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Fe(2+) -H2O Tomando en cuenta Fe(OH)2 solido

k\T 278.15 298.15 368.15


LogK 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

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

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
Fe(+2) -CO2 -H2O
k\T 278.15 298.15 368.15
LogK k1 7.69E-10 3.10E-09 1.24E-07
k2 2.48E-03 9.04E-03 2.75E-01
k3 2.29E+07 1.86E+07 1.08E+07
k4 2.27E+28 1.55E+27 1.29E+24
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
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

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

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
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
Fe(+2a)-H2O Ligando
k\T
LogK k1'
k2'
k3'
k4'

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
Fe(+2a) + H2O = FeOH(+a) + H(+a)
T deltaH
B' A' K kJ
-4666.72418 2.70993483 278.150 50.676
3.89515898 0.0121857 283.150 50.937
0.99998816 0.004524 288.150 51.135
1435403.14 17 293.150 51.286
29.3777284 0.00034793 298.150 51.400
303.150 51.488
308.150 51.557
∆�=𝐴+𝐵∗𝑇 313.150 51.613
318.150 51.658
B A 323.150 51.697
-0.05172984 89.2870716 328.150 51.729
0.00023368 0.07578418 333.150 51.754
0.99965322 0.02789509 338.150 51.775
49005.1258 17 343.150 51.795
38.1326628 0.01322832 348.150 51.816
353.150 51.838
358.150 51.861
363.150 51.887
368.150 51.916

Formula FM
g/mol
Fe(+2a) 55.847
H2O 18.015
g/mol
FeOH(+a) 72.854
H(+a) 1.008

FeOH(+a) = FeO(a) + H(+a)


log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) T deltaH
B' A' K kJ
-1971.72807 2.98539997 278.150 64.779
5.50206081 0.01721277 283.150 64.360
0.99986764 0.00639032 288.150 63.978
128423.135 17 293.150 63.628
5.24430552 0.00069421 298.150 63.304
303.150 63.001
308.150 62.717
313.150 62.448
∆�=𝐴+𝐵∗𝑇 318.150 62.194
B A 323.150 61.953
-0.05694397 37.6783752 328.150 61.724
0.00032557 0.10558421 333.150 61.509
0.99944462 0.03886407 338.150 61.304
30592.419 17 343.150 61.109
46.2072667 0.02567707 348.150 60.925
353.150 60.751
358.150 60.588
363.150 60.435
368.150 60.292

Formula FM
g/mol
FeOH(+a) 72.854
g/mol
FeO(a) 71.846
H(+a) 1.008

FeO(a) + H2O = HFeO2(-a) + H(+a)


T deltaH
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
K kJ
B' A' 278.150 22.610
1280.33977 3.17351359 283.150 22.853
2.15289294 0.00673516 288.150 23.041
0.99995194 0.00250046 293.150 23.182
353676.01 17 298.150 23.284
2.21128345 0.00010629 303.150 23.350
308.150 23.386
313.150 23.393
318.150 23.375
∆�=𝐴+𝐵∗𝑇
323.150 23.331
B A 328.150 23.263
-0.06082806 -24.4840609 333.150 23.169
0.00012491 0.04051054 338.150 23.055
0.99992831 0.01491136 343.150 22.917
237131.02 17 348.150 22.758
52.7257615 0.00377993 353.150 22.575
358.150 22.369
363.150 22.140
368.150 21.885

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) Fe(+2a) + H2O = FeO(a) + 2H(+a)


T deltaH
B' A' K kJ
2488.92318 7.94517672 278.150 115.455
3.38889726 0.0106019 283.150 115.297
0.99996848 0.003936 288.150 115.114
539394.086 17 293.150 114.914
8.35635595 0.00026337 298.150 114.704
303.150 114.490
308.150 114.274
∆�=𝐴+𝐵∗𝑇 313.150 114.061
318.150 113.852
B A 323.150 113.650
-0.15221706 -47.6048321 328.150 113.453
0.00020982 0.06804661 333.150 113.262
0.9999677 0.025047 338.150 113.078
526295.95 17 343.150 112.905
330.172972 0.01066499 348.150 112.741
353.150 112.589
358.150 112.449
363.150 112.321
368.150 112.208
Fe-SO2(-2)-H2O
k\T
LogK k1
k2
k3
k4
k5
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

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


T deltaH
B' A' K kJ
-2511.20088 -0.08598862 278.150 83.410
23.2780561 0.07282358 283.150 83.836
0.99854137 0.02703608 288.150 84.204
11637.7625 17 293.150 84.532
8.5066165 0.01242614 298.150 84.831
303.150 85.111
∆�=𝐴+𝐵∗𝑇
308.150 85.382
313.150 85.649
318.150 85.915
B A 323.150 86.184
0.00251607 47.7912631 328.150 86.456
0.0013855 0.44932953 333.150 86.729
0.16247353 0.1653919 338.150 87.009
3.29786602 17 343.150 87.298
0.09021141 0.46502615 348.150 87.596
353.150 87.906
358.150 88.228
363.150 88.563
368.150 88.912

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

Fe(+2a) + HSO4(-a) = FeSO4 + H(+a)


T deltaH
B' A' K kJ
-2325.08306 5.75439667 278.150 47.713
21.5373962 0.06737806 283.150 48.466
0.99854345 0.0250144 288.150 49.134
11654.4168 17 293.150 49.742
7.2924068 0.01063725 298.150 50.309
∆�=𝐴+𝐵∗𝑇 303.150 50.850
308.150 51.377
313.150 51.900
318.150 52.425
B A 323.150 52.955
-0.11095985 44.7676576 328.150 53.492
0.00128135 0.41555096 333.150 54.035
0.99773814 0.15295848 338.150 54.587
7498.93346 17 343.150 55.156
175.447267 0.39773703 348.150 55.743
353.150 56.350
358.150 56.978
363.150 57.629
368.150 58.307

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

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


369.913047 6.02986181 T deltaH
19.9254199 0.06233512 K kJ
0.95299385 0.02314219 278.150 63.548
344.654801 17 283.150 66.289
0.18458366 0.00910454 288.150 68.734
∆�=𝐴+𝐵∗𝑇 293.150 70.955
298.150 73.011
303.150 74.948
308.150 76.804
B A 313.150 78.606
-0.11617398 -6.84109552 318.150 80.375
0.00118931 0.38570261 323.150 82.120
0.99822153 0.14197172 328.150 83.846
9541.76974 17 333.150 85.549
192.323623 0.34265149 338.150 87.248
343.150 88.956
348.150 90.678
353.150 92.418
358.150 94.182
363.150 95.974
368.150 97.799

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

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


B' A' T deltaH
4830.5643 10.9896386 K kJ
28.6962206 0.08977389 278.150 12.872
0.99940043 0.03332895 283.150 15.352
28336.5081 17 288.150 17.599
31.4767352 0.01888393 293.150 19.669
∆�=𝐴+𝐵∗𝑇
298.150 21.610
303.150 23.459
308.150 25.247
313.150 26.994
B A 318.150 28.716
-0.21144718 -92.1243966 323.150 30.423
0.00171776 0.5570851 328.150 32.117
0.99887931 0.20505521 333.150 33.796
15152.2474 17 338.150 35.473
637.116232 0.71480987 343.150 37.160
348.150 38.862
353.150 40.581
358.150 42.321
363.150 44.087
368.150 45.883
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

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


B' A' T deltaH
5347.76926 19.6014354 K kJ
64.0515837 0.20038038 278.150 -74.518
0.99756721 0.0743921 283.150 -71.861
6970.84741 17 288.150 -69.420
38.5779606 0.09408115
∆�=𝐴+𝐵∗𝑇 293.150 -67.141
298.150 -64.978
303.150 -62.892
308.150 -60.857
313.150 -58.848
B A 318.150 -56.852
-0.37762119 -101.600065 323.150 -54.860
0.00381645 1.23770755 328.150 -52.870
0.99826659 0.45558279 333.150 -50.882
9790.23161 17 338.150 -48.886
2032.01815 3.52844652 343.150 -46.866
348.150 -44.821
353.150 -42.746
358.150 -40.636
363.150 -38.487
368.150 -36.295
-H2O Ligando
278.15 298.15 368.15
1.09E-10 4.85E-10 2.54E-08
1.32E-12 8.02E-12 9.51E-10
7.64E-10 1.50E-09 8.82E-09
1.43E-22 3.89E-21 2.41E-17

= FeOH(+a) + H(+a)
deltaS deltaG K Log(K)
J/K kJ B' A'
-8.466 53.031 1.097E-010 -9.960 -2694.9961 -0.27546514
-7.536 53.071 1.618E-010 -9.791 1.68050824 0.00525734
-6.841 53.106 2.357E-010 -9.628 0.99999339 0.00195181
-6.322 53.139 3.393E-010 -9.469 2571786.98 17
-5.935 53.170 4.831E-010 -9.316 9.79738621 6.47626E-05
-5.642 53.199 6.804E-010 -9.167
-5.417 53.226 9.480E-010 -9.023
-5.239 53.253 1.307E-009 -8.884
-5.093 53.279 1.786E-009 -8.748
-4.973 53.304 2.416E-009 -8.617 B A
-4.875 53.329 3.240E-009 -8.490 0.00521413 51.6086964
-4.800 53.353 4.306E-009 -8.366 9.59808E-05 0.03112739
-4.737 53.377 5.677E-009 -8.246 0.99427256 0.01145755
-4.676 53.400 7.425E-009 -8.129 2951.16844 17
-4.617 53.423 9.637E-009 -8.016 0.38741626 0.00223168
-4.556 53.446 1.242E-008 -7.906
-4.490 53.469 1.589E-008 -7.799
-4.419 53.491 2.020E-008 -7.695
-4.339 53.513 2.551E-008 -7.593

Conc. Amount Amount Volume


wt-% mol g l or ml
75.610 1.000 55.847 0.000 ml
24.390 1.000 18.015 19.646 ml
wt-% mol g l or ml
98.635 1.000 72.854 0.000 ml
1.365 1.000 1.008 0.000 ml

O(a) + H(+a)
deltaS deltaG K Log(K)
J/K kJ B' A'
5.133 63.352 1.265E-012 -11.898 -3252.06784 -0.18811361
3.638 63.330 2.071E-012 -11.684 7.64053988 0.02390283
2.302 63.315 3.323E-012 -11.478 0.99990617 0.00887403
1.097 63.307 5.234E-012 -11.281 181163.666 17
0.000 63.304 8.100E-012 -11.092 14.2663587 0.00133872
-1.006 63.306 1.233E-011 -10.909
-1.937 63.314 1.848E-011 -10.733
-2.801 63.326 2.730E-011 -10.564
-3.607 63.342 3.977E-011 -10.400
-4.360 63.362 5.718E-011 -10.243 B A
-5.062 63.385 8.120E-011 -10.090 0.0038841 62.162436
-5.714 63.412 1.140E-010 -9.943 0.00044966 0.14582752
-6.325 63.442 1.582E-010 -9.801 0.81443801 0.05367707
-6.896 63.475 2.172E-010 -9.663 74.6135885 17
-7.428 63.511 2.953E-010 -9.530 0.21497871 0.04898087
-7.924 63.550 3.977E-010 -9.400
-8.383 63.590 5.307E-010 -9.275
-8.808 63.633 7.020E-010 -9.154
-9.197 63.678 9.211E-010 -9.036

Conc. Amount Amount Volume


wt-% mol g l or ml
100.000 1.000 72.854 0.000 ml
wt-% mol g l or ml
98.617 1.000 71.846 0.000 ml
1.383 1.000 1.008 0.000 ml

= HFeO2(-a) + H(+a)
deltaS deltaG K Log(K)
J/K kJ B' A'
-93.225 48.541 7.650E-010 -9.116 -1208.58342 -4.77166314
-92.360 49.004 9.100E-010 -9.041 1.72838649 0.00540712
-91.701 49.464 1.078E-009 -8.967 0.99996523 0.00200742
-91.213 49.922 1.271E-009 -8.896 488957.977 17
-90.870 50.377 1.491E-009 -8.827 1.97036737 6.85054E-05
-90.649 50.831 1.741E-009 -8.759
-90.532 51.284 2.024E-009 -8.694
-90.508 51.736 2.341E-009 -8.631
-90.567 52.189 2.697E-009 -8.569
-90.703 52.642 3.091E-009 -8.510 B A
-90.913 53.096 3.528E-009 -8.452 0.09138899 23.1207713
-91.196 53.551 4.009E-009 -8.397 0.00011064 0.03588298
-91.537 54.008 4.535E-009 -8.343 0.99997508 0.01320802
-91.940 54.467 5.109E-009 -8.292 682224.276 17
-92.402 54.927 5.732E-009 -8.242 119.015264 0.00296568
-92.923 55.391 6.404E-009 -8.194
-93.501 55.857 7.126E-009 -8.147
-94.138 56.326 7.898E-009 -8.102
-94.833 56.798 8.721E-009 -8.059

= FeO(a) + 2H(+a)
deltaS deltaG K Log(K)
J/K kJ B' A'
-3.333 116.382 1.388E-022 -21.858 -5947.06394 -0.46357876
-3.898 116.400 3.350E-022 -21.475 6.00730797 0.01879339
-4.539 116.421 7.831E-022 -21.106 0.99998265 0.00697713
-5.225 116.446 1.776E-021 -20.751 980043.658 17
-5.935 116.474 3.914E-021 -20.407 47.7088734 0.00082757
-6.649 116.505 8.389E-021 -20.076
-7.354 116.540 1.752E-020 -19.756
-8.040 116.579 3.569E-020 -19.447
-8.701 116.621 7.101E-020 -19.149
-9.334 116.666 1.381E-019 -18.860 B A
-9.937 116.714 2.630E-019 -18.580 0.00909822 113.771132
-10.514 116.765 4.907E-019 -18.309 0.00035634 0.11556394
-11.062 116.819 8.979E-019 -18.047 0.97458537 0.04253746
-11.572 116.876 1.613E-018 -17.792 651.906034 17
-12.045 116.935 2.846E-018 -17.546 1.17958212 0.03076041
-12.479 116.996 4.939E-018 -17.306
-12.873 117.059 8.433E-018 -17.074
-13.226 117.125 1.418E-017 -16.848
-13.536 117.192 2.350E-017 -16.629
(-2)-H2O
278.15 298.15 368.15
5.84E-07 7.07E-06 5.18E-03
3.15E-05 1.45E-04 8.18E-03
1.21E-03 1.25E-02 6.05E+00
1.12E+07 2.59E+07 2.39E+08
1.11E+28 2.16E+27 2.84E+25

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


deltaS deltaG K Log(K)
J/K kJ B' A'
180.915 33.089 6.104E-007 -6.214 -4491.94361 9.91568553
182.431 32.180 1.156E-006 -5.937 8.72128997 0.02728388
183.722 31.265 2.148E-006 -5.668 0.99993592 0.01012926
184.849 30.343 3.916E-006 -5.407 265281.606 17
185.860 29.417 7.013E-006 -5.154 27.2183965 0.00174423
186.794 28.485 1.234E-005 -4.909
187.679 27.549 2.137E-005 -4.670
188.537 26.608 3.642E-005 -4.439
189.381 25.663 6.112E-005 -4.214
190.220 24.714 1.011E-004 -3.995 B A
191.054 23.761 1.650E-004 -3.783 -0.19014009 86.0933663
191.882 22.804 2.656E-004 -3.576 0.0005202 0.16870531
192.715 21.842 4.224E-004 -3.374 0.99987277 0.06209806
193.562 20.877 6.635E-004 -3.178 133599.934 17
194.426 19.907 1.031E-003 -2.987 515.183891 0.06555487
195.310 18.932 1.583E-003 -2.801
196.214 17.954 2.406E-003 -2.619
197.144 16.970 3.621E-003 -2.441
198.100 15.982 5.398E-003 -2.268
4(-a) = FeSO4 + H(+a)
deltaS deltaG K Log(K)
J/K kJ B' A'
86.081 23.770 3.435E-005 -4.464 -2747.03428 5.37467284
88.764 23.332 4.959E-005 -4.305 17.0206337 0.05324772
91.105 22.882 7.106E-005 -4.148 0.99934779 0.01976845
93.198 22.422 1.010E-004 -3.996 26048.1393 17
95.115 21.951 1.426E-004 -3.846 10.1793982 0.00664346
96.914 21.471 1.996E-004 -3.700
98.639 20.982 2.774E-004 -3.557
100.323 20.484 3.827E-004 -3.417
101.986 19.979 5.243E-004 -3.280
103.639 19.464 7.136E-004 -3.147 B A
105.288 18.942 9.651E-004 -3.015 -0.10352315 52.790976
106.928 18.412 1.297E-003 -2.887 0.00101616 0.32954981
108.574 17.873 1.733E-003 -2.761 0.99836473 0.12130266
110.244 17.326 2.304E-003 -2.638 10378.8483 17
111.942 16.770 3.045E-003 -2.516 152.717856 0.2501437
113.672 16.206 4.006E-003 -2.397
115.438 15.634 5.245E-003 -2.280
117.245 15.052 6.836E-003 -2.165
119.098 14.461 8.872E-003 -2.052

2a) = FeSO4
deltaS deltaG K Log(K)
J/K kJ B' A'
175.060 14.855 1.622E-003 -2.790 -4207.84819 12.2117133
184.828 13.955 2.664E-003 -2.575 55.868866 0.17478139
193.391 13.009 4.382E-003 -2.358 0.99701208 0.06488836
201.034 12.022 7.205E-003 -2.142 5672.57717 17
207.987 11.000 1.182E-002 -1.927 23.8843854 0.0715785
214.430 9.943 1.934E-002 -1.713
220.503 8.856 3.153E-002 -1.501
226.306 7.739 5.117E-002 -1.291
231.909 6.593 8.269E-002 -1.083
237.352 5.420 1.330E-001 -0.876 B A
242.652 4.220 2.129E-001 -0.672 -0.23585152 81.2213662
247.803 2.994 3.393E-001 -0.469 0.00331795 1.07603899
252.863 1.742 5.381E-001 -0.269 0.99664685 0.39607486
257.877 0.465 8.496E-001 -0.071 5052.86467 17
262.860 -0.837 1.335E+000 0.126 792.669621 2.66687996
267.824 -2.163 2.089E+000 0.320
272.783 -3.515 3.256E+000 0.513
277.751 -4.891 5.054E+000 0.704
282.741 -6.293 7.814E+000 0.893

4(-2a) + H(+a) = FeSO4 + H2O


deltaS deltaG K Log(K)
J/K kJ B' A'
183.526 -38.176 1.478E+007 7.170 -1512.85209 12.4871784
192.364 -39.116 1.647E+007 7.217 54.2487484 0.16971298
200.231 -40.098 1.859E+007 7.269 0.97860835 0.06300669
207.356 -41.117 2.123E+007 7.327 777.702494 17
213.921 -42.170 2.447E+007 7.389 3.08735722 0.06748734
220.072 -43.256 2.843E+007 7.454
225.920 -44.371 3.326E+007 7.522
231.544 -45.514 3.914E+007 7.593
237.002 -46.686 4.630E+007 7.666
242.325 -47.884 5.505E+007 7.741 B A
247.527 -49.109 6.573E+007 7.818 -0.24106565 29.6126131
252.604 -50.359 7.879E+007 7.896 0.00322544 1.04603806
257.600 -51.635 9.479E+007 7.977 0.99696585 0.38503194
262.554 -52.935 1.144E+008 8.059 5585.88537 17
267.477 -54.260 1.385E+008 8.142 828.105221 2.52024305
272.379 -55.610 1.683E+008 8.226
277.273 -56.984 2.049E+008 8.312
282.169 -58.383 2.502E+008 8.398
287.079 -59.806 3.063E+008 8.486
O4(-2a) + 3H(+a) = FeSO4 + 2H2O
deltaS deltaG K Log(K)
J/K kJ B' A'
271.617 -150.068 1.528E+028 28.184 2947.79917 17.4469552
281.086 -151.450 8.738E+027 27.941 63.0012624 0.19709453
289.631 -152.877 5.191E+027 27.715 0.99229465 0.07317222
297.473 -154.345 3.193E+027 27.504 2189.25969 17
304.791 -155.851 2.027E+027 27.307 11.7216765 0.09102095
311.727 -157.393 1.324E+027 27.122
318.389 -158.968 8.892E+026 26.949
324.854 -160.576 6.123E+026 26.787
331.177 -162.216 4.318E+026 26.635
337.389 -163.888 3.114E+026 26.493 B A
343.503 -165.590 2.294E+026 26.361 -0.33633885 -55.670688
349.514 -167.323 1.725E+026 26.237 0.00375284 1.21707718
355.462 -169.085 1.321E+026 26.121 0.99788799 0.44798904
361.390 -170.877 1.031E+026 26.013 8032.19336 17
367.307 -172.699 8.185E+025 25.913 1612.01444 3.41180101
373.226 -174.550 6.607E+025 25.820
379.158 -176.431 5.419E+025 25.734
385.115 -178.342 4.513E+025 25.654
391.110 -180.282 3.814E+025 25.581
CO2(a)-H2O Ligando
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

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
CO2(a) + H2O = H2CO3(a)
T deltaH deltaS deltaG K
K kJ J/K kJ
278.150 5.568 17.837 0.606 7.694E-001
283.150 4.092 12.579 0.530 7.983E-001
288.150 2.662 7.572 0.480 8.184E-001
293.150 1.265 2.767 0.454 8.300E-001
298.150 -0.105 -1.867 0.452 8.333E-001
303.150 -1.454 -6.354 0.473 8.290E-001
308.150 -2.787 -10.718 0.515 8.178E-001
∆�=𝐴+𝐵∗𝑇 313.150 -4.108 -14.970 0.580 8.004E-001
318.150 -5.419 -19.122 0.665 7.777E-001
323.150 -6.722 -23.185 0.771 7.506E-001
328.150 -8.018 -27.166 0.897 7.199E-001
333.150 -9.309 -31.071 1.042 6.864E-001
338.150 -10.596 -34.907 1.207 6.509E-001
343.150 -11.881 -38.677 1.391 6.141E-001
348.150 -13.163 -42.387 1.594 5.766E-001
353.150 -14.444 -46.040 1.815 5.389E-001
358.150 -15.725 -49.640 2.054 5.016E-001
363.150 -17.005 -53.191 2.311 4.651E-001
368.150 -18.286 -56.696 2.586 4.296E-001

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


T deltaH deltaS deltaG K
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) K kJ J/K kJ
278.150 10.816 -85.448 34.583 3.199E-007
283.150 10.480 -86.643 35.013 3.470E-007
288.150 10.209 -87.593 35.449 3.745E-007
293.150 9.986 -88.360 35.889 4.024E-007
298.150 9.799 -88.994 36.332 4.307E-007
303.150 9.637 -89.534 36.779 4.595E-007
308.150 9.491 -90.011 37.228 4.886E-007
313.150 9.356 -90.446 37.679 5.182E-007
318.150 9.227 -90.855 38.132 5.481E-007
∆�=𝐴+𝐵∗𝑇 323.150 9.101 -91.246 38.587 5.783E-007
328.150 8.979 -91.622 39.045 6.087E-007
333.150 8.860 -91.982 39.504 6.393E-007
338.150 8.740 -92.337 39.964 6.701E-007
343.150 8.617 -92.699 40.427 7.009E-007
348.150 8.490 -93.069 40.891 7.317E-007
353.150 8.356 -93.450 41.358 7.625E-007
358.150 8.215 -93.846 41.826 7.932E-007
363.150 8.066 -94.260 42.296 8.236E-007
368.150 7.907 -94.694 42.768 8.537E-007

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


T deltaH deltaS deltaG K
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
K kJ J/K kJ
278.150 20.630 -127.812 56.181 2.810E-011
283.150 18.936 -133.849 56.836 3.268E-011
288.150 17.408 -139.202 57.519 3.736E-011
293.150 16.005 -144.027 58.227 4.208E-011
298.150 14.698 -148.448 58.958 4.676E-011
303.150 13.461 -152.564 59.711 5.135E-011
308.150 12.273 -156.451 60.484 5.579E-011
313.150 11.120 -160.165 61.275 6.001E-011
318.150 9.990 -163.743 62.085 6.396E-011
∆�=𝐴+𝐵∗𝑇
323.150 8.879 -167.209 62.912 6.759E-011
328.150 7.783 -170.573 63.757 7.086E-011
333.150 6.706 -173.832 64.618 7.374E-011
338.150 5.636 -177.020 65.495 7.621E-011
343.150 4.566 -180.161 66.388 7.825E-011
348.150 3.494 -183.262 67.297 7.986E-011
353.150 2.418 -186.332 68.221 8.102E-011
358.150 1.334 -189.378 69.160 8.175E-011
363.150 0.242 -192.407 70.114 8.205E-011
368.150 -0.863 -195.428 71.084 8.194E-011

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

∆�=𝐴+𝐵∗𝑇
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

∆�=𝐴+𝐵∗𝑇

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

∆�=𝐴+𝐵∗𝑇

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

∆�=𝐴+𝐵∗𝑇
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

∆�=𝐴+𝐵∗𝑇
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

∆�=𝐴+𝐵∗𝑇
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)

Log(K)
B' A'
-0.114 296.688542 -1.09159287
-0.098 40.4767274 0.12662828
-0.087 0.75963841 0.04701131
-0.081 53.7267741 17
-0.079 0.11873958 0.03757108
-0.081
-0.087
-0.097 ∆�=𝐴+𝐵∗𝑇
-0.109
-0.125 B A
-0.143 0.02240939 -6.16668877
-0.163 0.00241064 0.78179093
-0.186 0.83561574 0.28776627
-0.212 86.4162276 17
-0.239 7.15607844 1.40776029
-0.268
-0.300
-0.332
-0.367

Log(K) log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)


B' A'
-6.495 -482.806364 -4.74879241
-6.460 4.34601041 0.01359615
-6.427 0.99862442 0.00504763
-6.395 12341.4006 17
-6.366 0.31444154 0.00043314
-6.338
-6.311
-6.285
-6.261 ∆�=𝐴+𝐵∗𝑇
-6.238 B A
-6.216 0.09106653 9.19029431
-6.194 0.00025658 0.08321067
-6.174 0.99986507 0.03062868
-6.154 125972.545 17
-6.136 118.176864 0.01594797
-6.118
-6.101
-6.084
-6.069

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
Log(K)
B' A'
-10.551 -517.204954 -8.61179679
-10.486 35.3808151 0.11068612
-10.428 0.92630889 0.04109271
-10.376 213.692699 17
-10.330 0.36084384 0.02870639
-10.289
-10.253
-10.222
∆�=𝐴+𝐵∗𝑇
-10.194
-10.170 B A
-10.150 0.16617401 9.47566876
-10.132 0.00210017 0.68110428
-10.118 0.99729195 0.25070493
-10.106 6260.59076 17
-10.098 393.496673 1.06850036
-10.091
-10.088
-10.086
-10.087
SO4(-2a)-H2O Ligando
k\T 278.15 298.15 368.15
LogK k1' 1.85E-02 4.88E-02 6.33E-01
k2' 2.60E-02 1.15E-02 1.35E-03

𝐴′ + 𝐵′ * (1⁄𝑇)
SO3(a) + H2O = HSO4(-a) + H(+a)
T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 35.697 94.834 9.319 1.777E-002 -1.750
283.150 35.370 93.667 8.848 2.331E-002 -1.632
288.150 35.070 92.617 8.382 3.022E-002 -1.520
293.150 34.789 91.651 7.922 3.876E-002 -1.412
298.150 34.521 90.745 7.466 4.919E-002 -1.308
303.150 34.261 89.880 7.014 6.184E-002 -1.209
308.150 34.005 89.040 6.567 7.704E-002 -1.113
313.150 33.748 88.214 6.124 9.516E-002 -1.022
318.150 33.490 87.396 5.685 1.166E-001 -0.933
323.150 33.228 86.580 5.250 1.417E-001 -0.849
328.150 32.963 85.767 4.819 1.709E-001 -0.767
333.150 32.695 84.955 4.392 2.048E-001 -0.689
338.150 32.422 84.141 3.969 2.437E-001 -0.613
343.150 32.142 83.318 3.551 2.880E-001 -0.541
348.150 31.853 82.484 3.136 3.384E-001 -0.471
353.150 31.556 81.638 2.726 3.951E-001 -0.403
358.150 31.250 80.777 2.320 4.588E-001 -0.338
363.150 30.933 79.898 1.918 5.297E-001 -0.276
368.150 30.605 79.001 1.521 6.084E-001 -0.216

𝐴′ + 𝐵′ * (1⁄𝑇)
HSO4(-a) = SO4(-2a) + H(+a)
T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -15.835 -88.979 8.914 2.117E-002 -1.674
283.150 -17.823 -96.064 9.377 1.862E-002 -1.730
288.150 -19.600 -102.285 9.874 1.622E-002 -1.790
293.150 -21.213 -107.836 10.399 1.402E-002 -1.853
298.150 -22.702 -112.872 10.951 1.206E-002 -1.919
303.150 -24.098 -117.516 11.527 1.032E-002 -1.986
308.150 -25.426 -121.863 12.126 8.798E-003 -2.056
313.150 -26.706 -125.983 12.746 7.479E-003 -2.126
318.150 -27.950 -129.923 13.385 6.341E-003 -2.198
323.150 -29.165 -133.713 14.045 5.366E-003 -2.270
328.150 -30.354 -137.364 14.722 4.532E-003 -2.344
333.150 -31.515 -140.876 15.418 3.823E-003 -2.418
338.150 -32.661 -144.290 16.131 3.221E-003 -2.492
343.150 -33.800 -147.634 16.861 2.712E-003 -2.567
348.150 -34.935 -150.918 17.607 2.281E-003 -2.642
353.150 -36.069 -154.152 18.370 1.917E-003 -2.717
358.150 -37.204 -157.345 19.149 1.611E-003 -2.793
363.150 -38.344 -160.506 19.943 1.353E-003 -2.869
368.150 -39.491 -163.643 20.754 1.135E-003 -2.945

𝐴′ + 𝐵′ * (1⁄𝑇)
S(-2a)-H2O Ligando
k\T 278.15
LogK k1' 5.50E-08
k2' 3.31E-14

log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇)
H2S(a) = HS(-a) + H(+a)
T deltaH deltaS
B' A' K kJ J/K
-1744.90933 4.54101269 278.150 28.984 -36.413
8.29983978 0.0259654 283.150 27.131 -43.019
0.99961552 0.00963977 288.150 25.458 -48.876
44198.3758 17 293.150 23.922 -54.160
4.10714157 0.00157973 298.150 22.492 -59.000
303.150 21.141 -63.494
308.150 19.849 -67.719
∆�=𝐴+𝐵∗𝑇 313.150 18.603 -71.731
318.150 17.391 -75.572
B A 323.150 16.205 -79.269
-0.08661694 33.3023904 328.150 15.042 -82.841
0.00049599 0.16085276 333.150 13.899 -86.298
0.99944289 0.05920765 338.150 12.770 -89.663
30497.5541 17 343.150 11.647 -92.958
106.910556 0.05959427 348.150 10.529 -96.194
353.150 9.412 -99.380
358.150 8.293 -102.525
363.150 7.171 -105.636
368.150 6.043 -108.723

HS(-a) = S(-2a) + H(+a)


T deltaH deltaS
log𝐾 = 𝐴′ + 𝐵′ * (1⁄𝑇) K kJ J/K
B' A' 278.150 49.081 -82.074
1460.81391 -6.83704045 283.150 49.334 -81.172
38.8631899 0.12158046 288.150 49.421 -80.864
0.9881111 0.04513728 293.150 49.370 -81.039
1412.9048 17 298.150 49.204 -81.602
2.878616 0.03463536 303.150 48.941 -82.476
308.150 48.598 -83.599
313.150 48.187 -84.921
318.150 47.719 -86.405
∆�=𝐴+𝐵∗𝑇 323.150 47.200 -88.022
B A 328.150 46.636 -89.753
0.13232837 -28.4303903 333.150 46.030 -91.587
0.0023027 0.74678531 338.150 45.389 -93.496
0.9948786 0.2748812 343.150 44.721 -95.457
3302.40786 17 348.150 44.030 -97.456
249.528857 1.28451443 353.150 43.320 -99.482
358.150 42.594 -101.523
363.150 41.855 -103.570
368.150 41.109 -105.612
298.15 368.15
9.10E-08 3.44E-07
1.30E-13 4.83E-12

deltaG K Log(K)
kJ B' A'
39.113 4.511E-008 -7.346 -906.306208 -4.00105156
39.312 5.589E-008 -7.253 37.8670111 0.11846399
39.542 6.784E-008 -7.169 0.97117827 0.04398028
39.799 8.087E-008 -7.092 572.832771 17
40.082 9.487E-008 -7.023 1.10801045 0.03288251
40.389 1.097E-007 -6.960
40.717 1.252E-007 -6.903
41.066 1.411E-007 -6.850
41.434 1.573E-007 -6.803
41.821 1.735E-007 -6.761 B A
42.226 1.896E-007 -6.722 0.07800319 16.8946244
42.649 2.053E-007 -6.688 0.00224519 0.72813355
43.089 2.205E-007 -6.657 0.98611148 0.26801574
43.546 2.349E-007 -6.629 1207.03259 17
44.019 2.484E-007 -6.605 86.7040954 1.22115147
44.508 2.608E-007 -6.584
45.012 2.720E-007 -6.565
45.533 2.819E-007 -6.550
46.069 2.904E-007 -6.537

deltaG K Log(K)
kJ B' A'
71.910 3.124E-014 -13.505 -2462.0669 -4.62828699
72.318 4.549E-014 -13.342 14.8828026 0.04655969
72.722 6.547E-014 -13.184 0.9993792 0.01728549
73.127 9.308E-014 -13.031 27367.1931 17
73.534 1.307E-013 -12.884 8.17699334 0.0050794
73.944 1.811E-013 -12.742
74.359 2.480E-013 -12.606
74.780 3.353E-013 -12.475
75.208 4.478E-013 -12.349
75.644 5.911E-013 -12.228 B A
76.089 7.714E-013 -12.113 0.08915251 46.9523888
76.542 9.954E-013 -12.002 0.00090918 0.29485316
77.005 1.270E-012 -11.896 0.99823514 0.10853131
77.477 1.605E-012 -11.795 9615.49984 17
77.959 2.006E-012 -11.698 113.261414 0.20024378
78.452 2.484E-012 -11.605
78.954 3.047E-012 -11.516
79.467 3.705E-012 -11.431
79.990 4.465E-012 -11.350
LogK
278.15 298.15 368.15 A
H2CO3(a) = HCO3(-a) + H(+a) -6.495 -6.366 -6.069 -4.74879241
HCO3(-a) = CO3(-2a) + H(+a) -10.551 -10.330 -10.087 -8.61179679

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


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

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


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

Puntos de intersección

T(°C) [H2CO3]/[HCO3-] [HCO3-]/[CO3(-2)]


5 6.4845693793 10.4712429665
25 6.3681328896 10.3465107058
95 6.06023167 10.016672395
5°C 25°C 95°C 5°C 25°C 95°C
K(HSC) K(calculado)
B 278.15 298.15 368.15 278.15 298.15 368.15
-482.806364 3.199E-007 4.307E-007 8.537E-007 3.276654E-07 4.284174E-07 8.704991048E-07
-517.204954 2.810E-011 4.676E-011 8.194E-011 3.378758E-11 4.502869E-11 9.62337933E-11

)
Log(K) 1/T DG=A+BT
K^-1 A B r2
-6.495 0.004 9.19029431 0.09106653 0.99986507
-6.460 0.004
-6.427 0.003 0.0910665321 9.190294312
-6.395 0.003 0.0002565788 0.083210669
-6.366 0.003 0.9998650682 0.03062868
-6.338 0.003 125972.545414 17
-6.311 0.003 118.1768641 0.015947972
-6.285 0.003
-6.261 0.003 logk=A+B(1/T)
-6.238 0.003 A B r2
-6.216 0.003 -4.74879241 -482.806364 0.99862442
-6.194 0.003
-6.174 0.003 -482.80636438 -4.748792411
-6.154 0.003 4.3460104109 0.013596154
-6.136 0.003 0.9986244175 0.005047633
-6.118 0.003 12341.4005534 17
-6.101 0.003 0.3144415421 0.000433136
-6.084 0.003
-6.069 0.003

Log(K) 1/T DG=A+BT


A B r2
-10.551 0.004 9.47566876 0.16617401 0.99729195
-10.486 0.004
-10.428 0.003 0.1661740101 9.475668764
-10.376 0.003 0.0021001748 0.681104277
-10.330 0.003 0.9972919547 0.25070493
-10.289 0.003 6260.59075863 17 DIAGRAMA D
-10.253 0.003 393.496673473 1.068500355 1
-10.222 0.003 0.9
-10.194 0.003 0.8
-10.170 0.003 logk=A+B(1/T) 0.7
-10.150 0.003 A B r2 0.6
-10.132 0.003 -8.61179679 -517.204954 0.92630889 0.5
0.4
-10.118 0.003
0.3
-10.106 0.003 -517.20495447 -8.611796792
0.2
-10.098 0.003 35.3808151347 0.110686119
0.1
-10.091 0.003 0.9263088946 0.041092712
0
-10.088 0.003 213.692698939 17 0 2 4
-10.086 0.003 0.3608438416 0.028706387 [H2CO3]%
-10.087 0.003

Constantes ideales T=5°C

H2CO3(a) = HCO3(-a) + H(+a) K1 = 3.198937E-07


HCO3(-a) = CO3(-2a) + H(+a) K2 = 2.809709E-11

A= 0.49472
I= 0.1

carga Log(ϒi) ϒi
H2CO3 0 0.01 1.023292992
HCO3(-a -1 -0.1089636004 0.778101763
H(+a) 1 -0.1089636004 0.778101763
CO3(-2a) -2 -0.4358544018 0.366560444

Constantes reales
H2CO3(a) = HCO3(-a) + H(+a) K1 = 1.892685E-07
HCO3(-a) = CO3(-2a) + H(+a) K2 = 1.029928E-11
A= 0.49472
I= 0.01

carga Log(ϒi) ϒi
H2CO3 0 0.001 1.002305238
HCO3(-a -1 -0.1089636004 0.778101763
H(+a) 1 -0.1089636004 0.778101763
CO3(-2a) -2 -0.4358544018 0.366560444

Constantes reales
H2CO3(a) = HCO3(-a) + H(+a) K1 = 1.932317E-07
HCO3(-a) = CO3(-2a) + H(+a) K2 = 1.0299E-11
A= 0.49472
I= 0.001

carga Log(ϒi) ϒi
H2CO3 0 0.0001 1.000230285
HCO3(-a -1 -0.1089636004 0.778101763
H(+a) 1 -0.1089636004 0.778101763
CO3(-2a) -2 -0.4358544018 0.366560444

Constantes reales
H2CO3(a) = HCO3(-a) + H(+a) K1 = 1.936326E-07
HCO3(-a) = CO3(-2a) + H(+a) K2 = 1.029928E-11
5°C 25°C
PORCENTAJES

Ph [H+] [H2CO3]% [HCO3-]% [CO3-2] Ph


0 1 100% 0% 0.00% 0
0.5 0.31622777 100% 0.00% 0.00% 0.5
1 0.1 100% 0.00% 0.00% 1
1.5 0.03162278 100% 0.00% 0.00% 1.5
2 0.01 100% 0.00% 0.00% 2
2.5 0.00316228 100% 0.01% 0.00% 2.5
3 0.001 100% 0.03% 0.00% 3
3.5 0.00031623 100% 0.10% 0.00% 3.5
4 0.0001 100% 0.32% 0.00% 4
4.5 3.1623E-05 99% 1.00% 0.00% 4.5
5 0.00001 97% 3.10% 0.00% 5
5.5 3.1623E-06 91% 9.19% 0.00% 5.5
6 0.000001 76% 24.24% 0.00% 6
6.5 3.1623E-07 50% 50.29% 0.00% 6.5
7 0.0000001 24% 76.17% 0.02% 7
7.5 3.1623E-08 9% 90.93% 0.08% 7.5
8 0.00000001 3% 96.71% 0.27% 8
8.5 3.1623E-09 1% 98.16% 0.87% 8.5
9 1E-09 0% 96.97% 2.72% 9
9.5 3.1623E-10 0% 91.76% 8.15% 9.5
10 1E-10 0% 78.05% 21.93% 10
10.5 3.1623E-11 0% 52.95% 47.05% 10.5
11 1E-11 0% 26.25% 73.75% 11
11.5 3.1623E-12 0% 10.12% 89.88% 11.5
12 1E-12 0% 3.44% 96.56% 12
12.5 3.1623E-13 0% 1.11% 98.89% 12.5
13 1E-13 0% 0.35% 99.65% 13
13.5 3.1623E-14 0% 0.11% 99.89% 13.5
14 1E-14 0% 0.04% 99.96% 14
DIAGRAMA DE PREDOMINANCIA(5°C) DIAGRAMA DE PREDO
1
0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0
0 2 4 6 8 10 12 14 0 2 4 6

[H2CO3]% [HCO3-]% [CO3-2] [H2CO3]% [HC

∑[CO32-] =

5°C
PORCENTAJES
Ph [H+] [H2CO3]% [HCO3-]% [CO3-2]

0 1 100% 0% 0%
0.5 0.316227766 100% 0% 0%
1 0.1 100% 0% 0%
1.5 0.031622777 100% 0% 0%
2 0.01 100% 0% 0%
2.5 0.003162278 100% 0% 0%
3 0.001 100% 0% 0%
3.5 0.000316228 100% 0% 0%
4 0.0001 100% 0% 0%
4.5 3.162278E-05 99% 1% 0%
5 0.00001 98% 2% 0%
5.5 3.162278E-06 94% 6% 0%
6 0.000001 84% 16% 0%
6.5 3.162278E-07 63% 37% 0%
7 0.0000001 35% 65% 0%
7.5 3.162278E-08 14% 86% 0%
8 0.00000001 5% 95% 0%
8.5 3.162278E-09 2% 98% 0%
9 0.000000001 1% 98% 1%
9.5 3.162278E-10 0% 97% 3%
10 1E-10 0% 91% 9%
10.5 3.162278E-11 0% 75% 25%
11 1E-11 0% 49% 51%
11.5 3.162278E-12 0% 23% 77%
12 1E-12 0% 9% 91%
12.5 3.162278E-13 0% 3% 97%
13 1E-13 0% 1% 99%
13.5 3.162278E-14 0% 0% 100%
14 1E-14 0% 0% 100%

5°C
PORCENTAJES
Ph [H+] [H2CO3]% [HCO3-]% [CO3-2]%

0 1 100% 0% 0%
0.5 0.316227766 100% 0% 0%
1 0.1 100% 0% 0%
1.5 0.031622777 100% 0% 0%
2 0.01 100% 0% 0%
2.5 0.003162278 100% 0% 0%
3 0.001 100% 0% 0%
3.5 0.000316228 100% 0% 0%
4 0.0001 100% 0% 0%
4.5 3.162278E-05 99% 1% 0%
5 0.00001 98% 2% 0%
5.5 3.162278E-06 94% 6% 0%
6 0.000001 84% 16% 0%
6.5 3.162278E-07 63% 38% 0%
7 0.0000001 35% 67% 0%
7.5 3.162278E-08 14% 87% 0%
8 0.00000001 5% 97% 0%
8.5 3.162278E-09 2% 100% 0%
9 0.000000001 1% 101% 1%
9.5 3.162278E-10 0% 99% 3%
10 1E-10 0% 93% 10%
10.5 3.162278E-11 0% 77% 25%
11 1E-11 0% 50% 52%
11.5 3.162278E-12 0% 24% 78%
12 1E-12 0% 9% 93%
12.5 3.162278E-13 0% 3% 99%
13 1E-13 0% 1% 101%
13.5 3.162278E-14 0% 0% 102%
14 1E-14 0% 0% 102%

5°C
PORCENTAJES
Ph [H+] [H2CO3]% [HCO3-]% [CO3-2]

0 1 100% 0% 0%
0.5 0.316227766 100% 0% 0%
1 0.1 100% 0% 0%
1.5 0.031622777 100% 0% 0%
2 0.01 100% 0% 0%
2.5 0.003162278 100% 0% 0%
3 0.001 100% 0% 0%
3.5 0.000316228 100% 0% 0%
4 0.0001 100% 0% 0%
4.5 3.162278E-05 99% 1% 0%
5 0.00001 98% 2% 0%
5.5 3.162278E-06 94% 6% 0%
6 0.000001 84% 16% 0%
6.5 3.162278E-07 62% 37% 0%
7 0.0000001 34% 64% 0%
7.5 3.162278E-08 14% 84% 0%
8 0.00000001 5% 93% 0%
8.5 3.162278E-09 2% 96% 0%
9 0.000000001 1% 96% 1%
9.5 3.162278E-10 0% 95% 3%
10 1E-10 0% 89% 9%
10.5 3.162278E-11 0% 74% 24%
11 1E-11 0% 48% 50%
11.5 3.162278E-12 0% 23% 75%
12 1E-12 0% 9% 89%
12.5 3.162278E-13 0% 3% 95%
13 1E-13 0% 1% 97%
13.5 3.162278E-14 0% 0% 97%
14 1E-14 0% 0% 98%
25°C 95°C
PORCENTAJES

[H+] [H2CO3]% [HCO3-]% [CO3-2] Ph [H+]


1 100.00% 0.00% 0.00% 0 1
0.31622777 100.00% 0.00% 0.00% 0.5 0.31622777
0.1 100.00% 0.00% 0.00% 1 0.1
0.03162278 100.00% 0.00% 0.00% 1.5 0.03162278
0.01 100.00% 0.00% 0.00% 2 0.01
0.00316228 99.99% 0.01% 0.00% 2.5 0.00316228
0.001 99.96% 0.04% 0.00% 3 0.001
0.00031623 99.86% 0.14% 0.00% 3.5 0.00031623
0.0001 99.57% 0.43% 0.00% 4 0.0001
3.1623E-05 98.66% 1.34% 0.00% 4.5 3.1623E-05
0.00001 95.87% 4.13% 0.00% 5 0.00001
3.1623E-06 88.01% 11.99% 0.00% 5.5 3.1623E-06
0.000001 69.89% 30.10% 0.00% 6 0.000001
3.1623E-07 42.33% 57.66% 0.01% 6.5 3.1623E-07
0.0000001 18.84% 81.13% 0.04% 7 0.0000001
3.1623E-08 6.83% 93.03% 0.14% 7.5 3.1623E-08
0.00000001 2.26% 97.29% 0.45% 8 0.00000001
3.1623E-09 0.72% 97.83% 1.45% 8.5 3.1623E-09
1E-09 0.22% 95.32% 4.46% 9 1E-09
3.1623E-10 0.06% 87.06% 12.87% 9.5 3.1623E-10
1E-10 0.02% 68.13% 31.86% 10 1E-10
3.1623E-11 0.00% 40.34% 59.66% 10.5 3.1623E-11
1E-11 0.00% 17.62% 82.38% 11 1E-11
3.1623E-12 0.00% 6.33% 93.67% 11.5 3.1623E-12
1E-12 0.00% 2.09% 97.91% 12 1E-12
3.1623E-13 0.00% 0.67% 99.33% 12.5 3.1623E-13
1E-13 0.00% 0.21% 99.79% 13 1E-13
3.1623E-14 0.00% 0.07% 99.93% 13.5 3.1623E-14
1E-14 0.00% 0.02% 99.98% 14 1E-14
DIAGRAMA DE PREDOMINANCIA(25°C) DIAGRAMA DE PREDOMINANCI
1
0.9
0.8
0.7
0.6
0.5
0.4
0.3
0.2
0.1
0
2 4 6 8 10 12 14 0 2 4 6 8
[H2CO3]% [HCO3-]% [CO3-2] [H2CO3]% [HCO3-]% [

0.001

log[H2CO3] log[HCO3-] log[CO32-] DIAGRAMA DE PREDOMINANCIA(5


120%
-3.0000001 -9.7229216 -20.7101146883
-3.0000003 -9.2229218 -19.710114866 100%
-3.0000008 -8.7229224 -18.7101154281
-3.0000026 -8.2229242 -17.7101172054 80%
-3.0000082 -7.7229298 -16.7101228258
Axis Title

-3.000026 -7.2229476 -15.7101405987 60%


-3.0000822 -6.7230038 -14.7101967966
-3.0002599 -6.2231814 -13.7103744621 40%
-3.0008212 -5.7237428 -12.7109358121
-3.0025916 -5.2255132 -11.712706197 20%
-3.008143 -4.7310646 -10.7182576227
-3.0252453 -4.2481669 -9.7353598964 0%
-3.0752806 -3.7982022 -8.7853952486 0 2 4 6 8 10
-3.2037233 -3.4266448 -7.9138378887 [H2CO3]% [HCO3-]% [CO3-2
-3.4613305 -3.184252 -7.1714450756
-3.8442998 -3.0672214 -6.5544144304
-4.2998634 -3.0227849 -6.0099779834 Diagrama de Bjerrum (5°C)
-4.7856636 -3.0085852 -5.4957782262
0
0 2 4 6 8 10

-5

-10
Diagrama de Bjerrum (5°C)
0
-5.2837938 -3.0067153 -4.9939083676 0 2 4 6 8 10
-5.7916998 -3.0146213 -4.5018143605
-5
-6.3198591 -3.0427807 -4.029973709
-6.8995758 -3.1224973 -3.6096903738 -10
-7.5845704 -3.307492 -3.2946850253
-8.4061755 -3.6290971 -3.1162901326 -15
-9.3301295 -4.0530511 -3.0402441001
-10.303019 -4.5259409 -3.0131339259 -20
-11.294082 -5.0170034 -3.0041964078
-12.291217 -5.5141384 -3.0013314092 -25
-13.290307 -6.0132284 -3.00042147 l og[H2CO3] l og[HCO3-] l og[CO

log[H2CO3] log[HCO3-] log[CO32-]

-3.0000001 -9.7139216 -20.7011146883


-3.0000003 -9.2139218 -19.701114866 DIAGRAMA DE PREDOMINANCIA(5
-3.0000008 -8.7139224 -18.7011154281 120%
-3.0000026 -8.2139242 -17.7011172054
-3.0000082 -7.7139298 -16.7011228258 100%
-3.000026 -7.2139476 -15.7011405987
-3.0000822 -6.7140038 -14.7011967966 80%
-3.0002599 -6.2141814 -13.7013744621
Axis Title

-3.0008212 -5.7147428 -12.7019358121 60%


-3.0025916 -5.2165132 -11.703706197
-3.008143 -4.7220646 -10.7092576227 40%
-3.0252453 -4.2391669 -9.7263598964
-3.0752806 -3.7892022 -8.7763952486 20%
-3.2037233 -3.4176448 -7.9048378887
-3.4613305 -3.175252 -7.1624450756
0%
-3.8442998 -3.0582214 -6.5454144304 0 2 4 6 8 10
-4.2998634 -3.0137849 -6.0009779834 [H2CO3]% [HCO3-]% [CO3-2
-4.7856636 -2.9995852 -5.4867782262
-5.2837938 -2.9977153 -4.9849083676
-5.7916998 -3.0056213 -4.4928143605
-6.3198591 -3.0337807 -4.020973709 Diagrama de Bjerrum (5°C)
-6.8995758 -3.1134973 -3.6006903738 0
-7.5845704 -3.298492 -3.2856850253 0 2 4 6 8 10
-8.4061755 -3.6200971 -3.1072901326 -5
-9.3301295 -4.0440511 -3.0312441001
-10.303019 -4.5169409 -3.0041339259 -10
-11.294082 -5.0080034 -2.9951964078
-15

-20
-5

-10

-12.291217 -5.5051384 -2.9923314092 -15


-13.290307 -6.0042284 -2.99142147
-20

-25
l og[H2CO3] l og[HCO3-] l og[CO

log[H2CO3] log[HCO3-] log[CO32-]

-3.0000001 -9.7229217 -20.7101146902


-3.0000003 -9.2229218 -19.710114872 DIAGRAMA DE PREDOMINANCIA(5
-3.0000008 -8.7229224 -18.710115447 120%
-3.0000027 -8.2229242 -17.7101172654
-3.0000084 -7.72293 -16.7101230154 100%
-3.0000266 -7.2229482 -15.710141198
-3.0000841 -6.7230057 -14.7101986915 80%
-3.0002658 -6.2231874 -13.7103804519 Axis Title
-3.0008401 -5.7237617 -12.7109547287 60%
-3.0026512 -5.2255727 -11.7127657703
-3.008329 -4.7312506 -10.7184435904 40%
-3.0258104 -4.248732 -9.7359250241
-3.0768714 -3.799793 -8.7869859961 20%
-3.2074566 -3.4303782 -7.9175712145
-3.4678337 -3.1907553 -7.1779483427
0%
-3.8527967 -3.0757183 -6.5629113061 0 2 4 6 8 10
-4.3092724 -3.0321939 -6.0193869888 [H2CO3]% [HCO3-]% [CO3-2
-4.7954033 -3.0183248 -5.5055178606
-5.2936428 -3.0165644 -5.0037574431
-5.8015839 -3.0245055 -4.511698548
-6.3297544 -3.052676 -4.0398690226 Diagrama de Bjerrum (5°C)
-6.9094745 -3.1323961 -3.6195891403 0
0 2 4 6 8 10 1
-7.5944702 -3.3173917 -3.3045847706
-8.4160755 -3.6389971 -3.1261900942 -5
-9.3400295 -4.0629511 -3.0501440956
-10.312919 -4.5358409 -3.0230339255 -10
-11.303982 -5.0269034 -3.0140964078
-12.301117 -5.5240384 -3.0112314092 -15
-13.300207 -6.0231284 -3.01032147
-20

-25
l og[H2CO3] l og[HCO3-] l og[CO3
∑[CO32-] = 0.001

95°C
PORCENTAJES 25°C

[H2CO3]% [HCO3-]% [CO3-2] Ph [H+] log[H2CO3] log[HCO3-]


100.00% 0.00% 0.00% 0 1 -3.000000187 -9.3658219
100.00% 0.00% 0.00% 0.5 0.31622777 -3.000000592 -8.8658223
100.00% 0.00% 0.00% 1 0.1 -3.000001871 -8.3658236
100.00% 0.00% 0.00% 1.5 0.03162278 -3.000005915 -7.8658276
99.99% 0.01% 0.00% 2 0.01 -3.000018705 -7.3658404
99.97% 0.03% 0.00% 2.5 0.00316228 -3.000059147 -6.8658808
99.91% 0.09% 0.00% 3 0.001 -3.000187012 -6.3660087
99.73% 0.27% 0.00% 3.5 0.00031623 -3.000591108 -5.8664128
99.15% 0.85% 0.00% 4 0.0001 -3.001866505 -5.3676882
97.37% 2.63% 0.00% 4.5 3.1623E-05 -3.005875196 -4.8716969
92.13% 7.87% 0.00% 5 0.00001 -3.018313681 -4.3841354
78.74% 21.26% 0.00% 5.5 3.1623E-06 -3.055455699 -3.9212774
53.94% 46.05% 0.00% 6 0.000001 -3.155555726 -3.5213774
27.02% 72.96% 0.02% 6.5 3.1623E-07 -3.373317618 -3.2391393
10.48% 89.45% 0.07% 7 0.0000001 -3.725016667 -3.0908384
3.56% 96.19% 0.25% 7.5 3.1623E-08 -4.165546372 -3.0313681
1.15% 98.05% 0.80% 8 0.00000001 -4.646126677 -3.0119484
0.36% 97.12% 2.52% 8.5 3.1623E-09 -5.143684329 -3.009506
0.11% 92.33% 7.56% 9 1E-09 -5.654988691 -3.0208104
0.03% 79.40% 20.57% 9.5 3.1623E-10 -6.194350987 -3.0601727
0.01% 54.96% 45.03% 10 1E-10 -6.800862109 -3.1666838
0.00% 27.85% 72.15% 10.5 3.1623E-11 -7.528425664 -3.3942474
0.00% 10.88% 89.12% 11 1E-11 -8.388241594 -3.7540633
0.00% 3.72% 96.28% 11.5 3.1623E-12 -9.332494642 -4.1983163
0.00% 1.21% 98.79% 12 1E-12 -10.31326537 -4.6790871
0.00% 0.38% 99.62% 12.5 3.1623E-13 -11.30700302 -5.1728247
0.00% 0.12% 99.88% 13 1E-13 -12.30500375 -5.6708254
0.00% 0.04% 99.96% 13.5 3.1623E-14 -13.30436961 -6.1701913
0.00% 0.01% 99.99% 14 1E-14 -14.30416888 -6.6699906
Diagrama de Bjerrum (25°C)
RAMA DE PREDOMINANCIA(95°C) 0
0 2 4 6 8 10 12

-5

-10

-15

4 6 8 10 12 14 -20
[H2CO3]% [HCO3-]% [CO3-2] l og[H2CO3] l og[HCO3-] l og[CO32-]

-25

MA DE PREDOMINANCIA(5°C
H2CO3(a) = HCO3(-a) + H(+a)
HCO3(-a) = CO3(-2a) + H(+a)

A=
I=

H2CO3
6 8 10 12 14 16 HCO3(-a)
CO3]% [HCO3-]% [CO3-2] H(+a)
CO3(-2a)

grama de Bjerrum (5°C)


H2CO3(a) = HCO3(-a) + H(+a)
6 8 10 12 14 16
grama de Bjerrum (5°C)
6 8 10 12 14 16 HCO3(-a) = CO3(-2a) + H(+a)

CO3] l og[HCO3-] l og[CO32-]

A=
I=

H2CO3
HCO3(-a)
MA DE PREDOMINANCIA(5°C) H(+a)
CO3(-2a)

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


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

6 8 10 12 14 16
CO3]% [HCO3-]% [CO3-2]

grama de Bjerrum (5°C)


6 8 10 12 14 16
CO3] l og[HCO3-] l og[CO32-] A=
I=

H2CO3
HCO3(-a)
H(+a)
MA DE PREDOMINANCIA(5°C CO3(-2a)

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


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

6 8 10 12 14 16
CO3]% [HCO3-]% [CO3-2]

rama de Bjerrum (5°C)


6 8 10 12 14 16

O3] l og[HCO3-] l og[CO32-]


5°C

log[CO32-] Ph [H+] log[H2CO3] log[HCO3-] log[CO32-]


-19.69592417 0 1 -3.00000014 -9.4949945 -20.046333
-18.69592457 0.5 0.31622777 -3.00000044 -8.9949948 -19.046333
-17.69592585 1 0.1 -3.00000139 -8.4949958 -18.046334
-16.69592989 1.5 0.03162278 -3.00000439 -7.9949988 -17.046337
-15.69594268 2 0.01 -3.00001389 -7.4950083 -16.046347
-14.69598313 2.5 0.00316228 -3.00004393 -6.9950383 -15.046377
-13.69611099 3 0.001 -3.00013891 -6.4951333 -14.046472
-12.69651509 3.5 0.00031623 -3.00043911 -5.9954335 -13.046772
-11.69779048 4 0.0001 -3.00138706 -5.4963814 -12.04772
-10.70179917 4.5 3.1623E-05 -3.00437122 -4.9993656 -11.050704
-9.714237659 5 0.00001 -3.01367526 -4.5086696 -10.060008
-8.751379678 5.5 3.1623E-06 -3.04185049 -4.0368449 -9.0881835
-7.851479705 6 0.000001 -3.1205419 -3.6155363 -8.1668749
-7.069241596 6.5 3.1623E-07 -3.30355943 -3.2985538 -7.3498924
-6.420940646 7 0.0000001 -3.62323227 -3.1182266 -6.6695653
-5.861470351 7.5 3.1623E-08 -4.04629666 -3.041291 -6.0926297
-5.342050656 8 0.00000001 -4.51955561 -3.01455 -5.5658886
-4.839608308 8.5 3.1623E-09 -5.01308199 -3.0080764 -5.059415
-4.35091267 9 1E-09 -5.51835828 -3.0133526 -4.5646913
-3.890274965 9.5 3.1623E-10 -6.04236812 -3.0373625 -4.0887011
-3.496786087 10 1E-10 -6.61265087 -3.1076452 -3.6589839
-3.224349642 10.5 3.1623E-11 -7.2811472 -3.2761416 -3.3274802
-3.084165572 11 1E-11 -8.08590102 -3.5808954 -3.132234
-3.028418621 11.5 3.1623E-12 -8.99998627 -3.9949806 -3.0463193
-3.009189351 12 1E-12 -9.96885526 -4.4638496 -3.0151883
-3.002926999 12.5 3.1623E-13 -10.9585276 -4.953522 -3.0048606
-3.000927732 13 1E-13 -11.9552099 -5.4502043 -3.0015429
-3.000293589 13.5 3.1623E-14 -12.9541555 -5.9491499 -3.0004885
-3.000092862 14 1E-14 -13.9538215 -6.4488159 -3.0001545
de Bjerrum (25°C) Diagrama de Bjerrum (5°C)
8 10 12 14 16 0
0 2 4 6 8 10 12 14

-5

-10

-15

-20
og[HCO3-] l og[CO32-]
l og[H2CO3] l og[HCO3-] l og[CO32-]

-25

25°C
Constantes ideales T=25°C
Ph [H+]
2CO3(a) = HCO3(-a) + H(+a) K1 = 4.307034E-07
CO3(-a) = CO3(-2a) + H(+a) K2 = 4.67625E-11 0 1
0.5 0.31622777
1 0.1
1.5 0.03162278
2 0.01
2.5 0.00316228
3 0.001
0.5092 3.5 0.00031623
0.1 4 0.0001
4.5 3.1623E-05
carga Log(ϒi) ϒi 5 0.00001
0 0.01 1.02329299 5.5 3.1623E-06
-1 -0.1121529 0.77240866 6 0.000001
1 -0.1121529 0.77240866 6.5 3.1623E-07
-2 -0.4486115 0.35594963 7 0.0000001
7.5 3.1623E-08
Constantes reales 8 0.00000001
2CO3(a) = HCO3(-a) + H(+a) K1 = 2.51115E-07 8.5 3.1623E-09
CO3(-a) = CO3(-2a) + H(+a) K2 = 1.664509E-11 9 1E-09
9.5 3.1623E-10
10 1E-10
10.5 3.1623E-11
11 1E-11
11.5 3.1623E-12
12 1E-12
12.5 3.1623E-13
13 1E-13
13.5 3.1623E-14
14 1E-14

0.5092
0.01 25°C

carga Log(ϒi) ϒi Ph [H+]


0 0.001 1.00230524
-1 -0.0452725 0.9010056 0 1
1 -0.0452725 0.9010056 0.5 0.31622777
-2 -0.18109 0.65903725 1 0.1
1.5 0.03162278
Constantes reales 2 0.01
2CO3(a) = HCO3(-a) + H(+a) K1 = 3.488456E-07 2.5 0.00316228
CO3(-a) = CO3(-2a) + H(+a) K2 = 2.838496E-07 3 0.001
3.5 0.00031623
4 0.0001
4.5 3.1623E-05
5 0.00001
5.5 3.1623E-06
6 0.000001
6.5 3.1623E-07
7 0.0000001
7.5 3.1623E-08
8 0.00000001
8.5 3.1623E-09
9 1E-09
9.5 3.1623E-10
10 1E-10
10.5 3.1623E-11
11 1E-11
11.5 3.1623E-12
12 1E-12
12.5 3.1623E-13
13 1E-13
13.5 3.1623E-14
14 1E-14

0.5092 25°C
0.001
Ph [H+]
carga Log(ϒi) ϒi
0 0.0001 1.00023029 0 1
-1 -0.0155069 0.96492401 0.5 0.31622777
1 -0.0155069 0.96492401 1 0.1
-2 -0.0620275 0.86690689 1.5 0.03162278
2 0.01
Constantes reales 2.5 0.00316228
2CO3(a) = HCO3(-a) + H(+a) K1 = 4.009263E-07 3 0.001
CO3(-a) = CO3(-2a) + H(+a) K2 = 4.053873E-11 3.5 0.00031623
4 0.0001
4.5 3.1623E-05
5 0.00001
5.5 3.1623E-06
6 0.000001
6.5 3.1623E-07
7 0.0000001
7.5 3.1623E-08
8 0.00000001
8.5 3.1623E-09
9 1E-09
9.5 3.1623E-10
10 1E-10
10.5 3.1623E-11
11 1E-11
11.5 3.1623E-12
12 1E-12
12.5 3.1623E-13
13 1E-13
13.5 3.1623E-14
14 1E-14
95°C

Ph [H+] log[H2CO3] log[HCO3-]


0 1 -3.0000004 -9.0686767
0.5 0.31622777 -3.0000012 -8.5686775
1 0.1 -3.0000037 -8.0686801
1.5 0.03162278 -3.0000117 -7.5686881
2 0.01 -3.0000371 -7.0687134
2.5 0.00316228 -3.0001172 -6.5687936
3 0.001 -3.0003706 -6.069047
3.5 0.00031623 -3.0011709 -5.5698473
4 0.0001 -3.003692 -5.0723684
4.5 3.1623E-05 -3.0115694 -4.5802458
5 0.00001 -3.0355795 -4.1042559
5.5 3.1623E-06 -3.1037976 -3.672474
6 0.000001 -3.2680643 -3.3367407
6.5 3.1623E-07 -3.5682545 -3.1369309
7 0.0000001 -3.9797466 -3.048423
7.5 3.1623E-08 -4.4482031 -3.0168794
8 0.00000001 -4.9398841 -3.0085605
8.5 3.1623E-09 -5.4439983 -3.0126747
9 1E-09 -5.9659952 -3.0346715
9.5 3.1623E-10 -6.5315132 -3.1001896
10 1E-10 -7.1912704 -3.2599468
10.5 3.1623E-11 -7.9865491 -3.5552255
11 1E-11 -8.8948102 -3.9634865
11.5 3.1623E-12 -9.8612449 -4.4299213
12 1E-12 -10.850067 -4.9187435
12.5 3.1623E-13 -11.846472 -5.4151481
13 1E-13 -12.845329 -5.9140049
13.5 3.1623E-14 -13.844966 -6.4136428
14 1E-14 -14.844852 -6.9135282
um (5°C)
Diagrama de Bjerrum (95°C
10 12 14 16 0
0 2 4 6 8 10 12 14 16

-5

-10

-15

-20

-25
l og[H2CO3] l og[HCO3-] l og[CO32-]
l og[CO32-]

25°C
PORCENTAJES
[H2CO3]% [HCO3-]% [CO3-2] log[H2CO3] log[HCO3-] log[CO32-]

100% 0% 0% -3.0000001 -9.6001275 -20.378841


100% 0% 0% -3.0000003 -9.1001278 -19.378842
100% 0% 0% -3.0000011 -8.6001285 -18.378842
100% 0% 0% -3.0000034 -8.1001309 -17.378845
100% 0% 0% -3.0000109 -7.6001383 -16.378852
100% 0% 0% -3.0000345 -7.1001619 -15.378876
100% 0% 0% -3.000109 -6.6002365 -14.37895
100% 0% 0% -3.0003447 -6.1004722 -13.379186
100% 0% 0% -3.0010892 -5.6012166 -12.37993
99% 1% 0% -3.0034351 -5.1035625 -11.382276
98% 2% 0% -3.0107711 -4.6108985 -10.389612
93% 7% 0% -3.0331864 -4.1333138 -9.4120276
80% 20% 0% -3.0972987 -3.6974261 -8.4761398
56% 44% 0% -3.2538556 -3.353983 -7.6326968
28% 72% 0% -3.545501 -3.1456284 -6.9243422
11% 89% 0% -3.9515868 -3.0517142 -6.3304279
4% 96% 0% -4.4175264 -3.0176538 -5.7963676
1% 98% 1% -4.9075592 -3.0076866 -5.2864003
0% 98% 2% -5.4087398 -3.0088672 -4.7875809
0% 95% 5% -5.9226702 -3.0227976 -4.3015114
0% 86% 14% -6.4668873 -3.0670147 -3.8457285
0% 66% 34% -7.0835665 -3.183694 -3.4624077
0% 38% 62% -7.8254963 -3.4256237 -3.2043375
0% 16% 84% -8.6967003 -3.7968277 -3.0755415
0% 6% 94% -9.6464967 -4.2466241 -3.0253378
0% 2% 98% -10.629332 -4.7294597 -3.0081735
0% 1% 99% -11.62376 -5.2238876 -3.0026013
0% 0% 100% -12.621983 -5.7221106 -3.0008243
0% 0% 100% -13.62142 -6.2215471 -3.0002608

25°C
PORCENTAJES
[H2CO3]% [HCO3-]% [CO3-2] log[H2CO3] log[HCO3-] log[CO32-]

100% 0% 0% -3.0000001 -9.6001275 -20.378841


100% 0% 0% -3.0000003 -9.1001278 -19.378842
100% 0% 0% -3.0000011 -8.6001285 -18.378842
100% 0% 0% -3.0000034 -8.1001309 -17.378845
100% 0% 0% -3.0000109 -7.6001383 -16.378852
100% 0% 0% -3.0000345 -7.1001619 -15.378876
100% 0% 0% -3.000109 -6.6002365 -14.37895
100% 0% 0% -3.0003447 -6.1004722 -13.379186
100% 0% 0% -3.0010892 -5.6012166 -12.37993
99% 1% 0% -3.0034351 -5.1035625 -11.382276
98% 2% 0% -3.0107711 -4.6108985 -10.389612
93% 7% 0% -3.0331864 -4.1333138 -9.4120276
80% 20% 0% -3.0972987 -3.6974261 -8.4761398
56% 44% 0% -3.2538556 -3.353983 -7.6326968
28% 72% 0% -3.545501 -3.1456284 -6.9243422
11% 89% 0% -3.9515868 -3.0517142 -6.3304279
4% 96% 0% -4.4175264 -3.0176538 -5.7963676
1% 98% 1% -4.9075592 -3.0076866 -5.2864003
0% 98% 2% -5.4087398 -3.0088672 -4.7875809
0% 95% 5% -5.9226702 -3.0227976 -4.3015114
0% 86% 14% -6.4668873 -3.0670147 -3.8457285
0% 66% 34% -7.0835665 -3.183694 -3.4624077
0% 38% 62% -7.8254963 -3.4256237 -3.2043375
0% 16% 84% -8.6967003 -3.7968277 -3.0755415
0% 6% 94% -9.6464967 -4.2466241 -3.0253378
0% 2% 98% -10.629332 -4.7294597 -3.0081735
0% 1% 99% -11.62376 -5.2238876 -3.0026013
0% 0% 100% -12.621983 -5.7221106 -3.0008243
0% 0% 100% -13.62142 -6.2215471 -3.0002608

25°C
PORCENTAJES
[H2CO3]% [HCO3-]% [CO3-2] log[H2CO3] log[HCO3-] log[CO32-]

100% 0% 0% -3.0000001 -9.6001275 -20.378841


100% 0% 0% -3.0000003 -9.1001278 -19.378842
100% 0% 0% -3.0000011 -8.6001285 -18.378842
100% 0% 0% -3.0000034 -8.1001309 -17.378845
100% 0% 0% -3.0000109 -7.6001383 -16.378852
100% 0% 0% -3.0000345 -7.1001619 -15.378876
100% 0% 0% -3.000109 -6.6002365 -14.37895
100% 0% 0% -3.0003447 -6.1004722 -13.379186
100% 0% 0% -3.0010892 -5.6012166 -12.37993
99% 1% 0% -3.0034351 -5.1035625 -11.382276
98% 2% 0% -3.0107711 -4.6108985 -10.389612
93% 7% 0% -3.0331864 -4.1333138 -9.4120276
80% 20% 0% -3.0972987 -3.6974261 -8.4761398
56% 44% 0% -3.2538556 -3.353983 -7.6326968
28% 72% 0% -3.545501 -3.1456284 -6.9243422
11% 89% 0% -3.9515868 -3.0517142 -6.3304279
4% 96% 0% -4.4175264 -3.0176538 -5.7963676
1% 98% 1% -4.9075592 -3.0076866 -5.2864003
0% 98% 2% -5.4087398 -3.0088672 -4.7875809
0% 95% 5% -5.9226702 -3.0227976 -4.3015114
0% 86% 14% -6.4668873 -3.0670147 -3.8457285
0% 66% 34% -7.0835665 -3.183694 -3.4624077
0% 38% 62% -7.8254963 -3.4256237 -3.2043375
0% 16% 84% -8.6967003 -3.7968277 -3.0755415
0% 6% 94% -9.6464967 -4.2466241 -3.0253378
0% 2% 98% -10.629332 -4.7294597 -3.0081735
0% 1% 99% -11.62376 -5.2238876 -3.0026013
0% 0% 100% -12.621983 -5.7221106 -3.0008243
0% 0% 100% -13.62142 -6.2215471 -3.0002608
log[CO32-]
-19.155202
-18.155202
-17.155205
-16.155213
-15.155238
-14.155318
-13.155572
-12.156372
-11.158893
-10.166771
-9.1907807
-8.2589988
-7.4232655
-6.7234557
-6.1349478
-5.6034042
-5.0950853
-4.5991995
-4.1211963
-3.6867144
-3.3464716
-3.1417503
-3.0500114
-3.0164461
-3.0052683
-3.0016729
-3.0005297
-3.0001676
-3.000053
95°C
0 12 14 16

l og[CO32-]

Constantes ideales

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


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

A= 0.5926
I= 0.1

carga Log(ϒi)
H2CO3 0 0.01
HCO3(-a) -1 -0.130522
H(+a) 1 -0.130522
CO3(-2a) -2 -0.5220879

Constantes reales
H2CO3(a) = HCO3(-a) + H(+a)
HCO3(-a) = CO3(-2a) + H(+a)

A= 0.5926
I= 0.01

carga Log(ϒi)
H2CO3 0 0.001
HCO3(-a) -1 -0.0526875
H(+a) 1 -0.0526875
CO3(-2a) -2 -0.2107501

Constantes reales
H2CO3(a) = HCO3(-a) + H(+a)
HCO3(-a) = CO3(-2a) + H(+a)
A= 0.5926
I= 0.001

carga Log(ϒi)
H2CO3 0 0.0001
HCO3(-a) -1 -0.0180467
H(+a) 1 -0.0180467
CO3(-2a) -2 -0.0721868

Constantes reales
H2CO3(a) = HCO3(-a) + H(+a)
HCO3(-a) = CO3(-2a) + H(+a)
T=95°C

K1 = 8.537E-007
K2 = 8.194E-011

ϒi
1.0232929923
0.7404198081
0.7404198081
0.3005468046

K1 = 4.573827E-07
K2 = 2.462563E-11

ϒi
1.0023052381
0.8857526753
0.8857526753
0.6155309443

K1 = 6.682648E-07
K2 = 5.043419E-11
ϒi
1.000230285
0.9592974662
0.9592974662
0.84686306

K1 = 7.854711E-07
K2 = 6.938864E-11
% de predominancia y bejerrum para S(-2) - H2O

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
-4 -2 0 2 4 6 8 10 12 14 16 18 20

C:\HSC6\EpH\S25.IEP pH

ELEMENTS Molality Pre ssure


S 1.000E+00 1.000E+00

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)]


LogK
278.15 298.15 368.15 A
H2S(a) = HS(-a) + H(+a) -7.346 -7.023 -6.537 -4.00105156
HS(-a) = S(-2a) + H(+a) -13.505 -12.884 -11.350 -4.628287

H2S(a) = HS(-a) + H(+a)


1/T T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
0.00359518 278.150 28.984 -36.413 39.113 4.511E-008 -7.346
0.0035317 283.150 27.131 -43.019 39.312 5.589E-008 -7.253
0.00347041 288.150 25.458 -48.876 39.542 6.784E-008 -7.169
0.00341122 293.150 23.922 -54.160 39.799 8.087E-008 -7.092
0.00335402 298.150 22.492 -59.000 40.082 9.487E-008 -7.023
0.0032987 303.150 21.141 -63.494 40.389 1.097E-007 -6.960
0.00324517 308.150 19.849 -67.719 40.717 1.252E-007 -6.903
0.00319336 313.150 18.603 -71.731 41.066 1.411E-007 -6.850
0.00314317 318.150 17.391 -75.572 41.434 1.573E-007 -6.803
0.00309454 323.150 16.205 -79.269 41.821 1.735E-007 -6.761
0.00304739 328.150 15.042 -82.841 42.226 1.896E-007 -6.722
0.00300165 333.150 13.899 -86.298 42.649 2.053E-007 -6.688
0.00295727 338.150 12.770 -89.663 43.089 2.205E-007 -6.657
0.00291418 343.150 11.647 -92.958 43.546 2.349E-007 -6.629
0.00287233 348.150 10.529 -96.194 44.019 2.484E-007 -6.605
0.00283166 353.150 9.412 -99.380 44.508 2.608E-007 -6.584
0.00279213 358.150 8.293 -102.525 45.012 2.720E-007 -6.565
0.00275368 363.150 7.171 -105.636 45.533 2.819E-007 -6.550
0.00271628 368.150 6.043 -108.723 46.069 2.904E-007 -6.537
HS(-a) = S(-2a) + H(+a)
1/T T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
0.00359518 278.150 49.081 -82.074 71.910 3.124E-014 -13.505
0.0035317 283.150 49.334 -81.172 72.318 4.549E-014 -13.342
0.00347041 288.150 49.421 -80.864 72.722 6.547E-014 -13.184
0.00341122 293.150 49.370 -81.039 73.127 9.308E-014 -13.031
0.00335402 298.150 49.204 -81.602 73.534 1.307E-013 -12.884
0.0032987 303.150 48.941 -82.476 73.944 1.811E-013 -12.742
0.00324517 308.150 48.598 -83.599 74.359 2.480E-013 -12.606
0.00319336 313.150 48.187 -84.921 74.780 3.353E-013 -12.475
0.00314317 318.150 47.719 -86.405 75.208 4.478E-013 -12.349
0.00309454 323.150 47.200 -88.022 75.644 5.911E-013 -12.228
0.00304739 328.150 46.636 -89.753 76.089 7.714E-013 -12.113
0.00300165 333.150 46.030 -91.587 76.542 9.954E-013 -12.002
0.00295727 338.150 45.389 -93.496 77.005 1.270E-012 -11.896
0.00291418 343.150 44.721 -95.457 77.477 1.605E-012 -11.795
0.00287233 348.150 44.030 -97.456 77.959 2.006E-012 -11.698
0.00283166 353.150 43.320 -99.482 78.452 2.484E-012 -11.605
0.00279213 358.150 42.594 -101.523 78.954 3.047E-012 -11.516
0.00275368 363.150 41.855 -103.570 79.467 3.705E-012 -11.431
0.00271628 368.150 41.109 -105.612 79.990 4.465E-012 -11.350
5°C 25°C 95°C 5°C 25°C 95°C
K(HSC) K(calculado)
B 278.15 298.15 368.15 278.15 298.15 368.15
-906.306208 4.511E-008 9.487E-008 2.904E-007 0.000000055 0.000000091 3.444794E-07
-2462.0669 3.124E-014 1.307E-013 4.465E-012 3.312328E-14 1.299871E-13 4.83103E-12

5°C
Porcentajes
PH [H+] [H2S]%
0 1
0.5 0.316227766
1 0.1
DG = A + B*T 1.5 0.031622777
A B r2 2 0.01
16.8946244 0.07800319 0.98611148 2.5 0.003162278
3 0.001
0.07800319 16.8946244 3.5 0.000316228
0.00224519 0.72813355 4 0.0001
0.98611148 0.26801574 4.5 3.162278E-05
1207.03259 17 5 0.00001
86.7040954 1.22115147 5.5 3.162278E-06
6 0.000001
6.5 3.162278E-07
Log(K) = A' + B'/T 7 0.0000001
A' B' r2 7.5 3.162278E-08
-4.0010516 -906.30621 0.97117827 8 0.00000001
8.5 3.162278E-09
-906.30621 -4.0010516 9 0.000000001
37.8670111 0.11846399 9.5 3.162278E-10
0.97117827 0.04398028 10 1E-10
572.832771 17 10.5 3.162278E-11
1.10801045 0.03288251 11 1E-11
11.5 3.162278E-12
12 1E-12
12.5 3.162278E-13
13 1E-13
13.5 3.162278E-14
14 1E-14
DG = A + B*T 14.5 3.162278E-15
A B r2 15 1E-15
46.9523888 0.08915251 15.5 3.162278E-16
16 1E-16
0.08915251 46.9523888 16.5 3.162278E-17
0.00090918 0.29485316 17 1E-17
0.99823514 0.10853131 17.5 3.162278E-18
9615.49984 17 18 1E-18
113.261414 0.20024378 18.5 3.162278E-19
19 1E-19
Log(K) = A' + B'/T 19.5 3.162278E-20
A' B' r2 20 1E-20
-4.628287 -2462.0669 0.9993792

-2462.0669 -4.628287
14.8828026 0.04655969
0.9993792 0.01728549
27367.1931 17
8.17699334 0.0050794
5°C
Porcentajes
[HS-]% [S2-]%
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)]
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 )]
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)]
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

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


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

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


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

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


Bjerrum 5C
2 4 6 8 10 12 14
-2
HFeO2(-a)
-3 Fe(+2a) FeOH(+a) HFeO2(-a)

-4

-5
Log [Fe+2]

-6

-7

-8

-9

14 16 18 -10

pH

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


Bjerrum 25C
2 4 6 8 10 12 14
-2
HFeO2(-a)
-3 Fe(+2a) FeOH(+a) HFeO2(-a)

-4

-5
Log [Fe+2]

-6

-7

-8

-9

14 16 18 -10

pH

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


Bjerrum 95C
2 4 6 8 10 12 14
-2
HFeO2(-a)
-3 Fe(+2a) FeOH(+a) HFeO2(-a)

-4

-5
Log [Fe+2]

-6

-7

-8

-9

14 16 18 -10

pH

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


12 14 16 18

HFeO2(-a)

g%FeO(a ) Log%HFeO2(-a)
12 14 16 18

HFeO2(-a)

gFeO(a) LogHFeO2(-a )
12 14 16 18

HFeO2(-a)

gFeO(a) LogHFeO2(-a )
Reacciones
Fe(+2a) + CO2(a) + H2O = FeCO3 + 2H(+a) k1 = [H(+a)]2/ [Fe(+2a)]*[CO2(a)]
Fe(+2a) + HCO3(-a) = FeCO3 + H(+a) k2 = [H(+a)] / [Fe(+2a)]*[HCO3(-a)]
FeOH(+a) + HCO3(-a) = FeCO3 + H2O k3 = 1 / [FeOH(+a)]*[HCO3(-a)]
HFeO2(-a) + HCO3(-a) + 2H(+a) = FeCO3 + 2H2O k4 = 1 / [HFeO2(-a)]*[H(+a)]2*[HCO3(-a)]
HFeO2(-a) + CO3(-2a) + 3H(+a) = FeCO3 + 2H2O k5 = 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
-3.13E+00 -3.59E+00 -5.59E+00 -6.56E+00
Log[H
-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[F
-1.18E+01 -1.16E+01 -1.25E+01 -3.00E+00
Log[H
-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[F
-1.63E+01 -1.44E+01 -1.56E+01 -3.00E+00
Log[H
-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
5

3
FeCO3
1

-1
Log [Fe+2]

-3

-5

-7

-9

-11
CO2(a) HCO3(-a) CO3(-2a)
-13

-15

pH

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


Log[HFeO2(-a)]I Log[HFeO2(-a )]II Log[∑Fe(+2a )]
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
-5 50%

-7 40%

-9 30%

-11 20%

-13 CO2(a) 10%


HCO3(-a) CO3(-2a)
-15
0%
2
pH

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


Log[HFeO2(-a)]I Log[HFeO2(-a )]II Log[∑Fe(+2a )]
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
-5 50%

-7 40%

-9 30%

-11 20%
CO3(-2a)
-13 10%
CO2(a) HCO3(-a)
-15 0%
pH 2

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


Log[HFeO2(-a )]I Log[HFeO2(-a)]II Log[∑Fe(+2a)]
100% Predominancia 5C
90%

80% CO2(a) CO3(-2a)


HCO3(-a)
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


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


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


Bjerrum 5C
2 4 6 8 10 12 14 16
0
(-2a) CO2(a) HCO3(-a) CO3(-2a)
-2

-4

-6

-8
Log [Fe+2]

-10

-12

-14

-16
16 18 -18

-20

pH

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


HFeO2(-a)]II
Bjerrum 25C
0 2 4 6 8 10 12
0
2a) CO2(a) HCO3(-a) CO3(-2a)
-2

-4

-6

-8
Log [Fe+2]

-10

-12

-14

-16

-18

16 18 -20

pH

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


Bjerrum 95C
0 2 4 6 8 10 12
0
a) CO2(a) HCO3(-a) CO3(-2a)
-2

-4

-6

-8
Log [Fe+2]

-10

-12

-14

-16

-18

16 18 -20

pH

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


14 16 18

CO3(-2a)

O2(-a)I Log%HFeO2(-a)II
10 12 14

CO3(-2a)

O2(-a)I Log%HFeO2(-a)II
10 12 14

CO3(-2a)

O2(-a)I Log%HFeO2(-a)II
Reacciones
Fe(+2a) + SO3(a) + H2O = FeSO4 + 2H(+a) k1 = [H(+a)]2/ [Fe(+2a)]*[SO3(a)]
Fe(+2a) + HSO4(-a) = FeSO4 + H(+a) k2 = [H(+a)] / [Fe(+2a)]*[HSO4(-a)]
Fe(+2a) + SO4(-2a) = FeSO4 k3 = 1 / [Fe(+2a)]*[SO4(-a)]
FeOH(+a) + SO4(-2a) + H(+a) = FeSO4 + H2O k4 = 1 / [FeOH(+a)]*[H(+a)]*[SO4(-2a)]
HFeO2(-a) + SO4(-2a) + 3H(+a) = FeSO4 + 2H2O 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+08 3.17E+06 8.25E+04 8.95E-06 9.02E-27 1.75E+08
0.5 3.16E-01 1.71E+07 1.00E+06 8.25E+04 2.83E-05 2.85E-25 1.82E+07
1 1.00E-01 1.71E+06 3.17E+05 8.25E+04 8.95E-05 9.02E-24 2.11E+06
1.5 3.16E-02 1.71E+05 1.00E+05 8.25E+04 2.83E-04 2.85E-22 3.54E+05
2 1.00E-02 1.71E+04 3.17E+04 8.25E+04 8.95E-04 9.02E-21 1.31E+05
2.5 3.16E-03 1.71E+03 1.00E+04 8.25E+04 2.83E-03 2.85E-19 9.42E+04
3 1.00E-03 1.71E+02 3.17E+03 8.25E+04 8.95E-03 9.02E-18 8.58E+04
3.5 3.16E-04 1.71E+01 1.00E+03 8.25E+04 2.83E-02 2.85E-16 8.35E+04
4 1.00E-04 1.71E+00 3.17E+02 8.25E+04 8.95E-02 9.02E-15 8.28E+04
4.5 3.16E-05 1.71E-01 1.00E+02 8.25E+04 2.83E-01 2.85E-13 8.26E+04
5 1.00E-05 1.71E-02 3.17E+01 8.25E+04 8.95E-01 9.02E-12 8.25E+04
5.5 3.16E-06 1.71E-03 1.00E+01 8.25E+04 2.83E+00 2.85E-10 8.25E+04
6 1.00E-06 1.71E-04 3.17E+00 8.25E+04 8.95E+00 9.02E-09 8.25E+04
6.5 3.16E-07 1.71E-05 1.00E+00 8.25E+04 2.83E+01 2.85E-07 8.25E+04
7 1.00E-07 1.71E-06 3.17E-01 8.25E+04 8.95E+01 9.02E-06 8.26E+04
7.5 3.16E-08 1.71E-07 1.00E-01 8.25E+04 2.83E+02 2.85E-04 8.27E+04
8 1.00E-08 1.71E-08 3.17E-02 8.25E+04 8.95E+02 9.02E-03 8.34E+04
8.5 3.16E-09 1.71E-09 1.00E-02 8.25E+04 2.83E+03 2.85E-01 8.53E+04
9 1.00E-09 1.71E-10 3.17E-03 8.25E+04 8.95E+03 9.02E+00 9.14E+04
9.5 3.16E-10 1.71E-11 1.00E-03 8.25E+04 2.83E+04 2.85E+02 1.11E+05
10 1.00E-10 1.71E-12 3.17E-04 8.25E+04 8.95E+04 9.02E+03 1.81E+05
10.5 3.16E-11 1.71E-13 1.00E-04 8.25E+04 2.83E+05 2.85E+05 6.51E+05
11 1.00E-11 1.71E-14 3.17E-05 8.25E+04 8.95E+05 9.02E+06 1.00E+07
11.5 3.16E-12 1.71E-15 1.00E-05 8.25E+04 2.83E+06 2.85E+08 2.88E+08
12 1.00E-12 1.71E-16 3.17E-06 8.25E+04 8.95E+06 9.02E+09 9.03E+09
12.5 3.16E-13 1.71E-17 1.00E-06 8.25E+04 2.83E+07 2.85E+11 2.85E+11
13 1.00E-13 1.71E-18 3.17E-07 8.25E+04 8.95E+07 9.02E+12 9.02E+12
13.5 3.16E-14 1.71E-19 1.00E-07 8.25E+04 2.83E+08 2.85E+14 2.85E+14
14 1.00E-14 1.71E-20 3.17E-08 8.25E+04 8.95E+08 9.02E+15 9.02E+15
14.5 3.16E-15 1.71E-21 1.00E-08 8.25E+04 2.83E+09 2.85E+17 2.85E+17
15 1.00E-15 1.71E-22 3.17E-09 8.25E+04 8.95E+09 9.02E+18 9.02E+18
15.5 3.16E-16 1.71E-23 1.00E-09 8.25E+04 2.83E+10 2.85E+20 2.85E+20
16 1.00E-16 1.71E-24 3.17E-10 8.25E+04 8.95E+10 9.02E+21 9.02E+21
16.5 3.16E-17 1.71E-25 1.00E-10 8.25E+04 2.83E+11 2.85E+23 2.85E+23
17 1.00E-17 1.71E-26 3.17E-11 8.25E+04 8.95E+11 9.02E+24 9.02E+24
17.5 3.16E-18 1.71E-27 1.00E-11 8.25E+04 2.83E+12 2.85E+26 2.85E+26
18 1.00E-18 1.71E-28 3.17E-12 8.25E+04 8.95E+12 9.02E+27 9.02E+27

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


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

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


0 1.00E+00 1.93E+04 1.22E+04 1.65E+01 4.19E-07 3.52E-24 3.15E+04
0.5 3.16E-01 1.93E+03 3.86E+03 1.65E+01 1.32E-06 1.11E-22 5.81E+03
1 1.00E-01 1.93E+02 1.22E+03 1.65E+01 4.19E-06 3.52E-21 1.43E+03
1.5 3.16E-02 1.93E+01 3.86E+02 1.65E+01 1.32E-05 1.11E-19 4.22E+02
2 1.00E-02 1.93E+00 1.22E+02 1.65E+01 4.19E-05 3.52E-18 1.41E+02
2.5 3.16E-03 1.93E-01 3.86E+01 1.65E+01 1.32E-04 1.11E-16 5.54E+01
3 1.00E-03 1.93E-02 1.22E+01 1.65E+01 4.19E-04 3.52E-15 2.88E+01
3.5 3.16E-04 1.93E-03 3.86E+00 1.65E+01 1.32E-03 1.11E-13 2.04E+01
4 1.00E-04 1.93E-04 1.22E+00 1.65E+01 4.19E-03 3.52E-12 1.77E+01
4.5 3.16E-05 1.93E-05 3.86E-01 1.65E+01 1.32E-02 1.11E-10 1.69E+01
5 1.00E-05 1.93E-06 1.22E-01 1.65E+01 4.19E-02 3.52E-09 1.67E+01
5.5 3.16E-06 1.93E-07 3.86E-02 1.65E+01 1.32E-01 1.11E-07 1.67E+01
6 1.00E-06 1.93E-08 1.22E-02 1.65E+01 4.19E-01 3.52E-06 1.70E+01
6.5 3.16E-07 1.93E-09 3.86E-03 1.65E+01 1.32E+00 1.11E-04 1.78E+01
7 1.00E-07 1.93E-10 1.22E-03 1.65E+01 4.19E+00 3.52E-03 2.07E+01
7.5 3.16E-08 1.93E-11 3.86E-04 1.65E+01 1.32E+01 1.11E-01 2.99E+01
8 1.00E-08 1.93E-12 1.22E-04 1.65E+01 4.19E+01 3.52E+00 6.19E+01
8.5 3.16E-09 1.93E-13 3.86E-05 1.65E+01 1.32E+02 1.11E+02 2.60E+02
9 1.00E-09 1.93E-14 1.22E-05 1.65E+01 4.19E+02 3.52E+03 3.95E+03
9.5 3.16E-10 1.93E-15 3.86E-06 1.65E+01 1.32E+03 1.11E+05 1.13E+05
10 1.00E-10 1.93E-16 1.22E-06 1.65E+01 4.19E+03 3.52E+06 3.52E+06
10.5 3.16E-11 1.93E-17 3.86E-07 1.65E+01 1.32E+04 1.11E+08 1.11E+08
11 1.00E-11 1.93E-18 1.22E-07 1.65E+01 4.19E+04 3.52E+09 3.52E+09
11.5 3.16E-12 1.93E-19 3.86E-08 1.65E+01 1.32E+05 1.11E+11 1.11E+11
12 1.00E-12 1.93E-20 1.22E-08 1.65E+01 4.19E+05 3.52E+12 3.52E+12
12.5 3.16E-13 1.93E-21 3.86E-09 1.65E+01 1.32E+06 1.11E+14 1.11E+14
13 1.00E-13 1.93E-22 1.22E-09 1.65E+01 4.19E+06 3.52E+15 3.52E+15
13.5 3.16E-14 1.93E-23 3.86E-10 1.65E+01 1.32E+07 1.11E+17 1.11E+17
14 1.00E-14 1.93E-24 1.22E-10 1.65E+01 4.19E+07 3.52E+18 3.52E+18
14.5 3.16E-15 1.93E-25 3.86E-11 1.65E+01 1.32E+08 1.11E+20 1.11E+20
15 1.00E-15 1.93E-26 1.22E-11 1.65E+01 4.19E+08 3.52E+21 3.52E+21
15.5 3.16E-16 1.93E-27 3.86E-12 1.65E+01 1.32E+09 1.11E+23 1.11E+23
16 1.00E-16 1.93E-28 1.22E-12 1.65E+01 4.19E+09 3.52E+24 3.52E+24
16.5 3.16E-17 1.93E-29 3.86E-13 1.65E+01 1.32E+10 1.11E+26 1.11E+26
17 1.00E-17 1.93E-30 1.22E-13 1.65E+01 4.19E+10 3.52E+27 3.52E+27
17.5 3.16E-18 1.93E-31 3.86E-14 1.65E+01 1.32E+11 1.11E+29 1.11E+29
18 1.00E-18 1.93E-32 1.22E-14 1.65E+01 4.19E+11 3.52E+30 3.52E+30
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)]


8.23E+00 6.50E+00 4.92E+00 -5.05E+00 -2.60E+01 8.24E+00
7.23E+00 6.00E+00 4.92E+00 -4.55E+00 -2.45E+01 7.26E+00
6.23E+00 5.50E+00 4.92E+00 -4.05E+00 -2.30E+01 6.32E+00
5.23E+00 5.00E+00 4.92E+00 -3.55E+00 -2.15E+01 5.55E+00
4.23E+00 4.50E+00 4.92E+00 -3.05E+00 -2.00E+01 5.12E+00
3.23E+00 4.00E+00 4.92E+00 -2.55E+00 -1.85E+01 4.97E+00
2.23E+00 3.50E+00 4.92E+00 -2.05E+00 -1.70E+01 4.93E+00
1.23E+00 3.00E+00 4.92E+00 -1.55E+00 -1.55E+01 4.92E+00
2.34E-01 2.50E+00 4.92E+00 -1.05E+00 -1.40E+01 4.92E+00
-7.66E-01 2.00E+00 4.92E+00 -5.48E-01 -1.25E+01 4.92E+00
-1.77E+00 1.50E+00 4.92E+00 -4.82E-02 -1.10E+01 4.92E+00
-2.77E+00 1.00E+00 4.92E+00 4.52E-01 -9.54E+00 4.92E+00
-3.77E+00 5.01E-01 4.92E+00 9.52E-01 -8.04E+00 4.92E+00
-4.77E+00 1.42E-03 4.92E+00 1.45E+00 -6.54E+00 4.92E+00
-5.77E+00 -4.99E-01 4.92E+00 1.95E+00 -5.04E+00 4.92E+00
-6.77E+00 -9.99E-01 4.92E+00 2.45E+00 -3.54E+00 4.92E+00
-7.77E+00 -1.50E+00 4.92E+00 2.95E+00 -2.04E+00 4.92E+00
-8.77E+00 -2.00E+00 4.92E+00 3.45E+00 -5.45E-01 4.93E+00
-9.77E+00 -2.50E+00 4.92E+00 3.95E+00 9.55E-01 4.96E+00
-1.08E+01 -3.00E+00 4.92E+00 4.45E+00 2.46E+00 5.05E+00
-1.18E+01 -3.50E+00 4.92E+00 4.95E+00 3.96E+00 5.26E+00
-1.28E+01 -4.00E+00 4.92E+00 5.45E+00 5.46E+00 5.81E+00
-1.38E+01 -4.50E+00 4.92E+00 5.95E+00 6.96E+00 7.00E+00
-1.48E+01 -5.00E+00 4.92E+00 6.45E+00 8.46E+00 8.46E+00
-1.58E+01 -5.50E+00 4.92E+00 6.95E+00 9.96E+00 9.96E+00
-1.68E+01 -6.00E+00 4.92E+00 7.45E+00 1.15E+01 1.15E+01
-1.78E+01 -6.50E+00 4.92E+00 7.95E+00 1.30E+01 1.30E+01
-1.88E+01 -7.00E+00 4.92E+00 8.45E+00 1.45E+01 1.45E+01
-1.98E+01 -7.50E+00 4.92E+00 8.95E+00 1.60E+01 1.60E+01
-2.08E+01 -8.00E+00 4.92E+00 9.45E+00 1.75E+01 1.75E+01
-2.18E+01 -8.50E+00 4.92E+00 9.95E+00 1.90E+01 1.90E+01
-2.28E+01 -9.00E+00 4.92E+00 1.05E+01 2.05E+01 2.05E+01
-2.38E+01 -9.50E+00 4.92E+00 1.10E+01 2.20E+01 2.20E+01
-2.48E+01 -1.00E+01 4.92E+00 1.15E+01 2.35E+01 2.35E+01
-2.58E+01 -1.05E+01 4.92E+00 1.20E+01 2.50E+01 2.50E+01
-2.68E+01 -1.10E+01 4.92E+00 1.25E+01 2.65E+01 2.65E+01
-2.78E+01 -1.15E+01 4.92E+00 1.30E+01 2.80E+01 2.80E+01

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


7.15E+00 5.84E+00 3.90E+00 -5.41E+00 -2.53E+01 7.17E+00
6.15E+00 5.34E+00 3.90E+00 -4.91E+00 -2.38E+01 6.21E+00
5.15E+00 4.84E+00 3.90E+00 -4.41E+00 -2.23E+01 5.34E+00
4.15E+00 4.34E+00 3.90E+00 -3.91E+00 -2.08E+01 4.64E+00
3.15E+00 3.84E+00 3.90E+00 -3.41E+00 -1.93E+01 4.21E+00
2.15E+00 3.34E+00 3.90E+00 -2.91E+00 -1.78E+01 4.01E+00
1.15E+00 2.84E+00 3.90E+00 -2.41E+00 -1.63E+01 3.94E+00
1.50E-01 2.34E+00 3.90E+00 -1.91E+00 -1.48E+01 3.91E+00
-8.50E-01 1.84E+00 3.90E+00 -1.41E+00 -1.33E+01 3.91E+00
-1.85E+00 1.34E+00 3.90E+00 -9.13E-01 -1.18E+01 3.90E+00
-2.85E+00 8.39E-01 3.90E+00 -4.13E-01 -1.03E+01 3.90E+00
-3.85E+00 3.39E-01 3.90E+00 8.70E-02 -8.83E+00 3.90E+00
-4.85E+00 -1.61E-01 3.90E+00 5.87E-01 -7.33E+00 3.90E+00
-5.85E+00 -6.61E-01 3.90E+00 1.09E+00 -5.83E+00 3.90E+00
-6.85E+00 -1.16E+00 3.90E+00 1.59E+00 -4.33E+00 3.90E+00
-7.85E+00 -1.66E+00 3.90E+00 2.09E+00 -2.83E+00 3.91E+00
-8.85E+00 -2.16E+00 3.90E+00 2.59E+00 -1.33E+00 3.92E+00
-9.85E+00 -2.66E+00 3.90E+00 3.09E+00 1.66E-01 3.96E+00
-1.08E+01 -3.16E+00 3.90E+00 3.59E+00 1.67E+00 4.07E+00
-1.18E+01 -3.66E+00 3.90E+00 4.09E+00 3.17E+00 4.34E+00
-1.28E+01 -4.16E+00 3.90E+00 4.59E+00 4.67E+00 4.97E+00
-1.38E+01 -4.66E+00 3.90E+00 5.09E+00 6.17E+00 6.20E+00
-1.48E+01 -5.16E+00 3.90E+00 5.59E+00 7.67E+00 7.67E+00
-1.58E+01 -5.66E+00 3.90E+00 6.09E+00 9.17E+00 9.17E+00
-1.68E+01 -6.16E+00 3.90E+00 6.59E+00 1.07E+01 1.07E+01
-1.78E+01 -6.66E+00 3.90E+00 7.09E+00 1.22E+01 1.22E+01
-1.88E+01 -7.16E+00 3.90E+00 7.59E+00 1.37E+01 1.37E+01
-1.98E+01 -7.66E+00 3.90E+00 8.09E+00 1.52E+01 1.52E+01
-2.08E+01 -8.16E+00 3.90E+00 8.59E+00 1.67E+01 1.67E+01
-2.18E+01 -8.66E+00 3.90E+00 9.09E+00 1.82E+01 1.82E+01
-2.28E+01 -9.16E+00 3.90E+00 9.59E+00 1.97E+01 1.97E+01
-2.38E+01 -9.66E+00 3.90E+00 1.01E+01 2.12E+01 2.12E+01
-2.48E+01 -1.02E+01 3.90E+00 1.06E+01 2.27E+01 2.27E+01
-2.58E+01 -1.07E+01 3.90E+00 1.11E+01 2.42E+01 2.42E+01
-2.68E+01 -1.12E+01 3.90E+00 1.16E+01 2.57E+01 2.57E+01
-2.78E+01 -1.17E+01 3.90E+00 1.21E+01 2.72E+01 2.72E+01
-2.88E+01 -1.22E+01 3.90E+00 1.26E+01 2.87E+01 2.87E+01

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


4.29E+00 4.09E+00 1.22E+00 -6.38E+00 -2.35E+01 4.50E+00
3.29E+00 3.59E+00 1.22E+00 -5.88E+00 -2.20E+01 3.76E+00
2.29E+00 3.09E+00 1.22E+00 -5.38E+00 -2.05E+01 3.16E+00
1.29E+00 2.59E+00 1.22E+00 -4.88E+00 -1.90E+01 2.63E+00
2.86E-01 2.09E+00 1.22E+00 -4.38E+00 -1.75E+01 2.15E+00
-7.14E-01 1.59E+00 1.22E+00 -3.88E+00 -1.60E+01 1.74E+00
-1.71E+00 1.09E+00 1.22E+00 -3.38E+00 -1.45E+01 1.46E+00
-2.71E+00 5.87E-01 1.22E+00 -2.88E+00 -1.30E+01 1.31E+00
-3.71E+00 8.71E-02 1.22E+00 -2.38E+00 -1.15E+01 1.25E+00
-4.71E+00 -4.13E-01 1.22E+00 -1.88E+00 -9.95E+00 1.23E+00
-5.71E+00 -9.13E-01 1.22E+00 -1.38E+00 -8.45E+00 1.22E+00
-6.71E+00 -1.41E+00 1.22E+00 -8.78E-01 -6.95E+00 1.22E+00
-7.71E+00 -1.91E+00 1.22E+00 -3.78E-01 -5.45E+00 1.23E+00
-8.71E+00 -2.41E+00 1.22E+00 1.22E-01 -3.95E+00 1.25E+00
-9.71E+00 -2.91E+00 1.22E+00 6.22E-01 -2.45E+00 1.32E+00
-1.07E+01 -3.41E+00 1.22E+00 1.12E+00 -9.54E-01 1.48E+00
-1.17E+01 -3.91E+00 1.22E+00 1.62E+00 5.46E-01 1.79E+00
-1.27E+01 -4.41E+00 1.22E+00 2.12E+00 2.05E+00 2.42E+00
-1.37E+01 -4.91E+00 1.22E+00 2.62E+00 3.55E+00 3.60E+00
-1.47E+01 -5.41E+00 1.22E+00 3.12E+00 5.05E+00 5.05E+00
-1.57E+01 -5.91E+00 1.22E+00 3.62E+00 6.55E+00 6.55E+00
-1.67E+01 -6.41E+00 1.22E+00 4.12E+00 8.05E+00 8.05E+00
-1.77E+01 -6.91E+00 1.22E+00 4.62E+00 9.55E+00 9.55E+00
-1.87E+01 -7.41E+00 1.22E+00 5.12E+00 1.10E+01 1.10E+01
-1.97E+01 -7.91E+00 1.22E+00 5.62E+00 1.25E+01 1.25E+01
-2.07E+01 -8.41E+00 1.22E+00 6.12E+00 1.40E+01 1.40E+01
-2.17E+01 -8.91E+00 1.22E+00 6.62E+00 1.55E+01 1.55E+01
-2.27E+01 -9.41E+00 1.22E+00 7.12E+00 1.70E+01 1.70E+01
-2.37E+01 -9.91E+00 1.22E+00 7.62E+00 1.85E+01 1.85E+01
-2.47E+01 -1.04E+01 1.22E+00 8.12E+00 2.00E+01 2.00E+01
-2.57E+01 -1.09E+01 1.22E+00 8.62E+00 2.15E+01 2.15E+01
-2.67E+01 -1.14E+01 1.22E+00 9.12E+00 2.30E+01 2.30E+01
-2.77E+01 -1.19E+01 1.22E+00 9.62E+00 2.45E+01 2.45E+01
-2.87E+01 -1.24E+01 1.22E+00 1.01E+01 2.60E+01 2.60E+01
-2.97E+01 -1.29E+01 1.22E+00 1.06E+01 2.75E+01 2.75E+01
-3.07E+01 -1.34E+01 1.22E+00 1.11E+01 2.90E+01 2.90E+01
-3.17E+01 -1.39E+01 1.22E+00 1.16E+01 3.05E+01 3.05E+01
Fe+2
0.001

SO4(-2a)
0.01

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 L
-3.13E+00 -3.59E+00 -5.59E+00
Log[FeOH(+a )] L
-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 11

Log [Fe+2]
5
-3.00E+00 -8.32E+00 -2.02E+01
-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
-3.43E+00 -3.25E+00 -4.17E+00
Log[FeOH(+a )]
-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
-6.83E+00 -4.93E+00 -3.01E+00
Log[FeOH(+a)]
-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

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


Log[FeOH(+a )] Log[HFeO2(-a)] Log[∑Fe(+2a)] %[Fe(+2a)] I %[Fe(+2a
Solubilidad 25C
4 6 8 10 12 14 16 18 100%

90%
HSO4(-a)
FeSO4
80%

70%

11 60% SO3(a)

% Fe+2
50%

40%

30%

20%

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

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


Log[FeOH(+a )] Log[HFeO2(-a)] Log[∑Fe(+2a)] %[Fe(+2a)] I %[Fe(+2a
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%
pH 0 2 4

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


Log[FeOH(+a)] Log[HFeO2(-a )] Log[∑Fe(+2a )] %[Fe(+2a)] I %[Fe(+2a
Predominancia 5C
0 2
0
SO3(a) SO4(-2a) SO3(a)
-2

-4

-6

-8

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


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

-4

-6
O3(a)
-8

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


Predominancia 95C
0 2
0
SO4(-2a) SO3(a)
-2
HSO4(-a)
-4

-6

-8

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


Bjerrum 5C
0 2 4 6 8 10 12 14
0
SO3(a) SO4(-2a)
-2

-4

-6

-8
Log [Fe+2]

-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 )


Bjerrum 25C
0 2 4 6 8 10 12 14
0 SO3(a) SO4(-2a)
HSO4(-a)
-2

-4

-6

-8
Log [Fe+2]

-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 )


Bjerrum 95C
0 2 4 6 8 10 12 14
0
SO3(a) HSO4(-a) SO4(-2a)
-2

-4

-6

-8
Log [Fe+2]

-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 )


Determinacion de la solubilidad del CdS en agua para 5° C

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

1.5
1.5

1.0
1.0
95
95
0.5
0.5

0.0
0.0 9595
9595 95
95 95
95
CdO(a)
CdO(a) Cd(OH)4(-2a)
Cd(OH)4(-2a)
Cd(+2a)
Cd(+2a)
-0.5
-0.5 95
HCdO2(-a)
HCdO2(-a)
95
CdOH(+a)
CdOH(+a)

-1.0
-1.0

-1.5
-1.5
H
H22O
O lim
limits
its
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18 20
20
C:\HSC6\EpH\CEpHSD0.EPT
C:\HSC6\EpH\CEpHSD0.EPT pH
pH

ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
Cd
Cd 1.000E-05
1.000E-05 1.000E+00
1.000E+00

Cd(+2a) + H2S(a) = CdS + 2H(+a)


1/T T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
0.00359518 278.150 -32.184 28.431 -40.092 3.386E+007 7.530
0.0035317 283.150 -32.924 25.792 -40.228 2.640E+007 7.422
0.00347041 288.150 -33.618 23.364 -40.350 2.066E+007 7.315
0.00341122 293.150 -34.276 21.101 -40.461 1.623E+007 7.210
0.00335402 298.150 -34.902 18.982 -40.562 1.279E+007 7.107
0.0032987 303.150 -35.501 16.991 -40.651 1.012E+007 7.005
0.00324517 308.150 -36.074 15.115 -40.732 8.036E+006 6.905
0.00319336 313.150 -36.624 13.345 -40.803 6.407E+006 6.807
0.00314317 318.150 -37.152 11.673 -40.865 5.128E+006 6.710
0.00309454 323.150 -37.660 10.088 -40.920 4.120E+006 6.615
0.00304739 328.150 -38.151 8.579 -40.966 3.323E+006 6.522
0.00300165 333.150 -38.629 7.135 -41.006 2.690E+006 6.430
0.00295727 338.150 -39.092 5.755 -41.038 2.186E+006 6.340
0.00291418 343.150 -39.539 4.442 -41.063 1.783E+006 6.251
0.00287233 348.150 -39.972 3.190 -41.082 1.460E+006 6.164
0.00283166 353.150 -40.390 1.998 -41.095 1.199E+006 6.079
0.00279213 358.150 -40.794 0.862 -41.102 9.888E+005 5.995
0.00275368 363.150 -41.184 -0.219 -41.104 8.181E+005 5.913
0.00271628 368.150 -41.559 -1.246 -41.100 6.791E+005 5.832

Formula FM Conc. Amount Amount Volume


g/mol wt-% mol g l or ml
Cd(+2a) 112.410 76.738 1.000 112.410 0.000
H2S(a) 34.076 23.262 1.000 34.076 0.000
g/mol wt-% mol g l or ml
CdS 144.470 98.624 1.000 144.470 29.911
H(+a) 1.008 1.376 2.000 2.016 0.000

Cd(+2a) + HS(-a) = CdS + H(+a)


1/T T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
0.00359518 278.150 -61.169 64.843 -79.205 7.505E+014 14.875
0.0035317 283.150 -60.055 68.812 -79.539 4.724E+014 14.674
0.00347041 288.150 -59.076 72.240 -79.892 3.046E+014 14.484
0.00341122 293.150 -58.198 75.262 -80.261 2.006E+014 14.302
0.00335402 298.150 -57.394 77.982 -80.644 1.348E+014 14.130
0.0032987 303.150 -56.641 80.484 -81.040 9.224E+013 13.965
0.00324517 308.150 -55.923 82.834 -81.449 6.420E+013 13.808
0.00319336 313.150 -55.227 85.077 -81.868 4.541E+013 13.657
0.00314317 318.150 -54.542 87.245 -82.299 3.260E+013 13.513
0.00309454 323.150 -53.865 89.357 -82.741 2.374E+013 13.376
0.00304739 328.150 -53.193 91.421 -83.193 1.753E+013 13.244
0.00300165 333.150 -52.528 93.433 -83.655 1.310E+013 13.117
0.00295727 338.150 -51.861 95.418 -84.127 9.916E+012 12.996
0.00291418 343.150 -51.186 97.400 -84.609 7.592E+012 12.880
0.00287233 348.150 -50.501 99.384 -85.101 5.877E+012 12.769
0.00283166 353.150 -49.802 101.377 -85.603 4.599E+012 12.663
0.00279213 358.150 -49.087 103.386 -86.115 3.635E+012 12.561
0.00275368 363.150 -48.355 105.417 -86.637 2.902E+012 12.463
0.00271628 368.150 -47.601 107.477 -87.169 2.339E+012 12.369

Formula FM Conc. Amount Amount Volume


g/mol wt-% mol g l or ml
Cd(+2a) 112.410 77.269 1.000 112.410 0.000
HS(-a) 33.068 22.731 1.000 33.068 0.000
g/mol wt-% mol g l or ml
CdS 144.470 99.307 1.000 144.470 29.911
H(+a) 1.008 0.693 1.000 1.008 0.000

CdOH(+a) + HS(-a) = CdS + H2O


1/T T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
0.00359518 278.150 -115.759 74.248 -136.411 4.160E+025 25.619
0.0035317 283.150 -114.709 77.990 -136.791 1.726E+025 25.237
0.00347041 288.150 -113.749 81.349 -137.190 7.435E+024 24.871
0.00341122 293.150 -112.858 84.415 -137.604 3.318E+024 24.521
0.00335402 298.150 -112.016 87.264 -138.034 1.531E+024 24.185
0.0032987 303.150 -111.208 89.952 -138.477 7.284E+023 23.862
0.00324517 308.150 -110.421 92.525 -138.933 3.569E+023 23.553
0.00319336 313.150 -109.648 95.015 -139.402 1.798E+023 23.255
0.00314317 318.150 -108.881 97.445 -139.883 9.295E+022 22.968
0.00309454 323.150 -108.117 99.828 -140.376 4.927E+022 22.693
0.00304739 328.150 -107.355 102.168 -140.881 2.674E+022 22.427
0.00300165 333.150 -106.595 104.465 -141.398 1.485E+022 22.172
0.00295727 338.150 -105.833 106.735 -141.926 8.421E+021 21.925
0.00291418 343.150 -105.063 108.996 -142.465 4.875E+021 21.688
0.00287233 348.150 -104.284 111.252 -143.016 2.878E+021 21.459
0.00283166 353.150 -103.493 113.507 -143.578 1.732E+021 21.238
0.00279213 358.150 -102.689 115.767 -144.151 1.061E+021 21.026
0.00275368 363.150 -101.870 118.037 -144.735 6.609E+020 20.820
0.00271628 368.150 -101.034 120.323 -145.331 4.187E+020 20.622

Formula FM Conc. Amount Amount Volume


g/mol wt-% mol g l or ml
CdOH(+a) 129.417 79.649 1.000 129.417 0.000
HS(-a) 33.068 20.351 1.000 33.068 0.000
g/mol wt-% mol g l or ml
CdS 144.470 88.913 1.000 144.470 29.911
H2O 18.015 11.087 1.000 18.015 19.646
H2O 18.015 11.087 1.000 18.015 19.646
Eh
Eh(Volts)
(Volts) SS--H2O
H2O--System
Systemat
at5.00
5.00CC
2.0
2.0

1.5
1.5

1.0
1.0

0.5
0.5

0.0
0.0
H2S(a)
H2S(a) HS(-a)
HS(-a) S(-2a)
S(-2a)
-0.5
-0.5

-1.0
-1.0

-1.5
-1.5
H
H22O
O lim
limits
its
H
H22O
O lim
limits
its
-2.0
-2.0
00 22 44 66 88 10
10 12
12 14
14 16
16 18
18 20
20
20
20
C:\HSC6\EpH\S5.iep
C:\HSC6\EpH\S5.iep pH
pH
pH
pH
ELEMENTS
ELEMENTS Molality
Molality Pressure
Pressure
SS 1.000E-02
1.000E-02 1.000E+00
1.000E+00

1/T

0.00359518
0.0035317
G=H+S*T 0.00347041
A B R^2 0.00341122
-37.305744 -0.0108166 0.88475444 0.00335402
-0.0108166 -37.305744 0.0032987
0.0009468 0.30706062 0.00324517
0.8847544 0.11302471 0.00319336
130.51111 17 0.00314317
1.6672252 0.21716793 0.00309454
0.00304739
LogK = A + B(1/T) 0.00300165
A' B' R^2 0.00295727
0.59617382 1938.79213 0.9988417 0.00291418
1938.79213 0.59617382 0.00287233
16.0128968 0.0500951 0.00283166
0.9988417 0.01859803 0.00279213
14659.6192 17 0.00275368
5.07056604 0.00588007 0.00271628

ml
ml

ml
ml

1/T

0.00359518
G=H+S*T 0.0035317
A B R^2 0.00347041
-54.200368 -0.0888198 0.99637851 0.00341122
-0.0888198 -54.200368 0.00335402
0.0012987 0.42118712 0.0032987
0.9963785 0.15503307 0.00324517
4677.1943 17 0.00319336
112.41755 0.40859929 0.00314317
0.00309454
LogK = A + B(1/T) 0.00304739
A' B' R^2 0.00300165
4.5972254 2845.09834 0.99899747 0.00295727
2845.09834 4.59722538 0.00291418
21.8594424 0.06838556 0.00287233
0.99899747 0.02538844 0.00283166
16940.117 17 0.00279213
10.9191419 0.01095774 0.00275368
0.00271628

ml
ml

ml
ml

1/T

0.00359518
0.0035317
G=H+S*T 0.00347041
A B R^2 0.00341122
-108.44168 -0.0993819 0.99643435 0.00335402
-0.0993819 -108.44168 0.0032987
0.0014419 0.46761232 0.00324517
0.9964343 0.17212154 0.00319336
4750.714 17 0.00314317
140.74381 0.50363899 0.00309454
0.00304739
LogK = A + B(1/T) 0.00300165
A' B' R^2 0.00295727
5.1443217 5680.10938 0.99969106 0.00291418
5680.10938 5.1443217 0.00287233
24.2180234 0.0757642 0.00283166
0.99969106 0.02812779 0.00279213
55009.2859 17 0.00275368
43.5218494 0.01344994 0.00271628

ml
ml

ml
ml
ml
De los graficos de Cd-H2O Y S-H2O obtenemos las ecuaciones:

1 Cd (+2a) + H2S(a) = CdS + 2H(a)

2 Cd (+2a) + HS (-a) = CdS + H(a)

3 CdOH(+a) + HS (-a) = CdS + H2O

4 CdO(a) + HS(-a) + H(+a) = CdS + H2O

H
H22O
O lim
limits
its 5 HCdO2(-a) + S(-2a) + 3H(+a) = CdS + 2H2O
20
20
pH
pH
6 Cd(OH)4(-2a) + S(-2a) + 4H(+a) = CdS + 4H2O

CdO(a) + HS(-a) + H(+a) = CdS + H2O


T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -175.126 71.841 -195.108 4.396E+036 36.643
283.150 -173.434 77.871 -195.483 1.162E+036 36.065
288.150 -171.892 83.270 -195.886 3.253E+035 35.512
293.150 -170.466 88.177 -196.315 9.617E+034 34.983
298.150 -169.128 92.703 -196.767 2.990E+034 34.476
303.150 -167.855 96.936 -197.241 9.743E+033 33.989
308.150 -166.630 100.945 -197.736 3.320E+033 33.521
313.150 -165.438 104.780 -198.250 1.179E+033 33.072
318.150 -164.272 108.475 -198.784 4.360E+032 32.639
323.150 -163.126 112.051 -199.335 1.673E+032 32.224
328.150 -161.997 115.516 -199.904 6.655E+031 31.823
333.150 -160.888 118.871 -200.490 2.738E+031 31.437
338.150 -159.789 122.146 -201.092 1.163E+031 31.066
343.150 -158.694 125.361 -201.711 5.096E+030 30.707
348.150 -157.601 128.523 -202.346 2.299E+030 30.361
353.150 -156.508 131.640 -202.996 1.066E+030 30.028
358.150 -155.413 134.718 -203.662 5.079E+029 29.706
363.150 -154.314 137.765 -204.343 2.482E+029 29.395
368.150 -153.209 140.786 -205.040 1.243E+029 29.094

Formula FM Conc. Amount Amount Volume


g/mol wt-% mol g l or ml
CdO(a) 128.409 79.028 1.000 128.409 0.000 ml
HS(-a) 33.068 20.351 1.000 33.068 0.000 ml
H(+a) 1.008 0.620 1.000 1.008 0.000 ml
g/mol wt-% mol g l or ml
CdS 144.470 88.913 1.000 144.470 29.911 ml
H2O 18.015 11.087 1.000 18.015 19.646 ml

HCdO2(-a) + S(-2a) + 3H(+a) = CdS + 2H2O


T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -269.172 250.716 -338.908 4.466E+063 63.650
283.150 -267.686 256.011 -340.175 5.750E+062 62.760
288.150 -266.157 261.363 -341.468 8.038E+061 61.905
293.150 -264.581 266.785 -342.789 1.215E+061 61.085
298.150 -262.954 272.288 -344.136 1.978E+060 60.296
303.150 -261.274 277.874 -345.512 3.458E+059 59.539
308.150 -259.541 283.543 -346.915 6.466E+058 58.811
313.150 -257.755 289.293 -348.347 1.290E+058 58.111
318.150 -255.918 295.115 -349.808 2.736E+057 57.437
323.150 -254.030 301.001 -351.299 6.157E+056 56.789
328.150 -252.096 306.939 -352.818 1.466E+056 56.166
333.150 -250.120 312.916 -354.368 3.682E+055 55.566
338.150 -248.103 318.926 -355.948 9.738E+054 54.988
343.150 -246.043 324.972 -357.557 2.706E+054 54.432
348.150 -243.944 331.047 -359.197 7.882E+053 53.897
353.150 -241.805 337.146 -360.868 2.402E+053 53.381
358.150 -239.628 343.266 -362.569 7.648E+052 52.884
363.150 -237.415 349.404 -364.301 2.538E+052 52.405
368.150 -235.164 355.559 -366.063 8.767E+051 51.943

Formula FM Conc. Amount Amount Volume


g/mol wt-% mol g l or ml
HCdO2(-a) 145.417 80.563 1.000 145.417 0.000 ml
S(-2a) 32.060 17.762 1.000 32.060 0.000 ml
H(+a) 1.008 1.675 3.000 3.024 0.000 ml
g/mol wt-% mol g l or ml
CdS 144.470 80.039 1.000 144.470 29.911 ml
H2O 18.015 19.961 2.000 36.030 39.292 ml

Cd(OH)4(-2a) + S(-2a) + 4H(+a) = CdS + 4H2O


T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
278.150 -343.303 268.358 -417.947 3.119E+078 78.494
283.150 -340.313 279.012 -419.315 2.293E+077 77.360
288.150 -337.224 289.827 -420.737 1.887E+076 76.276
293.150 -334.043 300.771 -422.214 1.730E+075 75.238
298.150 -330.777 311.818 -423.745 1.756E+074 74.245
303.150 -327.431 322.944 -425.332 1.965E+073 73.293
308.150 -324.013 334.129 -426.975 2.414E+072 72.383
313.150 -320.525 345.355 -428.673 3.238E+071 71.510
318.150 -316.974 356.605 -430.428 4.727E+070 70.675
323.150 -313.363 367.866 -432.239 7.480E+069 69.874
328.150 -309.697 379.126 -434.107 1.278E+069 69.107
333.150 -305.978 390.373 -436.031 2.350E+068 68.371
338.150 -302.210 401.599 -438.010 4.633E+067 67.666
343.150 -298.395 412.796 -440.046 9.770E+066 66.990
348.150 -294.537 423.958 -442.138 2.196E+066 66.342
353.150 -290.638 435.078 -444.286 5.249E+065 65.720
358.150 -286.700 446.151 -446.489 1.330E+065 65.124
363.150 -282.725 457.174 -448.747 3.566E+064 64.552
368.150 -278.714 468.144 -451.061 1.009E+064 64.004

Cd(OH)4(-2a) Extrapolated from 300.000 K

Formula FM Conc. Amount Amount Volume


g/mol wt-% mol g l or ml
Cd(OH)4(-2a) 180.439 83.332 1.000 180.439 0.000 ml
S(-2a) 32.060 14.806 1.000 32.060 0.000 ml
H(+a) 1.008 1.862 4.000 4.032 0.000 ml
g/mol wt-% mol g l or ml
CdS 144.470 66.720 1.000 144.470 29.911 ml
H2O 18.015 33.280 4.000 72.061 78.583 ml
K1=[𝐶𝑑𝑆][𝐻]2/ 1 Cd (+2a) + H2
(
[𝐶𝑑][𝐻2𝑆]) 2 Cd (+2a) + HS
K2=[𝐶𝑑𝑆][𝐻]/ 3 CdOH(+a) + H
( [𝐶𝑑][𝐻𝑆]) 4 CdO(a) + HS(-a)
K3=[𝐶𝑑𝑆][𝐻2𝑂]/ 5 HCdO2(-a) + S(-2a)
( [𝐶𝑑𝑂𝐻][𝐻𝑆]) 6 Cd(OH)4(-2a) + S(-2
K4=[𝐶𝑑𝑆][𝐻2𝑂]/
( [𝐶𝑑𝑂][𝐻𝑆][𝐻] )
CdS + 2H2O K5=[𝐶𝑑𝑆][𝐻2𝑂]2/
De las ecuaciones obtenidas obten
(
[𝐻𝐶𝑑𝑂2][𝑆][𝐻]3)
= CdS + 4H2O K6=[𝐶𝑑𝑆][𝐻2𝑂]4/
(
[𝐶𝑑(𝑂𝐻)4][𝑆][𝐻]4) [Cd]= [𝐶𝑑𝑆][𝐻]2/( 𝐾
( 𝐾3[𝐻𝑆]) + [𝐶𝑑𝑆][
[𝐶𝑑𝑆][𝐻2𝑂]4/( 𝐾6[𝑆
De ahí eliminamos los solidos:

[Cd]= [�] �/( � �[� �


[�] ) + �/( � �[𝑺][

G=H+S*T Consideraremos que para cada ecuación el


A B R^2
-163.74739 -0.1109618 0.99362153
-0.1109618 -163.74739
0.0021562 0.69928632
0.9936215 0.25739749
2648.2148 17
175.45341 1.12630891 pH [H]
0 1
LogK = A + B(1/T) 0.5 0.316227766
A' B' R^2 1 0.1
5.7257222 8576.79786 0.99969511 1.5 0.031622777
8576.79786 5.72572221 2 0.01
36.3278417 0.11364882 2.5 0.003162278
0.99969511 0.04219263 3 0.001
55740.538 17 3.5 0.000316228
99.2302976 0.0302637 4 0.0001
4.5 3.16228E-05
5 0.00001
5.5 3.16228E-06
6 0.000001
6.5 3.16228E-07
7 0.0000001
7.5 3.16228E-08
8 0.00000001
8.5 3.16228E-09
9 0.000000001
9.5 3.16228E-10
10 1E-10
10.5 3.16228E-11
11 1E-11
11.5 3.16228E-12
G=H+S*T 12 1E-12
A B R^2 12.5 3.16228E-13
-254.31685 -0.3014777 0.99775396 13 1E-13
-0.3014777 -254.31685 13.5 3.16228E-14
0.0034692 1.12508754 14 1E-14
0.997754 0.41412894 14.5 3.16228E-15
7551.862 17 15 1E-15
1295.1653 2.91554725 15.5 3.16228E-16
16 1E-16
LogK = A + B(1/T) 16.5 3.16228E-17
A' B' R^2 17 1E-17
15.635695 13321.7023 0.99967983 17.5 3.16228E-18
13321.7023 15.6356949 18 1E-18
57.8224425 0.180893 18.5 3.16228E-19
0.99967983 0.06715733 19 1E-19
53079.4708 17 19.5 3.16228E-20
239.394073 0.07667181 20 1E-20
G=H+S*T
A B R^2
-314.19377 -0.3678981 0.99452834
-0.3678981 -314.19377
0.0066184 2.14640832
0.9945283 0.79006279
3089.9164 17
1928.7234 10.6113867

LogK = A + B(1/T)
A' B' R^2
19.002328 16482.8091 0.9992361
16482.8091 19.0023278
110.533098 0.34579417
0.9992361 0.12837762
22237.0806 17
366.485168 0.28017382
Log K K(HSC) K (Es
5° C 5° C A'

Cd (+2a) + H2S(a) = CdS + 2H(+a) 7.530 3.386E+007 0.5961738201


Cd (+2a) + HS (-a) = CdS + H(+a) 14.875 7.505E+014 4.5972253815
CdOH(+a) + HS (-a) = CdS + H2O 25.619 4.160E+025 5.144321704
CdO(a) + HS(-a) + H(+a) = CdS + H2O 36.643 4.396E+036 5.7257222112
HCdO2(-a) + S(-2a) + 3H(+a) = CdS + 2H2O 63.650 4.466E+063 15.635694863
Cd(OH)4(-2a) + S(-2a) + 4H(+a) = CdS + 4H2O 78.494 3.119E+078 19.002327766

cuaciones obtenidas obtendremos que el Cd total será:

]= [𝐶𝑑𝑆][𝐻]2/( 𝐾1[𝐻2𝑆]) + [𝐶𝑑𝑆][𝐻]/( 𝐾2[𝐻𝑆]) + [𝐶𝑑𝑆][𝐻2𝑂]/


3[𝐻𝑆]) + [𝐶𝑑𝑆][𝐻2𝑂]/( 𝐾4[𝐻𝑆][𝐻] ) + [𝐶𝑑𝑆][𝐻2𝑂] 𝐾5[𝑆][𝐻]3)
2/(

𝑆][𝐻2𝑂]4/( 𝐾6[𝑆][𝐻]4)
liminamos los solidos:

= [�] �/( � �[� �𝑺]) + [�]/( � �[�𝑺]) + �/( � �[�𝑺]) + �/( �


) + �/( � �[𝑺][�] �) + �/( � �[𝑺][�] �)

remos que para cada ecuación el azufre que se usara es: ∑S = 1.00E-02

[Cd]= [Cd]= ([H])/ [Cd]= 1/(


〖 [H] 〗 ^2 (K_2 [HS] ) [HS] )
/(K_1 [H_2
Cd (+2a) + H2S(a) = CdS + 2H(+a) Cd (+2a) + HS (-a) = CdS + H(+a) CdOH(+a) + HS (-a

S]) [Cd]
2.71340556502808E-06
Log [Cd]
-5.5664852886
[Cd]
1.49323090842861E-13
Log [Cd]
-12.8258730292
[Cd]
2.72049990842955E-24
2.71340556502808E-07 -6.5664852886 4.72201074319673E-14 -13.3258730292 2.72049990842955E-24
2.71340556502808E-08 -7.5664852886 1.49323090842861E-14 -13.8258730292 2.72049990842955E-24
2.71340556502808E-09 -8.5664852886 4.72201074319673E-15 -14.3258730292 2.72049990842955E-24
2.71340556502808E-10 -9.5664852886 1.49323090842861E-15 -14.8258730292 2.72049990842955E-24
2.71340556502808E-11 -10.5664852886 4.72201074319673E-16 -15.3258730292 2.72049990842955E-24
2.71340556502808E-12 -11.5664852886 1.49323090842861E-16 -15.8258730292 2.72049990842955E-24
2.71340556502808E-13 -12.5664852886 4.72201074319673E-17 -16.3258730292 2.72049990842955E-24
2.71340556502808E-14 -13.5664852886 1.49323090842861E-17 -16.8258730292 2.72049990842955E-24
2.71340556502808E-15 -14.5664852886 4.72201074319673E-18 -17.3258730292 2.72049990842955E-24
2.71340556502808E-16 -15.5664852886 1.49323090842861E-18 -17.8258730292 2.72049990842955E-24
2.71340556502808E-17 -16.5664852886 4.72201074319673E-19 -18.3258730292 2.72049990842955E-24
2.71340556502808E-18 -17.5664852886 1.49323090842861E-19 -18.8258730292 2.72049990842955E-24
2.71340556502808E-19 -18.5664852886 4.72201074319673E-20 -19.3258730292 2.72049990842955E-24
2.71340556502808E-20 -19.5664852886 1.49323090842861E-20 -19.8258730292 2.72049990842955E-24
2.71340556502808E-21 -20.5664852886 4.72201074319673E-21 -20.3258730292 2.72049990842955E-24
2.71340556502808E-22 -21.5664852886 1.49323090842861E-21 -20.8258730292 2.72049990842955E-24
2.71340556502808E-23 -22.5664852886 4.72201074319673E-22 -21.3258730292 2.72049990842955E-24
2.71340556502808E-24 -23.5664852886 1.49323090842861E-22 -21.8258730292 2.72049990842955E-24
2.71340556502808E-25 -24.5664852886 4.72201074319673E-23 -22.3258730292 2.72049990842955E-24
2.71340556502808E-26 -25.5664852886 1.49323090842861E-23 -22.8258730292 2.72049990842955E-24
2.71340556502808E-27 -26.5664852886 4.72201074319673E-24 -23.3258730292 2.72049990842955E-24
2.71340556502808E-28 -27.5664852886 1.49323090842861E-24 -23.8258730292 2.72049990842955E-24
2.71340556502808E-29 -28.5664852886 4.72201074319673E-25 -24.3258730292 2.72049990842955E-24
2.71340556502808E-30 -29.5664852886 1.49323090842861E-25 -24.8258730292 2.72049990842955E-24
2.71340556502808E-31 -30.5664852886 4.72201074319673E-26 -25.3258730292 2.72049990842955E-24
2.71340556502808E-32 -31.5664852886 1.49323090842861E-26 -25.8258730292 2.72049990842955E-24
2.71340556502808E-33 -32.5664852886 4.72201074319673E-27 -26.3258730292 2.72049990842955E-24
2.71340556502808E-34 -33.5664852886 1.49323090842861E-27 -26.8258730292 2.72049990842955E-24
2.71340556502808E-35 -34.5664852886 4.72201074319673E-28 -27.3258730292 2.72049990842955E-24
2.71340556502808E-36 -35.5664852886 1.49323090842861E-28 -27.8258730292 2.72049990842955E-24
2.71340556502808E-37 -36.5664852886 4.72201074319673E-29 -28.3258730292 2.72049990842955E-24
2.71340556502808E-38 -37.5664852886 1.49323090842861E-29 -28.8258730292 2.72049990842955E-24
2.71340556502808E-39 -38.5664852886 4.72201074319673E-30 -29.3258730292 2.72049990842955E-24
2.71340556502808E-40 -39.5664852886 1.49323090842861E-30 -29.8258730292 2.72049990842955E-24
2.71340556502808E-41 -40.5664852886 4.72201074319673E-31 -30.3258730292 2.72049990842955E-24
2.71340556502808E-42 -41.5664852886 1.49323090842861E-31 -30.8258730292 2.72049990842955E-24
2.71340556502808E-43 -42.5664852886 4.72201074319673E-32 -31.3258730292 2.72049990842955E-24
2.71340556502808E-44 -43.5664852886 1.49323090842861E-32 -31.8258730292 2.72049990842955E-24
2.71340556502808E-45 -44.5664852886 4.72201074319673E-33 -32.3258730292 2.72049990842955E-24
2.71340556502808E-46 -45.5664852886 1.49323090842861E-33 -32.8258730292 2.72049990842955E-24

10

0
0 5
10

0
0 5

-10

-20

-30

-40

-50

-60

-70

-80

-90
K (Estimación lineal)
B' Log K K

1938.792135 7.5664852886 36854055.76


2845.098343 14.8258730292 6.69689E+14
5680.109378 25.5653512844 3.6758E+25
8576.797857 36.5608753925 3.63811E+36

13321.70232 63.5296453163 3.38568E+63


16482.80911 78.2610339089 1.82404E+78

𝑑𝑆][𝐻2𝑂]/
/(
𝐾5[𝑆][𝐻]3) +

𝑺]) + �/( � �[�𝑺]

[Cd]= 1/(K_3 [Cd]= 1/(K_4 [Cd]= 1/(


[HS] ) [HS][𝐻] ) [S] 〖 [H]
CdOH(+a) + HS (-a) = CdS + H2O CdO(a) + HS(-a) + H(+a) = CdS + H2O ^3 )+ S(-2a) + 3H(
HCdO2(-a)
[Cd] Log [Cd] [Cd] Log [Cd] [Cd]
.72049990842955E-24 -23.5653512844 2.74868269027293E-35 -34.5608753925 2.95362043242224E-62
.72049990842955E-24 -23.5653512844 8.6920978663416E-35 -34.0608753925 9.34016791006571E-61
.72049990842955E-24 -23.5653512844 2.74868269027293E-34 -33.5608753925 2.95362043242224E-59
.72049990842955E-24 -23.5653512844 8.69209786634161E-34 -33.0608753925 9.34016791006572E-58
.72049990842955E-24 -23.5653512844 2.74868269027293E-33 -32.5608753925 2.95362043242224E-56
.72049990842955E-24 -23.5653512844 8.6920978663416E-33 -32.0608753925 9.34016791006572E-55
.72049990842955E-24 -23.5653512844 2.74868269027293E-32 -31.5608753925 2.95362043242224E-53
.72049990842955E-24 -23.5653512844 8.6920978663416E-32 -31.0608753925 9.34016791006572E-52
.72049990842955E-24 -23.5653512844 2.74868269027293E-31 -30.5608753925 2.95362043242224E-50
.72049990842955E-24 -23.5653512844 8.6920978663416E-31 -30.0608753925 9.34016791006571E-49
.72049990842955E-24 -23.5653512844 2.74868269027293E-30 -29.5608753925 2.95362043242224E-47
.72049990842955E-24 -23.5653512844 8.6920978663416E-30 -29.0608753925 9.34016791006572E-46
.72049990842955E-24 -23.5653512844 2.74868269027293E-29 -28.5608753925 2.95362043242224E-44
.72049990842955E-24 -23.5653512844 8.69209786634161E-29 -28.0608753925 9.34016791006572E-43
.72049990842955E-24 -23.5653512844 2.74868269027293E-28 -27.5608753925 2.95362043242224E-41
.72049990842955E-24 -23.5653512844 8.69209786634161E-28 -27.0608753925 9.34016791006572E-40
.72049990842955E-24 -23.5653512844 2.74868269027293E-27 -26.5608753925 2.95362043242224E-38
.72049990842955E-24 -23.5653512844 8.6920978663416E-27 -26.0608753925 9.34016791006572E-37
.72049990842955E-24 -23.5653512844 2.74868269027293E-26 -25.5608753925 2.95362043242224E-35
.72049990842955E-24 -23.5653512844 8.6920978663416E-26 -25.0608753925 9.34016791006572E-34
.72049990842955E-24 -23.5653512844 2.74868269027293E-25 -24.5608753925 2.95362043242224E-32
.72049990842955E-24 -23.5653512844 8.6920978663416E-25 -24.0608753925 9.34016791006571E-31
.72049990842955E-24 -23.5653512844 2.74868269027293E-24 -23.5608753925 2.95362043242224E-29
.72049990842955E-24 -23.5653512844 8.69209786634161E-24 -23.0608753925 9.34016791006571E-28
.72049990842955E-24 -23.5653512844 2.74868269027293E-23 -22.5608753925 2.95362043242224E-26
.72049990842955E-24 -23.5653512844 8.69209786634161E-23 -22.0608753925 9.34016791006572E-25
.72049990842955E-24 -23.5653512844 2.74868269027293E-22 -21.5608753925 2.95362043242224E-23
.72049990842955E-24 -23.5653512844 8.6920978663416E-22 -21.0608753925 9.34016791006571E-22
.72049990842955E-24 -23.5653512844 2.74868269027293E-21 -20.5608753925 2.95362043242224E-20
.72049990842955E-24 -23.5653512844 8.6920978663416E-21 -20.0608753925 9.34016791006572E-19
.72049990842955E-24 -23.5653512844 2.74868269027293E-20 -19.5608753925 2.95362043242224E-17
.72049990842955E-24 -23.5653512844 8.69209786634161E-20 -19.0608753925 9.34016791006572E-16
.72049990842955E-24 -23.5653512844 2.74868269027293E-19 -18.5608753925 2.95362043242224E-14
.72049990842955E-24 -23.5653512844 8.6920978663416E-19 -18.0608753925 9.34016791006571E-13
.72049990842955E-24 -23.5653512844 2.74868269027293E-18 -17.5608753925 2.95362043242224E-11
.72049990842955E-24 -23.5653512844 8.6920978663416E-18 -17.0608753925 9.34016791006571E-10
.72049990842955E-24 -23.5653512844 2.74868269027293E-17 -16.5608753925 2.95362043242224E-08
.72049990842955E-24 -23.5653512844 8.69209786634161E-17 -16.0608753925 0.000000934
.72049990842955E-24 -23.5653512844 2.74868269027293E-16 -15.5608753925 2.95362043242224E-05
.72049990842955E-24 -23.5653512844 8.6920978663416E-16 -15.0608753925 0.0009340168
.72049990842955E-24 -23.5653512844 2.74868269027293E-15 -14.5608753925 0.0295362043

5 10 15 20 25
5 10 15 20 25

Cd (+2a) + H2S(a) = Cd
Cd (+2a) + HS (-a) = Cd
CdOH(+a) + HS (-a) = C
CdO(a) + HS(-a) + H(+a
HCdO2(-a) + S(-2a) + 3
Cd(OH)4(-2a) + S(-2a)
Log[∑Cd]
[Cd]= 1/(K_5 [Cd]= 1/(K_6
[S] 〖 [H] 〗 [S] 〖 [H] 〗
^3 )+ S(-2a) + 3H(+a) = CdS + 2H2O
HCdO2(-a) ^4 ) + S(-2a) + 4H(+a) = CdS + 4H2O
Cd(OH)4(-2a)
[Cd] Log [Cd] [Cd] Log [Cd]
.95362043242224E-62 -61.5296453163 5.48234158142025E-77 -76.2610339089
.34016791006571E-61 -60.0296453163 5.48234158142025E-75 -74.2610339089
.95362043242224E-59 -58.5296453163 5.48234158142025E-73 -72.2610339089
.34016791006572E-58 -57.0296453163 5.48234158142025E-71 -70.2610339089
.95362043242224E-56 -55.5296453163 5.48234158142025E-69 -68.2610339089
.34016791006572E-55 -54.0296453163 5.48234158142025E-67 -66.2610339089
.95362043242224E-53 -52.5296453163 5.48234158142025E-65 -64.2610339089
.34016791006572E-52 -51.0296453163 5.48234158142025E-63 -62.2610339089
.95362043242224E-50 -49.5296453163 5.48234158142025E-61 -60.2610339089
.34016791006571E-49 -48.0296453163 5.48234158142025E-59 -58.2610339089
.95362043242224E-47 -46.5296453163 5.48234158142025E-57 -56.2610339089
.34016791006572E-46 -45.0296453163 5.48234158142025E-55 -54.2610339089
.95362043242224E-44 -43.5296453163 5.48234158142025E-53 -52.2610339089
.34016791006572E-43 -42.0296453163 5.48234158142025E-51 -50.2610339089
.95362043242224E-41 -40.5296453163 5.48234158142025E-49 -48.2610339089
.34016791006572E-40 -39.0296453163 5.48234158142025E-47 -46.2610339089
.95362043242224E-38 -37.5296453163 5.48234158142025E-45 -44.2610339089
.34016791006572E-37 -36.0296453163 5.48234158142025E-43 -42.2610339089
.95362043242224E-35 -34.5296453163 5.48234158142025E-41 -40.2610339089
.34016791006572E-34 -33.0296453163 5.48234158142025E-39 -38.2610339089
.95362043242224E-32 -31.5296453163 5.48234158142025E-37 -36.2610339089
.34016791006571E-31 -30.0296453163 5.48234158142025E-35 -34.2610339089
.95362043242224E-29 -28.5296453163 5.48234158142025E-33 -32.2610339089
.34016791006571E-28 -27.0296453163 5.48234158142025E-31 -30.2610339089
.95362043242224E-26 -25.5296453163 5.48234158142025E-29 -28.2610339089
.34016791006572E-25 -24.0296453163 5.48234158142025E-27 -26.2610339089
.95362043242224E-23 -22.5296453163 5.48234158142025E-25 -24.2610339089
.34016791006571E-22 -21.0296453163 5.48234158142025E-23 -22.2610339089
.95362043242224E-20 -19.5296453163 5.48234158142025E-21 -20.2610339089
.34016791006572E-19 -18.0296453163 5.48234158142025E-19 -18.2610339089
.95362043242224E-17 -16.5296453163 5.48234158142025E-17 -16.2610339089
.34016791006572E-16 -15.0296453163 5.48234158142025E-15 -14.2610339089
.95362043242224E-14 -13.5296453163 5.48234158142025E-13 -12.2610339089
.34016791006571E-13 -12.0296453163 5.48234158142025E-11 -10.2610339089
.95362043242224E-11 -10.5296453163 5.48234158142025E-09 -8.2610339089
.34016791006571E-10 -9.0296453163 5.48234158142025E-07 -6.2610339089
.95362043242224E-08 -7.5296453163 5.48234158142025E-05 -4.2610339089
0.000000934 -6.0296453163 0.0054823416 -2.2610339089
.95362043242224E-05 -4.5296453163 0.5482341581 -0.2610339089
0.0009340168 -3.0296453163 54.8234158142 1.7389660911
0.0295362043 -1.5296453163 5482.3415814203 3.7389660911
Cd (+2a) + H2S(a) = CdS + 2H(+a)
Cd (+2a) + HS (-a) = CdS + H(+a)
CdOH(+a) + HS (-a) = CdS + H2O
CdO(a) + HS(-a) + H(+a) = CdS + H2O
HCdO2(-a) + S(-2a) + 3H(+a) = CdS + 2H2O
Cd(OH)4(-2a) + S(-2a) + 4H(+a) = CdS + 4H2O
Log[∑Cd]
∑[Cd] Log[∑Cd]

1.4932309E-13 -12.8258730292
2.713406E-07 -6.566485213
2.7134071E-08 -7.5664850496
2.7134103E-09 -8.5664845328
2.7134205E-10 -9.5664828986
2.7134528E-11 -10.5664777309
2.7135549E-12 -11.5664613894
2.7138778E-13 -12.566409717
2.7148988E-14 -13.5662463551
2.7181276E-15 -14.565730163
2.7283379E-16 -15.5641018438
2.7606259E-17 -16.5589924348
2.8627314E-18 -17.543219402
3.1856338E-19 -18.4968041432
4.2069086E-20 -19.3760369285
7.4381377E-21 -20.1285357873
1.7672947E-21 -20.7526910216
5.0206432E-22 -21.2992406396
1.5478448E-22 -21.8102725787
5.0298869E-23 -22.2984417813
1.7954811E-23 -22.7458191537
8.3144348E-24 -23.0801672691
6.9627144E-24 -23.1572214192
1.1885761E-23 -22.9249730233
3.0386244E-23 -22.5173229842
9.0628198E-23 -22.0427366548
3.0768814E-22 -21.5118892439
1.8607752E-21 -20.7303060872
3.7769951E-20 -19.4228535833
1.4909458E-18 -17.8265381534
8.438711E-17 -16.0737238877
6.4164453E-15 -14.192705504
5.7777064E-13 -12.238244533
5.5757433E-11 -10.2536972251
5.5118778E-09 -8.2587004203
5.4916817E-07 -6.2602946387
0.000054853 -4.2607999951
0.0054832756 -2.2609599252
0.5482636943 -0.2610105119
54.824349831 1.73897349
5482.3711176 3.7389684309