E+00 -1.28E+01 -2.67E+01 -2.37E+01 -1
-5.97E+00 -1.18E+01 -2.47E+01 -2.12E+01

Log [Fe+2]
-3
-5.47E+00 -1.08E+01 -2.27E+01 -1.87E+01
-4.97E+00 -9.78E+00 -2.07E+01 -1.62E+01 -5
-4.48E+00 -8.79E+00 -1.87E+01 -1.37E+01 -7
-4.01E+00 -7.82E+00 -1.67E+01 -1.12E+01
-9
-3.59E+00 -6.91E+00 -1.48E+01 -8.83E+00
-3.28E+00 -6.10E+00 -1.30E+01 -6.52E+00 -11
-3.13E+00 -5.45E+00 -1.14E+01 -4.37E+00 -13 CO2(a)
-3.84E+00 -5.65E+00 -1.06E+01 -3.08E+00
-15
-5.77E+00 -7.08E+00 -1.10E+01 -3.00E+00
-7.76E+00 -8.58E+00 -1.15E+01 -3.00E+00
-9.76E+00 -1.01E+01 -1.20E+01 -3.00E+00
Log[Fe(+2a)] I
-1.18E+01 -1.16E+01 -1.25E+01 -3.00E+00
Log[HFeO2(-a )]II
-1.38E+01 -1.31E+01 -1.30E+01 -3.00E+00
-1.58E+01 -1.46E+01 -1.35E+01 -3.00E+00
-1.78E+01 -1.61E+01 -1.40E+01 -3.00E+00
-1.98E+01 -1.76E+01 -1.45E+01 -3.00E+00
-2.18E+01 -1.91E+01 -1.50E+01 -3.00E+00
-2.38E+01 -2.06E+01 -1.55E+01 -3.00E+00
-2.58E+01 -2.21E+01 -1.60E+01 -3.00E+00
-2.78E+01 -2.36E+01 -1.65E+01 -3.00E+00
-2.98E+01 -2.51E+01 -1.70E+01 -3.00E+00
-3.18E+01 -2.66E+01 -1.75E+01 -3.00E+00
-3.38E+01 -2.81E+01 -1.80E+01 -3.00E+00
-3.58E+01 -2.96E+01 -1.85E+01 -3.00E+00
-3.78E+01 -3.11E+01 -1.90E+01 -3.00E+00
 -3.98E+01 -3.26E+01 -1.95E+01 -3.00E+00
-4.18E+01 -3.41E+01 -2.00E+01 -3.00E+00
-4.38E+01 -3.56E+01 -2.05E+01 -3.00E+00
-4.58E+01 -3.71E+01 -2.10E+01 -3.00E+00

Log%Fe(2+a) II Log%FeOH(+a) Log%HFeO2(-a)I Log%HFeO2(-a)II

-9.35E+00 -1.69E+01 -3.71E+01 -3.40E+01
-8.85E+00 -1.59E+01 -3.51E+01 -3.15E+01
0 2
-8.35E+00 -1.49E+01 -3.31E+01 -2.90E+01 5
-7.85E+00 -1.39E+01 -3.11E+01 -2.65E+01
3
-7.35E+00 -1.29E+01 -2.91E+01 -2.40E+01
-6.85E+00 -1.19E+01 -2.71E+01 -2.15E+01 1
-6.35E+00 -1.09E+01 -2.51E+01 -1.90E+01 -1
-5.85E+00 -9.94E+00 -2.31E+01 -1.65E+01

Log [Fe+2]
-3
-5.35E+00 -8.94E+00 -2.11E+01 -1.40E+01
-4.85E+00 -7.95E+00 -1.91E+01 -1.15E+01 -5
-4.37E+00 -6.96E+00 -1.71E+01 -9.04E+00 -7
-3.90E+00 -6.00E+00 -1.52E+01 -6.58E+00
-9
-3.54E+00 -5.13E+00 -1.33E+01 -4.21E+00
-4.36E+00 -5.46E+00 -1.26E+01 -3.03E+00 -11
-6.33E+00 -6.92E+00 -1.31E+01 -3.00E+00 -13
-8.33E+00 -8.42E+00 -1.36E+01 -3.00E+00 CO2(a)
-15
-1.03E+01 -9.92E+00 -1.41E+01 -3.00E+00
-1.23E+01 -1.14E+01 -1.46E+01 -3.00E+00
-1.43E+01 -1.29E+01 -1.51E+01 -3.00E+00
Log[Fe(+2a )] I
-1.63E+01 -1.44E+01 -1.56E+01 -3.00E+00
Log[HFeO2(-a )]II
-1.83E+01 -1.59E+01 -1.61E+01 -3.00E+00
-2.03E+01 -1.74E+01 -1.66E+01 -3.00E+00
-2.23E+01 -1.89E+01 -1.71E+01 -3.00E+00
-2.43E+01 -2.04E+01 -1.76E+01 -3.00E+00
-2.63E+01 -2.19E+01 -1.81E+01 -3.00E+00
-2.83E+01 -2.34E+01 -1.86E+01 -3.00E+00
-3.03E+01 -2.49E+01 -1.91E+01 -3.00E+00
-3.23E+01 -2.64E+01 -1.96E+01 -3.00E+00
-3.43E+01 -2.79E+01 -2.01E+01 -3.00E+00
-3.63E+01 -2.94E+01 -2.06E+01 -3.00E+00
-3.83E+01 -3.09E+01 -2.11E+01 -3.00E+00
-4.03E+01 -3.24E+01 -2.16E+01 -3.00E+00
-4.23E+01 -3.39E+01 -2.21E+01 -3.00E+00
-4.43E+01 -3.54E+01 -2.26E+01 -3.00E+00
-4.63E+01 -3.69E+01 -2.31E+01 -3.00E+00
-4.83E+01 -3.84E+01 -2.36E+01 -3.00E+00
-5.03E+01 -3.99E+01 -2.41E+01 -3.00E+00
 Solubilidad 5C
0 2 4 6 8 10 12 14 100%
5
90%
3
FeCO3 80%
1
70%
-1
60%
Log [Fe+2]

-3

% Fe+2
50%
-5
40%
-7
30%
-9
20%
-11
CO2(a) HCO3(-a) CO3(-2a)
10%
-13
0%
-15 2

pH

Log[Fe(+2a)] I Log[Fe(+2a )] II Log[FeOH(+a)] Log[HFeO2(-a)]I

Log[HFeO2(-a )]II Log[∑Fe(+2a)] ph1=6.51 pH2=10.47
 Solubilidad 25C
0 2 4 6 8 10 12 14 100%
5
90%
3 11 FeCO3 80%
1
70%
-1
60%
Log [Fe+2]

-3

% Fe+2
50%
-5
40%
-7
30%
-9
20%
-11
10%
-13 CO2(a) HCO3(-a) CO3(-2a)
0%
-15 2

pH

Log[Fe(+2a)] I Log[Fe(+2a )] II Log[FeOH(+a)] Log[HFeO2(-a)]I

Log[HFeO2(-a )]II Log[∑Fe(+2a)] pH1=6.46 pH2=10.35
 Solubilidad 95C
0 2 4 6 8 10 12 14 100%
5
90%
3 FeCO3
80%
1
70%
-1
60%
Log [Fe+2]

-3

% Fe+2
50%
-5
40%
-7
30%
-9
20%
-11
CO3(-2a)
10%
-13
CO2(a) HCO3(-a) 0%
-15 2
pH

Log[Fe(+2a )] I Log[Fe(+2a)] II Log[FeOH(+a)] Log[HFeO2(-a )]I

Log[HFeO2(-a )]II Log[∑Fe(+2a )] pH1=6.35 pH2=10
 Predominancia 5C
100%

90% CO2(a) HCO3(-a) CO3(-2a)

80%

70%

60%
% Fe+2

50%

40%

30%

20%

10%

0%
2 4 6 8 10 12 14 16 18

pH

%[Fe(+2a)] I %[Fe(+2a )] II %[FeOH(+a )] %[HFeO2(-a )]I

%[HFeO2(-a )]II pH1=6.51 pH2=10.47
 Predominancia 25C
100%

90% CO2(a) HCO3(-a) CO3(-2a)

80%

70%

60%
% Fe+2

50%

40%

30%

20%

10%

0%
2 4 6 8 10 12 14 16 18

pH

%[Fe(+2a)] I %[Fe(+2a )] II %[FeOH(+a )] %[HFeO2(-a )]I

%[HFeO2(-a )]II pH1=6.46 pH2=10.35
 Predominancia 95C
100%

90% CO2(a) CO3(-2a)

HCO3(-a)
80%

70%

60%
% Fe+2

50%

40%

30%

20%

10%

0%
2 4 6 8 10 12 14 16 18

pH

%[Fe(+2a)] I %[Fe(+2a )] II %[FeOH(+a )] %[HFeO2(-a )]I

%[HFeO2(-a )]II pH1=6.35 pH2=10
 Bjerrum 5C
0 2 4 6 8 10 12
0
-2a) CO2(a) HCO3(-a) CO3(-2a)
-2

-4

-6
Log [Fe+2]

-8

-10

-12

-14

-16

-18

16 18 -20

pH

]I Log%Fe(+2a ) I Log%Fe(2+a) II Log%FeOH(+a) Log%HFeO2(-a)I

Log%HFeO2(-a )II pH1=6.51 pH2=10.47
 Bjerrum 25C
0 2 4 6 8 10 12
0
2a) CO2(a) HCO3(-a) CO3(-2a)
-2

-4

-6
Log [Fe+2]

-8

-10

-12

-14

-16

-18

16 18 -20

pH

]I Log%Fe(+2a ) I Log%Fe(2+a) II Log%FeOH(+a) Log%HFeO2(-a)I

Log%HFeO2(-a )II pH1=6.46 pH2=10.35
 Bjerrum 95C
0 2 4 6 8 10 12
0
a) CO2(a) HCO3(-a) CO3(-2a)
-2

-4

-6
Log [Fe+2]

-8

-10

-12

-14

-16

-18

16 18 -20

pH

]I Log%Fe(+2a ) I Log%Fe(2+a) II Log%FeOH(+a) Log%HFeO2(-a)I

Log%HFeO2(-a )II pH1=6.35 pH2=10
10 12 14

CO3(-2a)

Log%HFeO2(-a)I
10 12 14

CO3(-2a)

Log%HFeO2(-a)I
10 12 14

CO3(-2a)

Log%HFeO2(-a)I
 Reacciones
Fe(+2a) + SO3(a) + H2O = FeSO4 + 2H(+a)
Fe(+2a) + HSO4(-a) = FeSO4 + H(+a)
Fe(+2a) + SO4(-2a) = FeSO4
FeOH(+a) + SO4(-2a) + H(+a) = FeSO4 + H2O
HFeO2(-a) + SO4(-2a) + 3H(+a) = FeSO4 + 2H2O
k1 = [H(+a)]2/ [Fe(+2a)]*[SO3(a)]
k2 = [H(+a)] / [Fe(+2a)]*[HSO4(-a)]
k3 = 1 / [Fe(+2a)]*[SO4(-a)]
k4 = 1 / [FeOH(+a)]*[H(+a)]*[SO4(-2a)]
k5 = 1 / [HFeO2(-a)]*[H(+a)]3*[SO4(-2a)]

∑[Fe(+2a)]= [Fe(+2a)] + [FeOH(+a)] + [FeO(a)] + [HFeO2(-a)]

[𝐹𝑒(+2𝑎)]𝐼= 𝐻^2/(𝑘1∗[𝑆𝑂3(𝑎)] ) [𝐹𝑒(+2𝑎)]𝐼𝐼=𝐻/(𝑘2∗[𝐻𝑆𝑂4(−𝑎)]) [𝐹𝑒(+2𝑎)]𝐼𝐼𝐼=1/(

pH [H(+a)] [Fe(+2a)] I [Fe(+2a)] II [Fe(+2a)] III [FeOH(+a)] [HFeO2(-a)] ∑Fe(+2a)

0 1.00E+00 1.71E+07 3.17E+05 8.25E+03 8.95E-07 9.02E-28 1.75E+07
0.5 3.16E-01 1.71E+06 1.00E+05 8.25E+03 2.83E-06 2.85E-26 1.82E+06
1 1.00E-01 1.71E+05 3.17E+04 8.25E+03 8.95E-06 9.02E-25 2.11E+05
1.5 3.16E-02 1.71E+04 1.00E+04 8.25E+03 2.83E-05 2.85E-23 3.54E+04
2 1.00E-02 1.71E+03 3.17E+03 8.25E+03 8.95E-05 9.02E-22 1.31E+04
2.5 3.16E-03 1.71E+02 1.00E+03 8.25E+03 2.83E-04 2.85E-20 9.42E+03
3 1.00E-03 1.71E+01 3.17E+02 8.25E+03 8.95E-04 9.02E-19 8.58E+03
3.5 3.16E-04 1.71E+00 1.00E+02 8.25E+03 2.83E-03 2.85E-17 8.35E+03
4 1.00E-04 1.71E-01 3.17E+01 8.25E+03 8.95E-03 9.02E-16 8.28E+03
4.5 3.16E-05 1.71E-02 1.00E+01 8.25E+03 2.83E-02 2.85E-14 8.26E+03
5 1.00E-05 1.71E-03 3.17E+00 8.25E+03 8.95E-02 9.02E-13 8.25E+03
5.5 3.16E-06 1.71E-04 1.00E+00 8.25E+03 2.83E-01 2.85E-11 8.25E+03
6 1.00E-06 1.71E-05 3.17E-01 8.25E+03 8.95E-01 9.02E-10 8.25E+03
6.5 3.16E-07 1.71E-06 1.00E-01 8.25E+03 2.83E+00 2.85E-08 8.25E+03
7 1.00E-07 1.71E-07 3.17E-02 8.25E+03 8.95E+00 9.02E-07 8.26E+03
7.5 3.16E-08 1.71E-08 1.00E-02 8.25E+03 2.83E+01 2.85E-05 8.27E+03
8 1.00E-08 1.71E-09 3.17E-03 8.25E+03 8.95E+01 9.02E-04 8.34E+03
8.5 3.16E-09 1.71E-10 1.00E-03 8.25E+03 2.83E+02 2.85E-02 8.53E+03
9 1.00E-09 1.71E-11 3.17E-04 8.25E+03 8.95E+02 9.02E-01 9.14E+03
9.5 3.16E-10 1.71E-12 1.00E-04 8.25E+03 2.83E+03 2.85E+01 1.11E+04
10 1.00E-10 1.71E-13 3.17E-05 8.25E+03 8.95E+03 9.02E+02 1.81E+04
10.5 3.16E-11 1.71E-14 1.00E-05 8.25E+03 2.83E+04 2.85E+04 6.51E+04
11 1.00E-11 1.71E-15 3.17E-06 8.25E+03 8.95E+04 9.02E+05 1.00E+06
11.5 3.16E-12 1.71E-16 1.00E-06 8.25E+03 2.83E+05 2.85E+07 2.88E+07
12 1.00E-12 1.71E-17 3.17E-07 8.25E+03 8.95E+05 9.02E+08 9.03E+08
12.5 3.16E-13 1.71E-18 1.00E-07 8.25E+03 2.83E+06 2.85E+10 2.85E+10
13 1.00E-13 1.71E-19 3.17E-08 8.25E+03 8.95E+06 9.02E+11 9.02E+11
13.5 3.16E-14 1.71E-20 1.00E-08 8.25E+03 2.83E+07 2.85E+13 2.85E+13
14 1.00E-14 1.71E-21 3.17E-09 8.25E+03 8.95E+07 9.02E+14 9.02E+14
14.5 3.16E-15 1.71E-22 1.00E-09 8.25E+03 2.83E+08 2.85E+16 2.85E+16
15 1.00E-15 1.71E-23 3.17E-10 8.25E+03 8.95E+08 9.02E+17 9.02E+17
15.5 3.16E-16 1.71E-24 1.00E-10 8.25E+03 2.83E+09 2.85E+19 2.85E+19
16 1.00E-16 1.71E-25 3.17E-11 8.25E+03 8.95E+09 9.02E+20 9.02E+20
16.5 3.16E-17 1.71E-26 1.00E-11 8.25E+03 2.83E+10 2.85E+22 2.85E+22
17 1.00E-17 1.71E-27 3.17E-12 8.25E+03 8.95E+10 9.02E+23 9.02E+23
17.5 3.16E-18 1.71E-28 1.00E-12 8.25E+03 2.83E+11 2.85E+25 2.85E+25
18 1.00E-18 1.71E-29 3.17E-13 8.25E+03 8.95E+11 9.02E+26 9.02E+26

pH [H(+a)] [Fe(+2a)] I [Fe(+2a)] II [Fe(+2a)] III [FeOH(+a)] [HFeO2(-a)] ∑Fe(+2a)

0 1.00E+00 1.41E+06 6.90E+04 7.97E+02 3.86E-07 4.64E-27 1.48E+06
0.5 3.16E-01 1.41E+05 2.18E+04 7.97E+02 1.22E-06 1.47E-25 1.64E+05
1 1.00E-01 1.41E+04 6.90E+03 7.97E+02 3.86E-06 4.64E-24 2.18E+04
1.5 3.16E-02 1.41E+03 2.18E+03 7.97E+02 1.22E-05 1.47E-22 4.39E+03
2 1.00E-02 1.41E+02 6.90E+02 7.97E+02 3.86E-05 4.64E-21 1.63E+03
2.5 3.16E-03 1.41E+01 2.18E+02 7.97E+02 1.22E-04 1.47E-19 1.03E+03
3 1.00E-03 1.41E+00 6.90E+01 7.97E+02 3.86E-04 4.64E-18 8.67E+02
3.5 3.16E-04 1.41E-01 2.18E+01 7.97E+02 1.22E-03 1.47E-16 8.19E+02
4 1.00E-04 1.41E-02 6.90E+00 7.97E+02 3.86E-03 4.64E-15 8.04E+02
4.5 3.16E-05 1.41E-03 2.18E+00 7.97E+02 1.22E-02 1.47E-13 7.99E+02
5 1.00E-05 1.41E-04 6.90E-01 7.97E+02 3.86E-02 4.64E-12 7.98E+02
5.5 3.16E-06 1.41E-05 2.18E-01 7.97E+02 1.22E-01 1.47E-10 7.97E+02
6 1.00E-06 1.41E-06 6.90E-02 7.97E+02 3.86E-01 4.64E-09 7.97E+02
6.5 3.16E-07 1.41E-07 2.18E-02 7.97E+02 1.22E+00 1.47E-07 7.98E+02
7 1.00E-07 1.41E-08 6.90E-03 7.97E+02 3.86E+00 4.64E-06 8.01E+02
7.5 3.16E-08 1.41E-09 2.18E-03 7.97E+02 1.22E+01 1.47E-04 8.09E+02
8 1.00E-08 1.41E-10 6.90E-04 7.97E+02 3.86E+01 4.64E-03 8.36E+02
8.5 3.16E-09 1.41E-11 2.18E-04 7.97E+02 1.22E+02 1.47E-01 9.19E+02
9 1.00E-09 1.41E-12 6.90E-05 7.97E+02 3.86E+02 4.64E+00 1.19E+03
9.5 3.16E-10 1.41E-13 2.18E-05 7.97E+02 1.22E+03 1.47E+02 2.17E+03
10 1.00E-10 1.41E-14 6.90E-06 7.97E+02 3.86E+03 4.64E+03 9.30E+03
10.5 3.16E-11 1.41E-15 2.18E-06 7.97E+02 1.22E+04 1.47E+05 1.60E+05
11 1.00E-11 1.41E-16 6.90E-07 7.97E+02 3.86E+04 4.64E+06 4.67E+06
11.5 3.16E-12 1.41E-17 2.18E-07 7.97E+02 1.22E+05 1.47E+08 1.47E+08
12 1.00E-12 1.41E-18 6.90E-08 7.97E+02 3.86E+05 4.64E+09 4.64E+09
12.5 3.16E-13 1.41E-19 2.18E-08 7.97E+02 1.22E+06 1.47E+11 1.47E+11
13 1.00E-13 1.41E-20 6.90E-09 7.97E+02 3.86E+06 4.64E+12 4.64E+12
13.5 3.16E-14 1.41E-21 2.18E-09 7.97E+02 1.22E+07 1.47E+14 1.47E+14
14 1.00E-14 1.41E-22 6.90E-10 7.97E+02 3.86E+07 4.64E+15 4.64E+15
14.5 3.16E-15 1.41E-23 2.18E-10 7.97E+02 1.22E+08 1.47E+17 1.47E+17
15 1.00E-15 1.41E-24 6.90E-11 7.97E+02 3.86E+08 4.64E+18 4.64E+18
15.5 3.16E-16 1.41E-25 2.18E-11 7.97E+02 1.22E+09 1.47E+20 1.47E+20
16 1.00E-16 1.41E-26 6.90E-12 7.97E+02 3.86E+09 4.64E+21 4.64E+21
16.5 3.16E-17 1.41E-27 2.18E-12 7.97E+02 1.22E+10 1.47E+23 1.47E+23
 17 1.00E-17 1.41E-28 6.90E-13 7.97E+02 3.86E+10 4.64E+24 4.64E+24
17.5 3.16E-18 1.41E-29 2.18E-13 7.97E+02 1.22E+11 1.47E+26 1.47E+26
18 1.00E-18 1.41E-30 6.90E-14 7.97E+02 3.86E+11 4.64E+27 4.64E+27

pH [H(+a)] [Fe(+2a)] I [Fe(+2a)] II [Fe(+2a)] III [FeOH(+a)] [HFeO2(-a)] ∑Fe(+2a)

0 1.00E+00 1.93E+03 1.22E+03 1.65E+00 4.19E-08 3.52E-25 3.15E+03
0.5 3.16E-01 1.93E+02 3.86E+02 1.65E+00 1.32E-07 1.11E-23 5.81E+02
1 1.00E-01 1.93E+01 1.22E+02 1.65E+00 4.19E-07 3.52E-22 1.43E+02
1.5 3.16E-02 1.93E+00 3.86E+01 1.65E+00 1.32E-06 1.11E-20 4.22E+01
2 1.00E-02 1.93E-01 1.22E+01 1.65E+00 4.19E-06 3.52E-19 1.41E+01
2.5 3.16E-03 1.93E-02 3.86E+00 1.65E+00 1.32E-05 1.11E-17 5.54E+00
3 1.00E-03 1.93E-03 1.22E+00 1.65E+00 4.19E-05 3.52E-16 2.88E+00
3.5 3.16E-04 1.93E-04 3.86E-01 1.65E+00 1.32E-04 1.11E-14 2.04E+00
4 1.00E-04 1.93E-05 1.22E-01 1.65E+00 4.19E-04 3.52E-13 1.77E+00
4.5 3.16E-05 1.93E-06 3.86E-02 1.65E+00 1.32E-03 1.11E-11 1.69E+00
5 1.00E-05 1.93E-07 1.22E-02 1.65E+00 4.19E-03 3.52E-10 1.67E+00
5.5 3.16E-06 1.93E-08 3.86E-03 1.65E+00 1.32E-02 1.11E-08 1.67E+00
6 1.00E-06 1.93E-09 1.22E-03 1.65E+00 4.19E-02 3.52E-07 1.70E+00
6.5 3.16E-07 1.93E-10 3.86E-04 1.65E+00 1.32E-01 1.11E-05 1.78E+00
7 1.00E-07 1.93E-11 1.22E-04 1.65E+00 4.19E-01 3.52E-04 2.07E+00
7.5 3.16E-08 1.93E-12 3.86E-05 1.65E+00 1.32E+00 1.11E-02 2.99E+00
8 1.00E-08 1.93E-13 1.22E-05 1.65E+00 4.19E+00 3.52E-01 6.19E+00
8.5 3.16E-09 1.93E-14 3.86E-06 1.65E+00 1.32E+01 1.11E+01 2.60E+01
9 1.00E-09 1.93E-15 1.22E-06 1.65E+00 4.19E+01 3.52E+02 3.95E+02
9.5 3.16E-10 1.93E-16 3.86E-07 1.65E+00 1.32E+02 1.11E+04 1.13E+04
10 1.00E-10 1.93E-17 1.22E-07 1.65E+00 4.19E+02 3.52E+05 3.52E+05
10.5 3.16E-11 1.93E-18 3.86E-08 1.65E+00 1.32E+03 1.11E+07 1.11E+07
11 1.00E-11 1.93E-19 1.22E-08 1.65E+00 4.19E+03 3.52E+08 3.52E+08
11.5 3.16E-12 1.93E-20 3.86E-09 1.65E+00 1.32E+04 1.11E+10 1.11E+10
12 1.00E-12 1.93E-21 1.22E-09 1.65E+00 4.19E+04 3.52E+11 3.52E+11
12.5 3.16E-13 1.93E-22 3.86E-10 1.65E+00 1.32E+05 1.11E+13 1.11E+13
13 1.00E-13 1.93E-23 1.22E-10 1.65E+00 4.19E+05 3.52E+14 3.52E+14
13.5 3.16E-14 1.93E-24 3.86E-11 1.65E+00 1.32E+06 1.11E+16 1.11E+16
14 1.00E-14 1.93E-25 1.22E-11 1.65E+00 4.19E+06 3.52E+17 3.52E+17
14.5 3.16E-15 1.93E-26 3.86E-12 1.65E+00 1.32E+07 1.11E+19 1.11E+19
15 1.00E-15 1.93E-27 1.22E-12 1.65E+00 4.19E+07 3.52E+20 3.52E+20
15.5 3.16E-16 1.93E-28 3.86E-13 1.65E+00 1.32E+08 1.11E+22 1.11E+22
16 1.00E-16 1.93E-29 1.22E-13 1.65E+00 4.19E+08 3.52E+23 3.52E+23
16.5 3.16E-17 1.93E-30 3.86E-14 1.65E+00 1.32E+09 1.11E+25 1.11E+25
17 1.00E-17 1.93E-31 1.22E-14 1.65E+00 4.19E+09 3.52E+26 3.52E+26
17.5 3.16E-18 1.93E-32 3.86E-15 1.65E+00 1.32E+10 1.11E+28 1.11E+28
18 1.00E-18 1.93E-33 1.22E-15 1.65E+00 4.19E+10 3.52E+29 3.52E+29
 k\T 278.15 298.15 368.15
e(+2a)]*[SO3(a)] k1 5.84E-07 7.07E-06 5.18E-03
(+2a)]*[HSO4(-a)] k2 3.15E-05 1.45E-04 8.18E-03
k3 1.21E-03 1.25E-02 6.05E+00
a)]*[H(+a)]*[SO4(-2a)] k4 1.12E+07 2.59E+07 2.39E+08
-a)]*[H(+a)]3*[SO4(-2a)] k5 1.11E+28 2.16E+27 2.84E+25

[𝐹𝑒(+2𝑎)]𝐼𝐼𝐼=1/(𝑘3∗[𝑆𝑂4(−𝑎)]) [𝐹𝑒𝑂𝐻(+𝑎)]= 1/(𝑘4∗𝐻∗[𝑆𝑂4(−2𝑎)])

Log[Fe(+2a)] I Log[Fe(+2a)] II Log[Fe(+2a)] III Log[FeOH(+a)] Log[HFeO2(-a)] Log[∑Fe(+2a)]

7.23E+00 5.50E+00 3.92E+00 -6.05E+00 -2.70E+01 7.24E+00
6.23E+00 5.00E+00 3.92E+00 -5.55E+00 -2.55E+01 6.26E+00
5.23E+00 4.50E+00 3.92E+00 -5.05E+00 -2.40E+01 5.32E+00
4.23E+00 4.00E+00 3.92E+00 -4.55E+00 -2.25E+01 4.55E+00
3.23E+00 3.50E+00 3.92E+00 -4.05E+00 -2.10E+01 4.12E+00
2.23E+00 3.00E+00 3.92E+00 -3.55E+00 -1.95E+01 3.97E+00
1.23E+00 2.50E+00 3.92E+00 -3.05E+00 -1.80E+01 3.93E+00
2.34E-01 2.00E+00 3.92E+00 -2.55E+00 -1.65E+01 3.92E+00
-7.66E-01 1.50E+00 3.92E+00 -2.05E+00 -1.50E+01 3.92E+00
-1.77E+00 1.00E+00 3.92E+00 -1.55E+00 -1.35E+01 3.92E+00
-2.77E+00 5.01E-01 3.92E+00 -1.05E+00 -1.20E+01 3.92E+00
-3.77E+00 1.42E-03 3.92E+00 -5.48E-01 -1.05E+01 3.92E+00
-4.77E+00 -4.99E-01 3.92E+00 -4.82E-02 -9.04E+00 3.92E+00
-5.77E+00 -9.99E-01 3.92E+00 4.52E-01 -7.54E+00 3.92E+00
-6.77E+00 -1.50E+00 3.92E+00 9.52E-01 -6.04E+00 3.92E+00
-7.77E+00 -2.00E+00 3.92E+00 1.45E+00 -4.54E+00 3.92E+00
-8.77E+00 -2.50E+00 3.92E+00 1.95E+00 -3.04E+00 3.92E+00
-9.77E+00 -3.00E+00 3.92E+00 2.45E+00 -1.54E+00 3.93E+00
-1.08E+01 -3.50E+00 3.92E+00 2.95E+00 -4.48E-02 3.96E+00
-1.18E+01 -4.00E+00 3.92E+00 3.45E+00 1.46E+00 4.05E+00
-1.28E+01 -4.50E+00 3.92E+00 3.95E+00 2.96E+00 4.26E+00
-1.38E+01 -5.00E+00 3.92E+00 4.45E+00 4.46E+00 4.81E+00
-1.48E+01 -5.50E+00 3.92E+00 4.95E+00 5.96E+00 6.00E+00
-1.58E+01 -6.00E+00 3.92E+00 5.45E+00 7.46E+00 7.46E+00
-1.68E+01 -6.50E+00 3.92E+00 5.95E+00 8.96E+00 8.96E+00
-1.78E+01 -7.00E+00 3.92E+00 6.45E+00 1.05E+01 1.05E+01
-1.88E+01 -7.50E+00 3.92E+00 6.95E+00 1.20E+01 1.20E+01
-1.98E+01 -8.00E+00 3.92E+00 7.45E+00 1.35E+01 1.35E+01
-2.08E+01 -8.50E+00 3.92E+00 7.95E+00 1.50E+01 1.50E+01
 -2.18E+01 -9.00E+00 3.92E+00 8.45E+00 1.65E+01 1.65E+01
-2.28E+01 -9.50E+00 3.92E+00 8.95E+00 1.80E+01 1.80E+01
-2.38E+01 -1.00E+01 3.92E+00 9.45E+00 1.95E+01 1.95E+01
-2.48E+01 -1.05E+01 3.92E+00 9.95E+00 2.10E+01 2.10E+01
-2.58E+01 -1.10E+01 3.92E+00 1.05E+01 2.25E+01 2.25E+01
-2.68E+01 -1.15E+01 3.92E+00 1.10E+01 2.40E+01 2.40E+01
-2.78E+01 -1.20E+01 3.92E+00 1.15E+01 2.55E+01 2.55E+01
-2.88E+01 -1.25E+01 3.92E+00 1.20E+01 2.70E+01 2.70E+01

Log[Fe(+2a)] I Log[Fe(+2a)] II Log[Fe(+2a)] III Log[FeOH(+a)] Log[HFeO2(-a)] Log[∑Fe(+2a)]

6.15E+00 4.84E+00 2.90E+00 -6.41E+00 -2.63E+01 6.17E+00
5.15E+00 4.34E+00 2.90E+00 -5.91E+00 -2.48E+01 5.21E+00
4.15E+00 3.84E+00 2.90E+00 -5.41E+00 -2.33E+01 4.34E+00
3.15E+00 3.34E+00 2.90E+00 -4.91E+00 -2.18E+01 3.64E+00
2.15E+00 2.84E+00 2.90E+00 -4.41E+00 -2.03E+01 3.21E+00
1.15E+00 2.34E+00 2.90E+00 -3.91E+00 -1.88E+01 3.01E+00
1.50E-01 1.84E+00 2.90E+00 -3.41E+00 -1.73E+01 2.94E+00
-8.50E-01 1.34E+00 2.90E+00 -2.91E+00 -1.58E+01 2.91E+00
-1.85E+00 8.39E-01 2.90E+00 -2.41E+00 -1.43E+01 2.91E+00
-2.85E+00 3.39E-01 2.90E+00 -1.91E+00 -1.28E+01 2.90E+00
-3.85E+00 -1.61E-01 2.90E+00 -1.41E+00 -1.13E+01 2.90E+00
-4.85E+00 -6.61E-01 2.90E+00 -9.13E-01 -9.83E+00 2.90E+00
-5.85E+00 -1.16E+00 2.90E+00 -4.13E-01 -8.33E+00 2.90E+00
-6.85E+00 -1.66E+00 2.90E+00 8.70E-02 -6.83E+00 2.90E+00
-7.85E+00 -2.16E+00 2.90E+00 5.87E-01 -5.33E+00 2.90E+00
-8.85E+00 -2.66E+00 2.90E+00 1.09E+00 -3.83E+00 2.91E+00
-9.85E+00 -3.16E+00 2.90E+00 1.59E+00 -2.33E+00 2.92E+00
-1.08E+01 -3.66E+00 2.90E+00 2.09E+00 -8.34E-01 2.96E+00
-1.18E+01 -4.16E+00 2.90E+00 2.59E+00 6.66E-01 3.07E+00
-1.28E+01 -4.66E+00 2.90E+00 3.09E+00 2.17E+00 3.34E+00
-1.38E+01 -5.16E+00 2.90E+00 3.59E+00 3.67E+00 3.97E+00
-1.48E+01 -5.66E+00 2.90E+00 4.09E+00 5.17E+00 5.20E+00
-1.58E+01 -6.16E+00 2.90E+00 4.59E+00 6.67E+00 6.67E+00
-1.68E+01 -6.66E+00 2.90E+00 5.09E+00 8.17E+00 8.17E+00
-1.78E+01 -7.16E+00 2.90E+00 5.59E+00 9.67E+00 9.67E+00
-1.88E+01 -7.66E+00 2.90E+00 6.09E+00 1.12E+01 1.12E+01
-1.98E+01 -8.16E+00 2.90E+00 6.59E+00 1.27E+01 1.27E+01
-2.08E+01 -8.66E+00 2.90E+00 7.09E+00 1.42E+01 1.42E+01
-2.18E+01 -9.16E+00 2.90E+00 7.59E+00 1.57E+01 1.57E+01
-2.28E+01 -9.66E+00 2.90E+00 8.09E+00 1.72E+01 1.72E+01
-2.38E+01 -1.02E+01 2.90E+00 8.59E+00 1.87E+01 1.87E+01
-2.48E+01 -1.07E+01 2.90E+00 9.09E+00 2.02E+01 2.02E+01
-2.58E+01 -1.12E+01 2.90E+00 9.59E+00 2.17E+01 2.17E+01
-2.68E+01 -1.17E+01 2.90E+00 1.01E+01 2.32E+01 2.32E+01
 -2.78E+01 -1.22E+01 2.90E+00 1.06E+01 2.47E+01 2.47E+01
-2.88E+01 -1.27E+01 2.90E+00 1.11E+01 2.62E+01 2.62E+01
-2.98E+01 -1.32E+01 2.90E+00 1.16E+01 2.77E+01 2.77E+01

Log[Fe(+2a)] I Log[Fe(+2a)] II Log[Fe(+2a)] III Log[FeOH(+a)] Log[HFeO2(-a)] Log[∑Fe(+2a)]

3.29E+00 3.09E+00 2.18E-01 -7.38E+00 -2.45E+01 3.50E+00
2.29E+00 2.59E+00 2.18E-01 -6.88E+00 -2.30E+01 2.76E+00
1.29E+00 2.09E+00 2.18E-01 -6.38E+00 -2.15E+01 2.16E+00
2.86E-01 1.59E+00 2.18E-01 -5.88E+00 -2.00E+01 1.63E+00
-7.14E-01 1.09E+00 2.18E-01 -5.38E+00 -1.85E+01 1.15E+00
-1.71E+00 5.87E-01 2.18E-01 -4.88E+00 -1.70E+01 7.43E-01
-2.71E+00 8.71E-02 2.18E-01 -4.38E+00 -1.55E+01 4.59E-01
-3.71E+00 -4.13E-01 2.18E-01 -3.88E+00 -1.40E+01 3.09E-01
-4.71E+00 -9.13E-01 2.18E-01 -3.38E+00 -1.25E+01 2.49E-01
-5.71E+00 -1.41E+00 2.18E-01 -2.88E+00 -1.10E+01 2.28E-01
-6.71E+00 -1.91E+00 2.18E-01 -2.38E+00 -9.45E+00 2.22E-01
-7.71E+00 -2.41E+00 2.18E-01 -1.88E+00 -7.95E+00 2.22E-01
-8.71E+00 -2.91E+00 2.18E-01 -1.38E+00 -6.45E+00 2.29E-01
-9.71E+00 -3.41E+00 2.18E-01 -8.78E-01 -4.95E+00 2.52E-01
-1.07E+01 -3.91E+00 2.18E-01 -3.78E-01 -3.45E+00 3.16E-01
-1.17E+01 -4.41E+00 2.18E-01 1.22E-01 -1.95E+00 4.75E-01
-1.27E+01 -4.91E+00 2.18E-01 6.22E-01 -4.54E-01 7.92E-01
-1.37E+01 -5.41E+00 2.18E-01 1.12E+00 1.05E+00 1.42E+00
-1.47E+01 -5.91E+00 2.18E-01 1.62E+00 2.55E+00 2.60E+00
-1.57E+01 -6.41E+00 2.18E-01 2.12E+00 4.05E+00 4.05E+00
-1.67E+01 -6.91E+00 2.18E-01 2.62E+00 5.55E+00 5.55E+00
-1.77E+01 -7.41E+00 2.18E-01 3.12E+00 7.05E+00 7.05E+00
-1.87E+01 -7.91E+00 2.18E-01 3.62E+00 8.55E+00 8.55E+00
-1.97E+01 -8.41E+00 2.18E-01 4.12E+00 1.00E+01 1.00E+01
-2.07E+01 -8.91E+00 2.18E-01 4.62E+00 1.15E+01 1.15E+01
-2.17E+01 -9.41E+00 2.18E-01 5.12E+00 1.30E+01 1.30E+01
-2.27E+01 -9.91E+00 2.18E-01 5.62E+00 1.45E+01 1.45E+01
-2.37E+01 -1.04E+01 2.18E-01 6.12E+00 1.60E+01 1.60E+01
-2.47E+01 -1.09E+01 2.18E-01 6.62E+00 1.75E+01 1.75E+01
-2.57E+01 -1.14E+01 2.18E-01 7.12E+00 1.90E+01 1.90E+01
-2.67E+01 -1.19E+01 2.18E-01 7.62E+00 2.05E+01 2.05E+01
-2.77E+01 -1.24E+01 2.18E-01 8.12E+00 2.20E+01 2.20E+01
-2.87E+01 -1.29E+01 2.18E-01 8.62E+00 2.35E+01 2.35E+01
-2.97E+01 -1.34E+01 2.18E-01 9.12E+00 2.50E+01 2.50E+01
-3.07E+01 -1.39E+01 2.18E-01 9.62E+00 2.65E+01 2.65E+01
-3.17E+01 -1.44E+01 2.18E-01 1.01E+01 2.80E+01 2.80E+01
-3.27E+01 -1.49E+01 2.18E-01 1.06E+01 2.95E+01 2.95E+01
 Fe+2
0.001

SO4(-2a)
0.1

𝐻(+𝑎)]= 1/(𝑘4∗𝐻∗[𝑆𝑂4(−2𝑎)]) [𝐻𝐹𝑒𝑂2(−𝑎)]= 1/(𝑘5∗𝐻^3∗[𝑆𝑂4(−2𝑎)])

%[Fe(+2a)] I %[Fe(+2a)] II %[Fe(+2a)] III %[FeOH(+a)] %[HFeO2(-a)] Log%Fe(+2a) I Log%Fe(2+a) II

9.81E-01 1.82E-02 4.73E-04 5.13E-14 5.17E-35 -3.01E+00 -4.74E+00
9.40E-01 5.51E-02 4.53E-03 1.55E-12 1.57E-32 -3.03E+00 -4.26E+00
8.11E-01 1.50E-01 3.90E-02 4.24E-11 4.27E-30 -3.09E+00 -3.82E+00
4.84E-01 2.83E-01 2.33E-01 7.99E-10 8.06E-28 -3.32E+00 -3.55E+00
1.30E-01 2.42E-01 6.28E-01 6.82E-09 6.87E-26 -3.88E+00 -3.62E+00
1.82E-02 1.06E-01 8.75E-01 3.00E-08 3.03E-24 -4.74E+00 -3.97E+00
2.00E-03 3.70E-02 9.61E-01 1.04E-07 1.05E-22 -5.70E+00 -4.43E+00
2.05E-04 1.20E-02 9.88E-01 3.39E-07 3.42E-21 -6.69E+00 -4.92E+00
2.07E-05 3.83E-03 9.96E-01 1.08E-06 1.09E-19 -7.68E+00 -5.42E+00
2.07E-06 1.22E-03 9.99E-01 3.43E-06 3.45E-18 -8.68E+00 -5.92E+00
2.08E-07 3.85E-04 1.00E+00 1.08E-05 1.09E-16 -9.68E+00 -6.42E+00
2.08E-08 1.22E-04 1.00E+00 3.43E-05 3.46E-15 -1.07E+01 -6.91E+00
2.08E-09 3.85E-05 1.00E+00 1.09E-04 1.09E-13 -1.17E+01 -7.41E+00
2.08E-10 1.22E-05 1.00E+00 3.43E-04 3.46E-12 -1.27E+01 -7.92E+00
2.07E-11 3.84E-06 9.99E-01 1.08E-03 1.09E-10 -1.37E+01 -8.42E+00
2.07E-12 1.21E-06 9.97E-01 3.42E-03 3.45E-09 -1.47E+01 -8.92E+00
2.05E-13 3.81E-07 9.89E-01 1.07E-02 1.08E-07 -1.57E+01 -9.42E+00
2.01E-14 1.18E-07 9.67E-01 3.32E-02 3.34E-06 -1.67E+01 -9.93E+00
1.87E-15 3.47E-08 9.02E-01 9.79E-02 9.87E-05 -1.77E+01 -1.05E+01
1.54E-16 9.03E-09 7.43E-01 2.55E-01 2.57E-03 -1.88E+01 -1.10E+01
9.46E-18 1.75E-09 4.56E-01 4.95E-01 4.98E-02 -2.00E+01 -1.18E+01
2.63E-19 1.54E-10 1.27E-01 4.35E-01 4.38E-01 -2.16E+01 -1.28E+01
1.71E-21 3.17E-12 8.25E-03 8.95E-02 9.02E-01 -2.38E+01 -1.45E+01
5.94E-24 3.48E-14 2.86E-04 9.82E-03 9.90E-01 -2.62E+01 -1.65E+01
1.90E-26 3.51E-16 9.13E-06 9.91E-04 9.99E-01 -2.87E+01 -1.85E+01
6.00E-29 3.52E-18 2.89E-07 9.92E-05 1.00E+00 -3.12E+01 -2.05E+01
1.90E-31 3.52E-20 9.14E-09 9.92E-06 1.00E+00 -3.37E+01 -2.25E+01
6.00E-34 3.52E-22 2.89E-10 9.92E-07 1.00E+00 -3.62E+01 -2.45E+01
1.90E-36 3.52E-24 9.14E-12 9.92E-08 1.00E+00 -3.87E+01 -2.65E+01
 6.00E-39 3.52E-26 2.89E-13 9.92E-09 1.00E+00 -4.12E+01 -2.85E+01
1.90E-41 3.52E-28 9.14E-15 9.92E-10 1.00E+00 -4.37E+01 -3.05E+01
6.00E-44 3.52E-30 2.89E-16 9.92E-11 1.00E+00 -4.62E+01 -3.25E+01
1.90E-46 3.52E-32 9.14E-18 9.92E-12 1.00E+00 -4.87E+01 -3.45E+01
6.00E-49 3.52E-34 2.89E-19 9.92E-13 1.00E+00 -5.12E+01 -3.65E+01
1.90E-51 3.52E-36 9.14E-21 9.92E-14 1.00E+00 -5.37E+01 -3.85E+01
6.00E-54 3.52E-38 2.89E-22 9.92E-15 1.00E+00 -5.62E+01 -4.05E+01
1.90E-56 3.52E-40 9.14E-24 9.92E-16 1.00E+00 -5.87E+01 -4.25E+01

%[Fe(+2a)] I %[Fe(+2a)] II %[Fe(+2a)] III %[FeOH(+a)] %[HFeO2(-a)] Log%Fe(+2a) I Log%Fe(2+a) II

9.53E-01 4.65E-02 5.37E-04 2.60E-13 3.12E-33 -3.02E+00 -4.33E+00
8.62E-01 1.33E-01 4.86E-03 7.45E-12 8.94E-31 -3.06E+00 -3.88E+00
6.47E-01 3.16E-01 3.65E-02 1.77E-10 2.12E-28 -3.19E+00 -3.50E+00
3.22E-01 4.97E-01 1.81E-01 2.78E-09 3.34E-26 -3.49E+00 -3.30E+00
8.68E-02 4.24E-01 4.89E-01 2.37E-08 2.85E-24 -4.06E+00 -3.37E+00
1.37E-02 2.12E-01 7.74E-01 1.19E-07 1.42E-22 -4.86E+00 -3.67E+00
1.63E-03 7.96E-02 9.19E-01 4.45E-07 5.34E-21 -5.79E+00 -4.10E+00
1.73E-04 2.66E-02 9.73E-01 1.49E-06 1.79E-19 -6.76E+00 -4.57E+00
1.76E-05 8.58E-03 9.91E-01 4.81E-06 5.77E-18 -7.75E+00 -5.07E+00
1.77E-06 2.73E-03 9.97E-01 1.53E-05 1.83E-16 -8.75E+00 -5.56E+00
1.77E-07 8.65E-04 9.99E-01 4.84E-05 5.81E-15 -9.75E+00 -6.06E+00
1.77E-08 2.74E-04 1.00E+00 1.53E-04 1.84E-13 -1.08E+01 -6.56E+00
1.77E-09 8.65E-05 9.99E-01 4.84E-04 5.81E-12 -1.18E+01 -7.06E+00
1.77E-10 2.73E-05 9.98E-01 1.53E-03 1.84E-10 -1.28E+01 -7.56E+00
1.77E-11 8.62E-06 9.95E-01 4.82E-03 5.79E-09 -1.38E+01 -8.06E+00
1.75E-12 2.70E-06 9.85E-01 1.51E-02 1.81E-07 -1.48E+01 -8.57E+00
1.69E-13 8.26E-07 9.54E-01 4.62E-02 5.55E-06 -1.58E+01 -9.08E+00
1.54E-14 2.37E-07 8.67E-01 1.33E-01 1.59E-04 -1.68E+01 -9.62E+00
1.19E-15 5.81E-08 6.71E-01 3.25E-01 3.90E-03 -1.79E+01 -1.02E+01
6.53E-17 1.01E-08 3.68E-01 5.64E-01 6.77E-02 -1.92E+01 -1.10E+01
1.52E-18 7.42E-10 8.57E-02 4.16E-01 4.99E-01 -2.08E+01 -1.21E+01
8.86E-21 1.37E-11 4.99E-03 7.65E-02 9.18E-01 -2.31E+01 -1.39E+01
3.02E-23 1.48E-13 1.70E-04 8.26E-03 9.92E-01 -2.55E+01 -1.58E+01
9.64E-26 1.49E-15 5.43E-06 8.33E-04 9.99E-01 -2.80E+01 -1.78E+01
3.05E-28 1.49E-17 1.72E-07 8.33E-05 1.00E+00 -3.05E+01 -1.98E+01
9.64E-31 1.49E-19 5.44E-09 8.33E-06 1.00E+00 -3.30E+01 -2.18E+01
3.05E-33 1.49E-21 1.72E-10 8.33E-07 1.00E+00 -3.55E+01 -2.38E+01
9.64E-36 1.49E-23 5.44E-12 8.33E-08 1.00E+00 -3.80E+01 -2.58E+01
3.05E-38 1.49E-25 1.72E-13 8.33E-09 1.00E+00 -4.05E+01 -2.78E+01
9.64E-41 1.49E-27 5.44E-15 8.33E-10 1.00E+00 -4.30E+01 -2.98E+01
3.05E-43 1.49E-29 1.72E-16 8.33E-11 1.00E+00 -4.55E+01 -3.18E+01
9.64E-46 1.49E-31 5.44E-18 8.33E-12 1.00E+00 -4.80E+01 -3.38E+01
3.05E-48 1.49E-33 1.72E-19 8.33E-13 1.00E+00 -5.05E+01 -3.58E+01
9.64E-51 1.49E-35 5.44E-21 8.33E-14 1.00E+00 -5.30E+01 -3.78E+01
 3.05E-53 1.49E-37 1.72E-22 8.33E-15 1.00E+00 -5.55E+01 -3.98E+01
9.64E-56 1.49E-39 5.44E-24 8.33E-16 1.00E+00 -5.80E+01 -4.18E+01
3.05E-58 1.49E-41 1.72E-25 8.33E-17 1.00E+00 -6.05E+01 -4.38E+01

%[Fe(+2a)] I %[Fe(+2a)] II %[Fe(+2a)] III %[FeOH(+a)] %[HFeO2(-a)] Log%Fe(+2a) I Log%Fe(2+a) II

6.12E-01 3.87E-01 5.24E-04 1.33E-11 1.11E-28 -3.21E+00 -3.41E+00
3.32E-01 6.65E-01 2.84E-03 2.28E-10 1.91E-26 -3.48E+00 -3.18E+00
1.35E-01 8.54E-01 1.15E-02 2.93E-09 2.46E-24 -3.87E+00 -3.07E+00
4.57E-02 9.15E-01 3.91E-02 3.14E-08 2.63E-22 -4.34E+00 -3.04E+00
1.37E-02 8.69E-01 1.17E-01 2.98E-07 2.50E-20 -4.86E+00 -3.06E+00
3.49E-03 6.98E-01 2.98E-01 2.39E-06 2.01E-18 -5.46E+00 -3.16E+00
6.71E-04 4.25E-01 5.74E-01 1.46E-05 1.22E-16 -6.17E+00 -3.37E+00
9.47E-05 1.90E-01 8.10E-01 6.50E-05 5.45E-15 -7.02E+00 -3.72E+00
1.09E-05 6.89E-02 9.31E-01 2.36E-04 1.98E-13 -7.96E+00 -4.16E+00
1.14E-06 2.28E-02 9.76E-01 7.83E-04 6.57E-12 -8.94E+00 -4.64E+00
1.16E-07 7.32E-03 9.90E-01 2.51E-03 2.11E-10 -9.94E+00 -5.14E+00
1.16E-08 2.32E-03 9.90E-01 7.94E-03 6.66E-09 -1.09E+01 -5.64E+00
1.14E-09 7.21E-04 9.75E-01 2.47E-02 2.07E-07 -1.19E+01 -6.14E+00
1.08E-10 2.16E-04 9.26E-01 7.42E-02 6.23E-06 -1.30E+01 -6.66E+00
9.32E-12 5.90E-05 7.98E-01 2.02E-01 1.70E-04 -1.40E+01 -7.23E+00
6.46E-13 1.29E-05 5.53E-01 4.43E-01 3.72E-03 -1.52E+01 -7.89E+00
3.12E-14 1.97E-06 2.67E-01 6.76E-01 5.68E-02 -1.65E+01 -8.70E+00
7.42E-16 1.49E-07 6.35E-02 5.09E-01 4.27E-01 -1.81E+01 -9.83E+00
4.89E-18 3.09E-09 4.18E-03 1.06E-01 8.90E-01 -2.03E+01 -1.15E+01
1.72E-20 3.43E-11 1.47E-04 1.18E-02 9.88E-01 -2.28E+01 -1.35E+01
5.49E-23 3.47E-13 4.69E-06 1.19E-03 9.99E-01 -2.53E+01 -1.55E+01
1.74E-25 3.48E-15 1.49E-07 1.19E-04 1.00E+00 -2.78E+01 -1.75E+01
5.49E-28 3.48E-17 4.70E-09 1.19E-05 1.00E+00 -3.03E+01 -1.95E+01
1.74E-30 3.48E-19 1.49E-10 1.19E-06 1.00E+00 -3.28E+01 -2.15E+01
5.49E-33 3.48E-21 4.70E-12 1.19E-07 1.00E+00 -3.53E+01 -2.35E+01
1.74E-35 3.48E-23 1.49E-13 1.19E-08 1.00E+00 -3.78E+01 -2.55E+01
5.49E-38 3.48E-25 4.70E-15 1.19E-09 1.00E+00 -4.03E+01 -2.75E+01
1.74E-40 3.48E-27 1.49E-16 1.19E-10 1.00E+00 -4.28E+01 -2.95E+01
5.49E-43 3.48E-29 4.70E-18 1.19E-11 1.00E+00 -4.53E+01 -3.15E+01
1.74E-45 3.48E-31 1.49E-19 1.19E-12 1.00E+00 -4.78E+01 -3.35E+01
5.49E-48 3.48E-33 4.70E-21 1.19E-13 1.00E+00 -5.03E+01 -3.55E+01
1.74E-50 3.48E-35 1.49E-22 1.19E-14 1.00E+00 -5.28E+01 -3.75E+01
5.49E-53 3.48E-37 4.70E-24 1.19E-15 1.00E+00 -5.53E+01 -3.95E+01
1.74E-55 3.48E-39 1.49E-25 1.19E-16 1.00E+00 -5.78E+01 -4.15E+01
5.49E-58 3.48E-41 4.70E-27 1.19E-17 1.00E+00 -6.03E+01 -4.35E+01
1.74E-60 3.48E-43 1.49E-28 1.19E-18 1.00E+00 -6.28E+01 -4.55E+01
5.49E-63 3.48E-45 4.70E-30 1.19E-19 1.00E+00 -6.53E+01 -4.75E+01
Log%Fe(2+a) III Log%FeOH(+a) Log%HFeO2(-a)
-6.33E+00 -1.63E+01 -3.73E+01 Solubi
-5.34E+00 -1.48E+01 -3.48E+01
0 2 4 6
-4.41E+00 -1.34E+01 -3.24E+01 15
-3.63E+00 -1.21E+01 -3.01E+01
-3.20E+00 -1.12E+01 -2.82E+01 FeSO4
-3.06E+00 -1.05E+01 -2.65E+01 10
-3.02E+00 -9.98E+00 -2.50E+01
-3.01E+00 -9.47E+00 -2.35E+01
Log [Fe+2]

5
-3.00E+00 -8.97E+00 -2.20E+01
-3.00E+00 -8.46E+00 -2.05E+01
-3.00E+00 -7.96E+00 -1.90E+01 0
-3.00E+00 -7.46E+00 -1.75E+01
-3.00E+00 -6.96E+00 -1.60E+01
-3.00E+00 -6.46E+00 -1.45E+01 -5
-3.00E+00 -5.96E+00 -1.30E+01
-3.00E+00 -5.47E+00 -1.15E+01 SO3(a)
-10
-3.00E+00 -4.97E+00 -9.97E+00
-3.01E+00 -4.48E+00 -8.48E+00
-3.04E+00 -4.01E+00 -7.01E+00
Log[Fe(+2a )] I Log[Fe(+2a)] II
-3.13E+00 -3.59E+00 -5.59E+00
Log[HFeO2(-a )] Log[∑Fe(+2a )]
-3.34E+00 -3.31E+00 -4.30E+00
-3.90E+00 -3.36E+00 -3.36E+00
-5.08E+00 -4.05E+00 -3.04E+00
-6.54E+00 -5.01E+00 -3.00E+00
-8.04E+00 -6.00E+00 -3.00E+00
-9.54E+00 -7.00E+00 -3.00E+00
-1.10E+01 -8.00E+00 -3.00E+00
-1.25E+01 -9.00E+00 -3.00E+00
-1.40E+01 -1.00E+01 -3.00E+00
 -1.55E+01 -1.10E+01 -3.00E+00
-1.70E+01 -1.20E+01 -3.00E+00
-1.85E+01 -1.30E+01 -3.00E+00
-2.00E+01 -1.40E+01 -3.00E+00
-2.15E+01 -1.50E+01 -3.00E+00
-2.30E+01 -1.60E+01 -3.00E+00
-2.45E+01 -1.70E+01 -3.00E+00
-2.60E+01 -1.80E+01 -3.00E+00

Log%Fe(2+a) III Log%FeOH(+a) Log%HFeO2(-a)

-6.27E+00 -1.56E+01 -3.55E+01 Solubi
-5.31E+00 -1.41E+01 -3.30E+01
0 2 4 6
-4.44E+00 -1.28E+01 -3.07E+01 15
-3.74E+00 -1.16E+01 -2.85E+01
-3.31E+00 -1.06E+01 -2.65E+01 FeSO4
-3.11E+00 -9.93E+00 -2.48E+01 10
-3.04E+00 -9.35E+00 -2.33E+01
-3.01E+00 -8.83E+00 -2.17E+01

Log [Fe+2]
5
-3.00E+00 -8.32E+00 -2.02E+01 11
-3.00E+00 -7.82E+00 -1.87E+01
-3.00E+00 -7.31E+00 -1.72E+01 0
-3.00E+00 -6.81E+00 -1.57E+01
-3.00E+00 -6.31E+00 -1.42E+01
-3.00E+00 -5.82E+00 -1.27E+01 -5
-3.00E+00 -5.32E+00 -1.12E+01 SO3(a)
-3.01E+00 -4.82E+00 -9.74E+00 HSO4(-a)
-10
-3.02E+00 -4.34E+00 -8.26E+00
-3.06E+00 -3.88E+00 -6.80E+00
-3.17E+00 -3.49E+00 -5.41E+00
Log[Fe(+2a )] I Log[Fe(+2a)]
-3.43E+00 -3.25E+00 -4.17E+00
Log[HFeO2(-a )] Log[∑Fe(+2a )
-4.07E+00 -3.38E+00 -3.30E+00
-5.30E+00 -4.12E+00 -3.04E+00
-6.77E+00 -5.08E+00 -3.00E+00
-8.26E+00 -6.08E+00 -3.00E+00
-9.76E+00 -7.08E+00 -3.00E+00
-1.13E+01 -8.08E+00 -3.00E+00
-1.28E+01 -9.08E+00 -3.00E+00
-1.43E+01 -1.01E+01 -3.00E+00
-1.58E+01 -1.11E+01 -3.00E+00
-1.73E+01 -1.21E+01 -3.00E+00
-1.88E+01 -1.31E+01 -3.00E+00
-2.03E+01 -1.41E+01 -3.00E+00
-2.18E+01 -1.51E+01 -3.00E+00
-2.33E+01 -1.61E+01 -3.00E+00
 -2.48E+01 -1.71E+01 -3.00E+00
-2.63E+01 -1.81E+01 -3.00E+00
-2.78E+01 -1.91E+01 -3.00E+00

Log%Fe(2+a) III Log%FeOH(+a) Log%HFeO2(-a)

-6.28E+00 -1.39E+01 -3.10E+01 Solubil
-5.55E+00 -1.26E+01 -2.87E+01
0 2 4 6
-4.94E+00 -1.15E+01 -2.66E+01 15
-4.41E+00 -1.05E+01 -2.46E+01
-3.93E+00 -9.53E+00 -2.26E+01 FeSO4
-3.53E+00 -8.62E+00 -2.07E+01 10
-3.24E+00 -7.84E+00 -1.89E+01
-3.09E+00 -7.19E+00 -1.73E+01

Log [Fe+2]
5
-3.03E+00 -6.63E+00 -1.57E+01
-3.01E+00 -6.11E+00 -1.42E+01
-3.00E+00 -5.60E+00 -1.27E+01 0
-3.00E+00 -5.10E+00 -1.12E+01
-3.01E+00 -4.61E+00 -9.68E+00
-3.03E+00 -4.13E+00 -8.21E+00 -5
-3.10E+00 -3.69E+00 -6.77E+00
-3.26E+00 -3.35E+00 -5.43E+00 SO3(a) HSO4(-a)
-10
-3.57E+00 -3.17E+00 -4.25E+00
-4.20E+00 -3.29E+00 -3.37E+00
-5.38E+00 -3.97E+00 -3.05E+00
Log[Fe(+2a)] I Log[Fe(+2a)] I
-6.83E+00 -4.93E+00 -3.01E+00
Log[HFeO2(-a)] Log[∑Fe(+2a )]
-8.33E+00 -5.92E+00 -3.00E+00
-9.83E+00 -6.92E+00 -3.00E+00
-1.13E+01 -7.92E+00 -3.00E+00
-1.28E+01 -8.92E+00 -3.00E+00
-1.43E+01 -9.92E+00 -3.00E+00
-1.58E+01 -1.09E+01 -3.00E+00
-1.73E+01 -1.19E+01 -3.00E+00
-1.88E+01 -1.29E+01 -3.00E+00
-2.03E+01 -1.39E+01 -3.00E+00
-2.18E+01 -1.49E+01 -3.00E+00
-2.33E+01 -1.59E+01 -3.00E+00
-2.48E+01 -1.69E+01 -3.00E+00
-2.63E+01 -1.79E+01 -3.00E+00
-2.78E+01 -1.89E+01 -3.00E+00
-2.93E+01 -1.99E+01 -3.00E+00
-3.08E+01 -2.09E+01 -3.00E+00
-3.23E+01 -2.19E+01 -3.00E+00
 Solubilidad 5C
4 6 8 10 12 14 100%

90% SO3(a)
FeSO4
80%

70%

60%
% Fe+2
50%

40%

30%

20%

10%
SO4(-2a)
0%
0 2 4
pH

a )] I Log[Fe(+2a)] II Log[Fe(+2a)] III Log[FeOH(+a)]

2(-a )] Log[∑Fe(+2a )] ph1=1.73 %[Fe(+2a)] I %[Fe(+2a )] II
 Solubilidad 25C
4 6 8 10 12 14 100%

90%
HSO4(-a)
FeSO4
80%

70%

60%
SO3(a)
11

% Fe+2
50%

40%

30%

20%

10%

SO4(-2a) 0%
0 2 4

pH

2a )] I Log[Fe(+2a)] II Log[Fe(+2a)] III Log[FeOH(+a)] %[Fe(+2a)] I

O2(-a )] Log[∑Fe(+2a )] pH1=1.31 pH2=1.93 %[HFeO2(-a)]
 Solubilidad 95C
4 6 8 10 12 14 100%

90%
SO3(a)
FeSO4 80% HSO4(-a)
70%

60%

% Fe+2
50%

40%

30%

20%

10%

SO4(-2a) 0%
0 2 4
pH

2a)] I Log[Fe(+2a)] II Log[Fe(+2a)] III Log[FeOH(+a)] %[Fe(+2a)] I

O2(-a)] Log[∑Fe(+2a )] pH1=0.2 pH2=2.87 %[HFeO2(-a)]
 Predominancia 5C
0 2
0
SO3(a) SO4(-2a) SO3(a)
-2

-4

-6

Log [Fe+2]
-8

-10

-12

-14

-16

-18

-20
2 4 6 8 10 12 14

pH

Fe(+2a)] I %[Fe(+2a )] II %[Fe(+2a)] III %[FeOH(+a )] %[HFeO2(-a)] pH1=1.73

 Predominancia 25C
0 2
0 SO3(a)
HSO4(-a) SO4(-2a) HSO4(-a)
-2

-4

-6
O3(a)

Log [Fe+2]
-8

-10

-12

-14

-16

-18

2 4 6 8 10 12 14 -20

pH

%[Fe(+2a)] I %[Fe(+2a)] II %[Fe(+2a )] III %[FeOH(+a )] Log%Fe

%[HFeO2(-a)] pH1=1.31 pH2=1.93 Log%H
 Predominancia 95C
0 2
0
SO4(-2a) SO3(a)
-2
HSO4(-a)
-4

-6

Log [Fe+2]
-8

-10

-12

-14

-16

-18

2 4 6 8 10 12 14 -20

pH

%[Fe(+2a)] I %[Fe(+2a)] II %[Fe(+2a )] III %[FeOH(+a )] Log%Fe

%[HFeO2(-a)] pH1=0.2 pH2=2.87 Log%H
 Bjerrum 5C
0 2 4 6 8 10 12 14
0
SO3(a) SO4(-2a)
-2

-4

-6
Log [Fe+2]

-8

-10

-12

-14

-16

-18

-20

pH

Log%Fe(+2a) I Log%Fe(2+a ) II Log%Fe(2+a ) III

Log%FeOH(+a) Log%HFeO2(-a ) pH1=1.73
 Bjerrum 25C
0 2 4 6 8 10 12 14
0 SO3(a) SO4(-2a)
HSO4(-a)
-2

-4

-6
Log [Fe+2]

-8

-10

-12

-14

-16

-18

-20

pH

Log%Fe(+2a ) I Log%Fe(2+a) II Log%Fe(2+a) III Log%FeOH(+a)

Log%HFeO2(-a) pH1=1.31 pH2=1.93
 Bjerrum 95C
0 2 4 6 8 10 12 14
0
SO3(a) HSO4(-a) SO4(-2a)
-2

-4

-6
Log [Fe+2]

-8

-10

-12

-14

-16

-18

-20

pH

Log%Fe(+2a ) I Log%Fe(2+a) II Log%Fe(2+a) III Log%FeOH(+a)

Log%HFeO2(-a) pH1=0.2 pH2=2.87
Eh (Volts) Fe - S - H2O - Systemat 5.00 C Eh (Volts)
2.0 2.0

FeOH(+2a) FeOH(+2a)
1.5 Fe2O3 1.5
5 25

1.0 1.0 25
5
5 5
5 FeO2(-a)
0.5 0.5
5 5 25
5
5
0.0 0.0
5
5
5
-0.5 FeS2 -0.5
5 5 5
5 5
5 5
5
-1.0 -1.0

Fe(+2a)
FeOH(+a)
5 5 HFeO2(-a)
-1.5 -1.5
H2Olimits
-2.0 -2.0
-2 0 2 4 6 8 10 12 14 16 18 -2 0
C:\HSC6\EpH\CEpHSD0.EPT pH C:\HSC6\EpH\CEpH

ELEMENTS Molality Pressure ELEME

Fe 1.000E-03 1.000E+00 Fe
S 1.000E-01 1.000E+00 S

Eh (Volts) S - H2O - Systemat 5.00 C Eh (Volts)

2.0 2.0

1.5 1.5
HSO4(-a) HSO4(-a)
5
1.0 SO4(-2a) 1.0
5

0.5 0.5
S
5 S25

0.0 5
5 0.0
5

5 5
-0.5 -0.5
5

-1.0 H2S(a) -1.0

5
HS(-a)
5
S(-2a)
-1.5 -1.5
H2Olimits
-2.0 -2.0
-2 0 2 4 6 8 10 12 14 16 18 -2 0
 5 5
-0.5 -0.5
5

-1.0 H2S(a) -1.0

5
HS(-a)
5
S(-2a)
-1.5 -1.5
H2Olimits
-2.0 -2.0
-2 0 2 4 6 8 10 12 14 16 18 -2 0
C:\HSC6\EpH\S.iep pH C:\HSC6\EpH\S.iep

ELEMENTS Molality Pressure ELEME

S 1.000E-01 1.000E+00 S

1 FeS2 = 2S + Fe(+2a) + 2e-

T deltaH deltaS deltaG K E vs. SHE
K kJ J/K kJ V
278.150 79.952 38.512 69.240 9.911E-014 -0.359
283.150 79.697 37.602 69.050 1.823E-013 -0.358
288.150 79.503 36.924 68.864 3.278E-013 -0.357
293.150 79.356 36.418 68.680 5.771E-013 -0.356
298.150 79.243 36.034 68.499 9.959E-013 -0.355
303.150 79.152 35.732 68.320 1.687E-012 -0.354
308.150 79.075 35.481 68.142 2.807E-012 -0.353
313.150 79.006 35.259 67.965 4.594E-012 -0.352
318.150 78.941 35.052 67.789 7.400E-012 -0.352
323.150 78.877 34.851 67.615 1.174E-011 -0.351
328.150 78.813 34.654 67.441 1.836E-011 -0.350
333.150 78.749 34.463 67.268 2.832E-011 -0.349
338.150 78.684 34.267 67.096 4.312E-011 -0.348
343.150 78.611 34.055 66.925 6.482E-011 -0.347
348.150 78.532 33.825 66.756 9.627E-011 -0.346
353.150 78.444 33.573 66.587 1.413E-010 -0.345
358.150 78.346 33.298 66.420 2.052E-010 -0.344
363.150 78.236 32.995 66.254 2.947E-010 -0.344
368.150 78.115 32.663 66.090 4.189E-010 -0.343

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
 FeS2 119.967 100.000 1.000 119.967 23.898
g/mol wt-% mol g l or ml
S 32.060 53.448 2.000 64.120 30.976
Fe(+2a) 55.847 46.552 1.000 55.847 0.000
e- 0.001 0.001 2.000 0.001 0.000

2 FeS2 + 8H2O = Fe(+2a) + 2SO4(-2a) + 16H(+a) + 14e-

T deltaH deltaS deltaG K E vs. SHE
K kJ J/K kJ V
278.150 569.930 314.880 482.346 2.577E-091 -0.357
283.150 563.431 291.718 480.831 1.952E-089 -0.356
288.150 557.469 270.846 479.425 1.215E-087 -0.355
293.150 551.920 251.752 478.119 6.304E-086 -0.354
298.150 546.679 234.023 476.905 2.761E-084 -0.353
303.150 541.662 217.333 475.777 1.032E-082 -0.352
308.150 536.796 201.415 474.731 3.322E-081 -0.352
313.150 532.034 186.085 473.762 9.289E-080 -0.351
318.150 527.341 171.216 472.869 2.273E-078 -0.350
323.150 522.698 156.733 472.049 4.904E-077 -0.350
328.150 518.096 142.604 471.301 9.383E-076 -0.349
333.150 513.543 128.832 470.623 1.602E-074 -0.349
338.150 509.006 115.314 470.012 2.456E-073 -0.348
343.150 504.458 101.965 469.469 3.395E-072 -0.348
348.150 499.893 88.756 468.992 4.254E-071 -0.347
353.150 495.302 75.662 468.581 4.853E-070 -0.347
358.150 490.675 62.655 468.236 5.059E-069 -0.347
363.150 486.006 49.707 467.955 4.840E-068 -0.347
368.150 481.284 36.793 467.739 4.263E-067 -0.347

Formula FM Conc. Amount Amount Volume

g/mol wt-% mol g l or ml
FeS2 119.967 45.427 1.000 119.967 23.898
H2O 18.015 54.573 8.000 144.122 157.166
g/mol wt-% mol g l or ml
Fe(+2a) 55.847 21.146 1.000 55.847 0.000
SO4(-2a) 96.058 72.744 2.000 192.115 0.000
H(+a) 1.008 6.106 16.000 16.126 0.000
e- 0.001 0.003 14.000 0.008 0.000
Eh (Volts) Fe - S - H2O - Systemat 25.00 C Eh (Volts)
2.0 2.0

FeOH(+2a) FeOH(+2a)
1.5 Fe2O3 1.5 95
25

95
1.0 25
1.0
25 25
25 FeO2(-a)
0.5 0.5
25 25
25 95
25
0.0 0.0
25
25
-0.5 25 -0.5
FeS2
25 25 25
25 25
25 25 25
-1.0 -1.0

Fe(+2a)
FeOH(+a)
25 25 HFeO2(-a)
-1.5 -1.5
H2Olimits
-2.0 -2.0
-2 0 2 4 6 8 10 12 14 16 18 -2 0
C:\HSC6\EpH\CEpHSD0.EPT pH C:\HSC6\EpH\CEpH

ELEMENTS Molality Pressure ELEME

Fe 1.000E-03 1.000E+00 Fe
S 1.000E-01 1.000E+00 S

Eh (Volts) S - H2O - Systemat 25.00 C Eh (Volts)

2.0 2.0

1.5 1.5
HSO4(-a) HSO4(-a)
25
1.0 SO4(-2a) 1.0
25

0.5 0.5
S25 S 95

0.0 25
25 0.0
25

25
-0.5 25 -0.5
25

-1.0 H2S(a) -1.0

25
HS(-a)
25
S(-2a)
-1.5 -1.5
H2Olimits
-2.0 -2.0
-2 0 2 4 6 8 10 12 14 16 18 -2 0
 25
-0.5 25 -0.5
25

-1.0 H2S(a) -1.0

25
HS(-a)
25
S(-2a)
-1.5 -1.5
H2Olimits
-2.0 -2.0
-2 0 2 4 6 8 10 12 14 16 18 -2 0
C:\HSC6\EpH\S.iep pH C:\HSC6\EpH\S.iep

ELEMENTS Molality Pressure ELEME

S 1.000E-01 1.000E+00 S
ml

ml
ml
ml

ml
ml

ml
ml
ml
ml
Eh (Volts) Fe - S - H2O - Systemat 95.00 C
2.0

FeOH(+2a)
1.5 95 Fe2O3

95
1.0
95 FeO2(-a)
95 95
0.5
95 95
95

0.0 95

95
95
-0.5 FeS2
95

95 95
95 95 95
-1.0 95 95
95
Fe(+2a)
-1.5 FeOH(+a)
9595
HFeO2(-a)
H2Olimits
-2.0
-2 0 2 4 6 8 10 12 14 16 18
C:\HSC6\EpH\CEpHSD0.EPT pH

ELEMENTS Molality Pressure

Fe 1.000E-03 1.000E+00
S 1.000E-01 1.000E+00

Eh (Volts) S - H2O - Systemat 95.00 C

2.0

1.5
HSO4(-a)
SO4(-2a)
95
1.0

95
0.5
S 95

0.0 95
95

95
-0.5 95
95

95
-1.0 H2S(a)
95
HS(-a)
95

-1.5 S(-2a)
H2Olimits
-2.0
-2 0 2 4 6 8 10 12 14 16 18
-0.5 95
95

95
-1.0 H2S(a)
95
HS(-a)
95

-1.5 S(-2a)
H2Olimits
-2.0
-2 0 2 4 6 8 10 12 14 16 18
C:\HSC6\EpH\S.iep pH

ELEMENTS Molality Pressure

S 1.000E-01 1.000E+00