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

1/T T deltaH deltaS deltaG

K^(-1) K kJ J/K kJ
0.00359518 278.150 -28.984 36.413 -39.113
0.0035317 283.150 -27.131 43.019 -39.312
0.00347041 288.150 -25.458 48.876 -39.542
0.00341122 293.150 -23.922 54.160 -39.799
0.00335402 298.150 -22.492 59.000 -40.082
0.0032987 303.150 -21.141 63.494 -40.389
0.00324517 308.150 -19.849 67.719 -40.717
0.00319336 313.150 -18.603 71.731 -41.066
0.00314317 318.150 -17.391 75.572 -41.434
0.00309454 323.150 -16.205 79.269 -41.821
0.00304739 328.150 -15.042 82.841 -42.226
0.00300165 333.150 -13.899 86.297 -42.649
0.00295727 338.150 -12.770 89.663 -43.089
0.00291418 343.150 -11.647 92.958 -43.546
0.00287233 348.150 -10.529 96.194 -44.019
0.00283166 353.150 -9.412 99.380 -44.508
0.00279213 358.150 -8.293 102.524 -45.012
0.00275368 363.150 -7.171 105.636 -45.533
0.00271628 368.150 -6.043 108.723 -46.069

Formula FM Conc. Amount

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

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

1/T T deltaH deltaS deltaG
K^(-1) K kJ J/K kJ
0.00359518 278.150 -49.081 82.074 -71.910
0.0035317 283.150 -49.334 81.171 -72.318
0.00347041 288.150 -49.421 80.864 -72.722
0.00341122 293.150 -49.370 81.039 -73.127
0.00335402 298.150 -49.204 81.602 -73.533
0.0032987 303.150 -48.941 82.476 -73.944
0.00324517 308.150 -48.598 83.599 -74.359
0.00319336 313.150 -48.187 84.921 -74.780
0.00314317 318.150 -47.718 86.405 -75.208
0.00309454 323.150 -47.200 88.022 -75.644
0.00304739 328.150 -46.636 89.753 -76.089
0.00300165 333.150 -46.030 91.587 -76.542
0.00295727 338.150 -45.389 93.496 -77.004
0.00291418 343.150 -44.721 95.457 -77.477
0.00287233 348.150 -44.030 97.456 -77.959
0.00283166 353.150 -43.319 99.482 -78.451
0.00279213 358.150 -42.593 101.523 -78.954
0.00275368 363.150 -41.855 103.570 -79.467
0.00271628 368.150 -41.109 105.612 -79.990

Formula FM Conc. Amount

g/mol wt-% mol
H(+a) 1.008 3.048 1.000
S(-2a) 32.060 96.952 1.000
g/mol wt-% mol
HS(-a) 33.068 100.000 1.000

H(+a) + CN(-a) = HCN(a)

1/T T deltaH deltaS deltaG
K^(-1) K kJ J/K kJ
0.00359518 278.150 -49.198 10.768 -52.193
0.0035317 283.150 -47.576 16.550 -52.262
0.00347041 288.150 -46.110 21.682 -52.358
0.00341122 293.150 -44.766 26.308 -52.478
0.00335402 298.150 -43.514 30.543 -52.620
0.0032987 303.150 -42.330 34.479 -52.783
0.00324517 308.150 -41.198 38.185 -52.964
0.00319336 313.150 -40.102 41.714 -53.164
0.00314317 318.150 -39.033 45.101 -53.381
0.00309454 323.150 -37.985 48.367 -53.615
0.00304739 328.150 -36.957 51.524 -53.865
0.00300165 333.150 -35.951 54.568 -54.130
0.00295727 338.150 -34.956 57.531 -54.410
0.00291418 343.150 -33.967 60.436 -54.705
0.00287233 348.150 -32.981 63.288 -55.015
0.00283166 353.150 -31.996 66.095 -55.338
0.00279213 358.150 -31.011 68.865 -55.676
0.00275368 363.150 -30.024 71.604 -56.027
0.00271628 368.150 -29.032 74.317 -56.391

Formula FM Conc. Amount

g/mol wt-% mol
H(+a) 1.008 3.729 1.000
CN(-a) 26.018 96.271 1.000
g/mol wt-% mol
HCN(a) 27.026 100.000 1.000
 K Log(K)

2.217E+007 7.346
1.789E+007 7.253 B' A'
1.474E+007 7.169 906.306208 4.001
1.237E+007 7.092 37.867 0.118
1.054E+007 7.023 0.971 0.044
9.116E+006 6.960 572.833 17.000
7.990E+006 6.903 1.108 0.033
7.087E+006 6.850
6.358E+006 6.803
5.763E+006 6.761 B' A'
5.274E+006 6.722 906.306 4.001
4.870E+006 6.688 37.867 0.118
4.536E+006 6.657 0.971 0.044
4.257E+006 6.629 572.833 17.000
4.026E+006 6.605 1.108 0.033
3.835E+006 6.584
3.676E+006 6.565
3.547E+006 6.550
3.443E+006 6.537

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

K Log(K)

3.201E+013 13.505
2.198E+013 13.342 B' A'
1.527E+013 13.184 2462.0669 4.62828699
1.074E+013 13.031 14.8828026 0.04655969
7.653E+012 12.884 0.9993792 0.01728549
5.521E+012 12.742 27367.1931 17
4.033E+012 12.606 8.17699334 0.0050794
2.983E+012 12.475
2.233E+012 12.349
1.692E+012 12.228
1.296E+012 12.113
1.005E+012 12.002
7.871E+011 11.896
6.232E+011 11.795
4.984E+011 11.698
4.025E+011 11.605
3.281E+011 11.516
2.699E+011 11.431
2.240E+011 11.350

Amount Volume
g l or ml
1.008 0.000 ml
32.060 0.000 ml
g l or ml
33.068 0.000 ml

K Log(K)

6.344E+009 9.802
4.384E+009 9.642
3.104E+009 9.492 B' A'
2.246E+009 9.351 2036.68222 2.40424639
1.658E+009 9.220 33.3182055 0.10423341
1.246E+009 9.096 0.99547108 0.03869711
9.523E+008 8.979 3736.6579 17
7.392E+008 8.869 5.59552046 0.02545693
5.821E+008 8.765
4.647E+008 8.667
3.757E+008 8.575
3.075E+008 8.488
2.544E+008 8.406
2.128E+008 8.328
1.798E+008 8.255
1.534E+008 8.186
1.320E+008 8.121
1.147E+008 8.059
1.004E+008 8.002

Amount Volume
g l or ml
1.008 0.000 ml
26.018 0.000 ml
g l or ml
27.026 0.000 ml
1.- Del sistema Me(+2) -H2O calcular sus diagramas de Solubilidad Predominancia y Bjer
Considere como especie slida solamente al MeO y entre las especies acuosas considere
y cuando la base de datos cuente con esta especie.

2.- Determinar los diagramas de solubilidad del MeCO3 y MeS corresponientes a 5C,25
concentracion totla de CO3(2-)=10^(-3) M y S(2-)=10^(-3) M respectivamente, se rec
PH de 0 a 14, pero en algunos casos puede ser mejor extenderlo de -4 a 20.

3.- De acuerdo al ECA del MINAM, sealar para los tres solidos considerados si cumplen c
segn los LMP para las A1 y A3.
olubilidad Predominancia y Bjerrum a 5c, 25C y 95C.
las especies acuosas considere el MeO(a) siempre

MeS corresponientes a 5C,25C y 95C. Considere una

^(-3) M respectivamente, se recomienda considerar un rango de
enderlo de -4 a 20.

lidos considerados si cumplen con eliminar el metal pesado

 Reaccin 1 : k1
Fe(+2a) + H2O(l) = FeOH(+a) + H(+a)
1/T T deltaH deltaS deltaG K Log(K)
K kJ J/K kJ
0.004 278.150 50.676 -8.466 53.031 1.097E-010 -9.960
0.004 283.150 50.937 -7.536 53.071 1.618E-010 -9.791
0.003 288.150 51.135 -6.841 53.106 2.357E-010 -9.628
0.003 293.150 51.286 -6.322 53.139 3.393E-010 -9.469
0.003 298.150 51.400 -5.935 53.170 4.831E-010 -9.316
0.003 303.150 51.488 -5.642 53.199 6.804E-010 -9.167
0.003 308.150 51.557 -5.417 53.226 9.480E-010 -9.023
0.003 313.150 51.613 -5.239 53.253 1.307E-009 -8.884
0.003 318.150 51.658 -5.093 53.279 1.786E-009 -8.748
0.003 323.150 51.697 -4.973 53.304 2.416E-009 -8.617
0.003 328.150 51.729 -4.875 53.329 3.240E-009 -8.490
0.003 333.150 51.754 -4.800 53.353 4.306E-009 -8.366
0.003 338.150 51.775 -4.737 53.377 5.677E-009 -8.246
0.003 343.150 51.796 -4.676 53.400 7.425E-009 -8.129
0.003 348.150 51.816 -4.617 53.423 9.637E-009 -8.016
0.003 353.150 51.838 -4.556 53.446 1.242E-008 -7.906
0.003 358.150 51.861 -4.490 53.469 1.589E-008 -7.799
0.003 363.150 51.887 -4.419 53.491 2.020E-008 -7.695
0.003 368.150 51.916 -4.339 53.513 2.551E-008 -7.593
0.003 373.150 51.950 -4.248 53.535 3.202E-008 -7.495

B' A'
-2696 -0.2726
1.631 0.0051
1 0.002
### 18
11.12 7E-005

Para
Logk1
k1= A' + Sabiendo
B'*(1/T) que A' -0.2726278 B' -2695.861
Para
Logk1
k2= A' + Sabiendo
B'*(1/T) que A' -0.2040572 B' -3247.206
Para
Logk1
k3= A' + Sabiendo
B'*(1/T) que A' -4.7783978 B' -1206.53

C K 1/T Logk1 Logk2 Logk3 k1

5 278 0.003597 -9.970E+000 -11.884655 -9.1184331 1.07E-010
25 298 0.003356 -9.319E+000 -11.100722 -8.8271556 4.80E-010
95 368 0.002717 -7.598E+000 -9.0279871 -8.0570115 2.52E-008
 Reaccin 2: k2
FeOH(+a) = FeO(a) + H(+a)
1/T T deltaH deltaS deltaG K
K kJ J/K kJ
0.003595 278.150 64.779 5.133 63.352 1.265E-012
0.003532 283.150 64.360 3.638 63.330 2.071E-012
0.00347 288.150 63.978 2.302 63.315 3.323E-012
0.003411 293.150 63.628 1.097 63.307 5.234E-012
0.003354 298.150 63.304 0.000 63.304 8.100E-012
0.003299 303.150 63.001 -1.006 63.306 1.233E-011
0.003245 308.150 62.717 -1.937 63.314 1.848E-011
0.003193 313.150 62.449 -2.801 63.326 2.730E-011
0.003143 318.150 62.194 -3.607 63.342 3.977E-011
0.003095 323.150 61.953 -4.360 63.362 5.718E-011
0.003047 328.150 61.724 -5.062 63.385 8.120E-011
0.003002 333.150 61.509 -5.714 63.412 1.140E-010
0.002957 338.150 61.304 -6.325 63.442 1.582E-010
0.002914 343.150 61.109 -6.896 63.475 2.172E-010
0.002872 348.150 60.925 -7.428 63.511 2.953E-010
0.002832 353.150 60.751 -7.924 63.550 3.977E-010
0.002792 358.150 60.588 -8.383 63.590 5.307E-010
0.002754 363.150 60.435 -8.808 63.633 7.020E-010
0.002716 368.150 60.292 -9.197 63.678 9.211E-010
0.00268 373.150 60.161 -9.553 63.725 1.199E-009

B' A'
-3247.206 -0.20405724
7.638732 0.0237376131
0.9999 0.009450143
180707.9 18
16.13816 0.0016074936

k2 k3
1.30E-012 7.61E-010
7.93E-012 1.49E-009
9.38E-010 8.77E-009
 Reaccin 3: k3
FeO(a) + H2O(l) = HFeO2(-a) + H(+a)
Log(K) 1/T T deltaH deltaS
K kJ J/K
-11.898 0.00359518 278.150 22.610 -93.225
-11.684 0.0035317 283.150 22.853 -92.360
-11.478 0.00347041 288.150 23.041 -91.701
-11.281 0.00341122 293.150 23.182 -91.213
-11.092 0.00335402 298.150 23.284 -90.870
-10.909 0.0032987 303.150 23.351 -90.649
-10.733 0.00324517 308.150 23.386 -90.532
-10.564 0.00319336 313.150 23.393 -90.509
-10.400 0.00314317 318.150 23.375 -90.568
-10.243 0.00309454 323.150 23.331 -90.704
-10.090 0.00304739 328.150 23.263 -90.913
-9.943 0.00300165 333.150 23.169 -91.196
-9.801 0.00295727 338.150 23.055 -91.537
-9.663 0.00291418 343.150 22.917 -91.940
-9.530 0.00287233 348.150 22.758 -92.402
-9.400 0.00283166 353.150 22.575 -92.923
-9.275 0.00279213 358.150 22.369 -93.502
-9.154 0.00275368 363.150 22.140 -94.138
-9.036 0.00271628 368.150 21.885 -94.833
-8.921 0.00267989 373.150 21.605 -95.589

B' A'
-1206.52982 -4.77839781
2.05606462 0.00638929
0.99994773 0.00254363
344351.995 18
2.22797514 0.00011646
deltaG K Log(K)
kJ
48.541 7.650E-010 -9.116
49.004 9.100E-010 -9.041
49.464 1.078E-009 -8.967
49.922 1.271E-009 -8.896
50.377 1.491E-009 -8.827
50.831 1.741E-009 -8.759
51.284 2.024E-009 -8.694
51.736 2.341E-009 -8.631
52.189 2.697E-009 -8.569
52.642 3.091E-009 -8.510
53.096 3.528E-009 -8.452
53.551 4.009E-009 -8.397
54.008 4.535E-009 -8.343
54.467 5.109E-009 -8.292
54.928 5.732E-009 -8.242
55.391 6.404E-009 -8.194
55.857 7.126E-009 -8.147
56.326 7.898E-009 -8.102
56.798 8.721E-009 -8.059
57.274 9.592E-009 -8.018
C K
5 278
25 298
95 368

n = k1*k2*k3 + k1*k2*[H+] + k1*([H+]^2) + [H+]^3

[Fe2+]/[Fe2+]total = (([H+]^3)/n)
[FeOH+]/[Fe2+]total = ((k1*[H+]^2)/n)
[FeO(a)]/[Fe2+]total = ((k1*k2*[H+])/n)
[HFeO2-]/[Fe2+]total = ((k1*k2*k3)/n)

pH H

0.0 1
0.5 0.316227766
1.0 0.1
1.5 0.0316227766
2.0 0.01
2.5 0.0031622777
3.0 0.001
3.5 0.0003162278
4.0 0.0001
4.5 3.1622776602E-005
5.0 0.00001
5.5 3.1622776602E-006
6.0 0.000001
6.5 3.1622776602E-007
7.0 0.0000001
7.5 3.1622776602E-008
8.0 0.00000001
8.5 3.1622776602E-009
9.0 0.000000001
9.5 3.1622776602E-010
10.0 1E-010
10.5 3.1622776602E-011
11.0 1E-011
11.5 3.1622776602E-012
12.0 1E-012
12.5 3.1622776602E-013
13.0 1E-013
13.5 3.1622776602E-014
14.0 1E-014
14.5 3.1622776602E-015
15.0 1E-015
15.5 3.1622776602E-016
16.0 1E-016
16.5 3.1622776602E-017
17.0 1E-017
17.5 3.1622776602E-018
18.0 1E-018

Diagrama de Predominancia a T = 5C
 1/T Logk1 Logk2 Logk3
0.0035971223 -9.9699705677 -11.8846549889 -9.1184331417
0.0033557047 -9.3191421957 -11.1007222541 -8.8271556024
0.0027173913 -7.5983378317 -9.0279870612 -8.0570114565

1*([H+]^2) + [H+]^3

Se ha hecho en tanto por uno (1)

[FeOH+]/
n [Fe2+]/ [Fe2+]total [FeO(a)]/ [Fe2+]total
[Fe2+]total
1.0000000001 0.9999999999 1.0715919250E-010 1.3975728119E-022
0.0316227766 0.9999999997 3.3886712043E-010 1.3975728116E-021
0.001 0.9999999989 1.0715919239E-009 1.3975728106E-020
3.1622776709E-005 0.9999999966 3.3886711940E-009 1.3975728073E-019
0.000001 0.9999999893 1.0715919136E-008 1.3975727971E-018
3.1622777673E-008 0.9999999661 3.3886710906E-008 1.3975727647E-017
0.000000001 0.9999998928 1.0715918102E-007 1.3975726623E-016
3.1622787318E-011 0.9999996611 3.3886700571E-007 1.3975723385E-015
1.0000010716E-012 0.9999989284 1.0715907768E-006 1.3975713144E-014
3.1622883761E-014 0.9999966113 3.3886597224E-006 1.3975680762E-013
1.0000107159E-015 0.9999892842 1.0715804421E-005 1.3975578360E-012
3.1623848194E-017 0.9999661144 3.3885563784E-005 1.3975254545E-011
1.0001071593E-018 0.9998928521 0.0001071477 1.3974230652E-010
3.1633492565E-020 0.9996612463 0.0003387523 1.3970993791E-009
1.0010716060E-021 0.9989295411 0.0010704448 0.000000014
3.1729940320E-023 0.9966226309 0.0033772264 1.3928526929E-007
1.0107174232E-024 0.989396222 0.01060229 1.3827532602E-006
3.2694916878E-026 0.9672077381 0.0327754901 1.3517432384E-005
1.1074053497E-027 0.9030117114 0.0967660058 0.0001262025
4.2489290905E-029 0.7442528677 0.2522028262 0.0010401476
2.1919675733E-030 0.4562111284 0.4888721613 0.0063758827
2.4960140246E-031 0.1266931046 0.4293212756 0.0177062839
1.1951341213E-031 0.0083672617 0.0896629011 0.0116938575
1.0794508610E-031 0.0002929524 0.0099271951 0.0040942237
1.0664783654E-031 9.3766552835E-006 0.0010047948 0.0013104558
1.0645486275E-031 2.9705337818E-007 0.0001006616 0.0004151537
1.0641496839E-031 9.3971742428E-009 1.0069936037E-005 0.0001313324
1.0640444677E-031 2.9719412638E-010 1.0070931785E-006 0.000041535
1.0640132836E-031 9.3983789057E-012 1.0071226944E-007 1.3134918836E-005
1.0640036309E-031 2.9720553279E-013 1.0071318311E-008 4.1536637222E-006
 1.0640005993E-031 9.3984909465E-015 0.000000001 1.3135075421E-006
1.0639996428E-031 2.9720664680E-016 1.0071356061E-010 4.1536792913E-007
1.0639993405E-031 9.3985020664E-018 1.0071358922E-011 1.3135090962E-007
1.0639992449E-031 2.9720675793E-019 1.0071359827E-012 4.1536808445E-008
1.0639992147E-031 9.3985031775E-021 1.0071360113E-013 1.3135092515E-008
1.0639992051E-031 2.9720676904E-022 1.0071360203E-014 4.1536809998E-009
1.0639992021E-031 9.3985032886E-024 1.0071360232E-015 1.3135092670E-009

ma de Predominancia a T = 5C

[Fe2+]/[Fe2+]total
[FeOH+]/[Fe2+]total
[FeO(a)]/[Fe2+]total
[HFeO2-]/[Fe2+]total
k1 k2 k3
1.0715919251E-010 1.3042024481E-012 7.6131933271E-010
4.7957640115E-010 7.9300832382E-012 1.4888275533E-009
2.5215185546E-008 9.3758993985E-010 8.7697768659E-009

[Fe2+]total 0.001

[HFeO2-]/
Log([Fe2+]) Log([FeOH+] Log[FeO(a)]
[Fe2+]total
1.0639992006E-031 -3 -12.9699705677 -24.8546255566
3.3646609017E-030 -3.0000000001 -12.4699705678 -23.8546255567
1.0639991996E-028 -3.0000000005 -11.9699705681 -22.854625557
3.3646608914E-027 -3.0000000015 -11.4699705691 -21.854625558
1.0639991893E-025 -3.0000000047 -10.9699705723 -20.8546255612
3.3646607888E-024 -3.0000000147 -10.4699705824 -19.8546255713
1.0639990867E-022 -3.0000000465 -9.9699706142 -18.8546256031
3.3646597626E-021 -3.0000001472 -9.4699707148 -17.8546257037
1.0639980605E-019 -3.0000004654 -8.969971033 -16.854626022
3.3646495011E-018 -3.0000014717 -8.4699720393 -15.8546270282
1.0639877991E-016 -3.0000046538 -7.9699752215 -14.8546302104
3.3645468893E-015 -3.0000147166 -7.4699852842 -13.8546402731
1.0638851955E-013 -3.0000465362 -6.9700171039 -12.8546720928
3.3635211114E-012 -3.0001471438 -6.4701177115 -11.8547727004
1.0628602333E-010 -3.0004651434 -5.9704357111 -10.8550907
3.3532972012E-009 -3.0014692552 -5.4714398229 -9.8560948118
1.0527167893E-007 -3.0046297523 -4.97460032 -8.8592553089
3.2543260614E-006 -3.0144802376 -4.4844508052 -7.8691057941
9.6080373910E-005 -3.0443066172 -4.0142771849 -6.8989321738
0.0025041585 -3.1282794833 -3.598250051 -5.9829050399
0.0485408276 -3.3408341251 -3.3108046928 -5.1954596817
0.4262793359 -3.8972470212 -3.3672175889 -4.7518725778
0.8902759797 -5.0774166458 -4.0473872134 -4.9320422023
0.9856856288 -6.5332028771 -5.0031734447 -5.3878284336
0.9976753727 -8.0279520498 -5.9979226174 -5.8825776064
0.9994838876 -9.5271655043 -6.997136072 -6.3817910609
0.9998585883 -11.0270027204 -7.996973288 -6.8816282769
0.9999574576 -12.526959778 -8.9969303457 -7.3815853346
0.9999867644 -14.0269470499 -9.9969176176 -7.8815726065
0.9999958363 -15.52694311 -10.9969136777 -8.3815686666
0.9999986855 -17.0269418726 -11.9969124403 -8.8815674292
0.9999995845 -18.5269414821 -12.9969120498 -9.3815670387
0.9999998686 -20.0269413588 -13.9969119264 -9.8815669153
0.9999999585 -21.5269413197 -14.9969118874 -10.3815668763
0.9999999869 -23.0269413074 -15.9969118751 -10.881566864
0.9999999958 -24.5269413035 -16.9969118712 -11.3815668601
0.9999999987 -26.0269413023 -17.9969118699 -11.8815668588

Diagrama de Bjerrum a T =5C

Log([Fe2+]) Log([FeOH+] Log[FeO(a)] Log[HFeO2-]

 Log[HFeO2-]

-33.9730586983
-32.4730586984
-30.9730586988
-29.4730586998
-27.9730587029
-26.473058713
-24.9730587448
-23.4730588455
-21.9730591637
-20.47306017
-18.9730633521
-17.4730734149
-15.9731052345
-14.4732058421
-12.9735238417
-11.4745279535
-9.9776884506
-8.4875389359
-7.0173653155
-5.6013381816
-4.3138928234
-3.3703057195
-3.0504753441
-3.0062615754
-3.0010107481
-3.0002242026
-3.0000614187
-3.0000184763
-3.0000057482
-3.0000018083
 -3.0000005709
-3.0000001804
-3.000000057
-3.000000018
-3.0000000057
-3.0000000018
-3.0000000006

Log[HFeO2-]
[Fe2+]total 0.001
C K 1/T Logk1 Logk2
5 278 0.0035971 -9.9699705677 -11.884654989
25 298 0.0033557 -9.3191421957 -11.100722254
95 368 0.0027174 -7.5983378317 -9.0279870612

n = k1*k2*k3 + k1*k2*[H+] + k1*([H+]^2) + [H+]^3

[Fe2+]/[Fe2+]total = (([H+]^3)/n)
[FeOH+]/[Fe2+]total = ((k1*[H+]^2)/n)
[FeO(a)]/[Fe2+]total = ((k1*k2*[H+])/n)
[HFeO2-]/[Fe2+]total = ((k1*k2*k3)/n)

[Fe2+]/ [FeOH+]/
pH H n
[Fe2+]total [Fe2+]total
0.0 1 1 1.071592E-010
0.5 0.316228 0.0316228 0.9999999985 3.388671E-010
1.0 0.1 0.001 0.9999999952 1.071592E-009
1.5 0.031623 3.16E-005 0.9999999848 3.388671E-009
2.0 0.01 0.000001 0.999999952 1.071592E-008
2.5 0.003162 3.16E-008 0.9999998483 3.388671E-008
3.0 0.001 1.00E-009 0.9999995204 1.071591E-007
3.5 0.000316 3.16E-011 0.9999984834 3.388666E-007
4.0 0.0001 1.00E-012 0.9999952043 1.071587E-006
4.5 3.2E-005 3.16E-014 0.9999848347 3.388620E-006
5.0 0.00001 1.00E-015 0.9999520446 1.071541E-005
5.5 3.2E-006 3.16E-017 0.9998483672 3.388157E-005
6.0 0.000001 1.00E-018 0.9995206497 0.0001071078
6.5 3.2E-007 3.17E-020 0.9984857046 0.000338354
7.0 1.0E-007 1.00E-021 0.9952267433 0.0010664769
7.5 3.2E-008 3.21E-023 0.9850571562 0.0033380348
8.0 1.0E-008 1.05E-024 0.9541972595 0.0102251008
8.5 3.2E-009 3.64E-026 0.867893779 0.0294100666
9.0 1.0E-009 1.49E-027 0.6715729037 0.0719652101
9.5 3.2E-010 8.64E-029 0.3658130356 0.12396201
10.0 1E-010 1.18E-029 0.0844722763 0.0905198091
10.5 3.2E-011 6.29E-030 0.005024597 0.0170267072
11.0 1E-011 5.75E-030 0.0001739397 0.0018639234
11.5 3.2E-012 5.68E-030 5.568385E-006 0.0001886943
12.0 1E-012 5.67E-030 1.764784E-007 1.891129E-005
12.5 3.2E-013 5.66E-030 5.583726E-009 1.892141E-006
13.0 1E-013 5.66E-030 1.765999E-010 1.892431E-007
13.5 3.2E-014 5.66E-030 5.584841E-012 1.892519E-008
14.0 1E-014 5.66E-030 1.766107E-013 1.892547E-009
14.5 3.2E-015 5.66E-030 5.584948E-015 1.892555E-010
15.0 1E-015 5.66E-030 1.766118E-016 1.892558E-011
15.5 3.2E-016 5.66E-030 5.584959E-018 1.892559E-012
16.0 1E-016 5.66E-030 1.766119E-019 1.892559E-013
16.5 3.2E-017 5.66E-030 5.584960E-021 1.892559E-014
17.0 1E-017 5.66E-030 1.766119E-022 1.892559E-015
17.5 3.2E-018 5.66E-030 5.584960E-024 1.892559E-016
18.0 1E-018 5.66E-030 1.766119E-025 1.892559E-017

Diagrama de Predominancia a T = 25C

[Fe2
[FeO
[FeO
[HFe
Logk3 k1 k2 k3
-9.1184331417 1.071592E-010 1.3042024E-012 7.6131933E-010
-8.8271556024 4.795764E-010 7.9300832E-012 1.4888276E-009
-8.0570114565 2.521519E-008 9.3758994E-010 8.7697769E-009

[Fe2+]total

[FeO(a)]/ [HFeO2-]/
Log([Fe2+]) Log([FeOH+]) Log([FeO(a)])
[Fe2+]total [Fe2+]total
1.397573E-022 1.063999E-031 -3.0000000002 -12.9699705679 -24.8546255568
1.397573E-021 3.364661E-030 -3.0000000007 -12.4699705683 -23.8546255572
1.397573E-020 1.063999E-028 -3.0000000021 -11.9699705697 -22.8546255586
1.397573E-019 3.364661E-027 -3.0000000066 -11.4699705742 -21.8546255632
1.397573E-018 1.063999E-025 -3.0000000208 -10.9699705885 -20.8546255774
1.397573E-017 3.364660E-024 -3.0000000659 -10.4699706335 -19.8546256224
1.397572E-016 1.063999E-022 -3.0000002083 -9.9699707759 -18.8546257648
1.397571E-015 3.364656E-021 -3.0000006586 -9.4699712263 -17.8546262152
1.397566E-014 1.063994E-019 -3.0000020828 -8.9699726504 -16.8546276393
1.397552E-013 3.364610E-018 -3.0000065863 -8.4699771539 -15.8546321428
1.397506E-012 1.063948E-016 -3.0000208273 -7.9699913949 -14.8546463838
1.397361E-011 3.364151E-015 -3.0000658583 -7.4700364259 -13.8546914148
1.396903E-010 1.063489E-013 -3.0002082291 -6.9701787968 -12.8548337857
1.395456E-009 3.359566E-012 -3.0006581486 -6.4706287162 -11.8552837051
1.390902E-008 1.058920E-010 -3.0020779623 -5.97204853 -10.8567035189
1.376689E-007 3.314383E-009 -3.0065385696 -5.4765091372 -9.8611641262
1.333560E-006 1.015265E-007 -3.0203618351 -4.9903324027 -8.8749873916
1.212945E-005 2.920168E-006 -3.0615334246 -4.5315039923 -7.9161589812
9.385720E-005 7.145530E-005 -3.1729068349 -4.1428774026 -7.0275323915
0.0005112504 0.0012308368 -3.4367408227 -3.9067113903 -6.2913663792
0.0011805616 0.0089878434 -4.0732858028 -4.0432563705 -5.9279113594
0.000702224 0.0169060651 -5.2988987648 -4.7688693325 -6.1535243214
0.0002430933 0.0185071666 -6.7596013662 -5.7295719338 -6.6142269227
7.782224E-005 0.0187357275 -8.2542707397 -6.7242413074 -7.1088962963
2.466414E-005 0.0187772901 -9.7533083869 -7.7232789545 -7.6079339434
7.803664E-006 0.0187873462 -11.2530758624 -8.7230464301 -8.107701419
2.468113E-006 0.0187902179 -12.7530094849 -9.7229800526 -8.6076350415
 7.805222E-007 0.0187910952 -14.2529892089 -10.7229597766 -9.1076147655
2.468264E-007 0.0187913695 -15.7529828685 -11.7229534361 -9.607608425
7.805371E-008 0.018791456 -17.2529808706 -12.7229514383 -10.1076064272
2.468279E-008 0.0187914833 -18.7529802395 -13.7229508072 -10.6076057961
7.805386E-009 0.0187914919 -20.25298004 -14.7229506077 -11.1076055966
2.468280E-009 0.0187914947 -21.752979977 -15.7229505446 -11.6076055335
7.805388E-010 0.0187914955 -23.252979957 -16.7229505247 -12.1076055136
2.468280E-010 0.0187914958 -24.7529799507 -17.7229505184 -12.6076055073
7.805388E-011 0.0187914959 -26.2529799487 -18.7229505164 -13.1076055053
2.468280E-011 0.0187914959 -27.7529799481 -19.7229505157 -13.6076055046

ia a T = 25C Diagrama de Bjerrum a T=25C

[Fe2+]/[Fe2+]total
[FeOH+]/[Fe2+]total
[FeO(a)]/[Fe2+]total
[HFeO2-]/[Fe2+]total

Log([Fe2+]) Log([FeOH+] Log[FeO(a)] Log[HFeO

 0.001

Log([HFeO2-])

-33.9730586985
-32.473058699
-30.9730587004
-29.4730587049
-27.9730587191
-26.4730587642
-24.9730589066
-23.4730593569
-21.9730607811
-20.4730652846
-18.9730795255
-17.4731245566
-15.9732669274
-14.4737168469
-12.9751366606
-11.4795972679
-9.9934205334
-8.5345921229
-7.1459655332
-5.909799521
-5.0463445011
-4.7719574631
-4.7326600645
-4.727329438
-4.7263670852
-4.7261345607
-4.7260681832
 -4.7260479072
-4.7260415668
-4.7260395689
-4.7260389378
-4.7260387383
-4.7260386752
-4.7260386553
-4.726038649
-4.726038647
-4.7260386464

um a T=25C

Log[FeO(a)] Log[HFeO2-]
C K 1/T Logk1
5 278 0.00359712 -9.9699705677
25 298 0.0033557 -9.3191421957
95 368 0.00271739 -7.5983378317

n = k1*k2*k3 + k1*k2*[H+] + k1*([H+]^2) + [H+]^3

[Fe2+]/[Fe2+]total = (([H+]^3)/n)
[FeOH+]/[Fe2+]total = ((k1*[H+]^2)/n)
[FeO(a)]/[Fe2+]total = ((k1*k2*[H+])/n)
[HFeO2-]/[Fe2+]total = ((k1*k2*k3)/n)

[Fe2+]/
pH H n
[Fe2+]total
0 1 1.00000003 0.9999999748
0.5 0.31622777 0.03162278 0.9999999203
1 0.1 0.001 0.9999997478
1.5 0.03162278 3.1623E-005 0.9999992026
2 0.01 0.000001 0.9999974785
2.5 0.00316228 3.1623E-008 0.9999920263
3 0.001 1.0000E-009 0.9999747854
3.5 0.00031623 3.1625E-011 0.9999202687
4 0.0001 1.0003E-012 0.9997479093
4.5 3.162E-005 3.1648E-014 0.9992032375
5 0.00001 1.0025E-015 0.9974845881
5.5 3.162E-006 3.1875E-017 0.9920870025
6 0.000001 1.0252E-018 0.9753822928
6.5 3.162E-007 3.4152E-020 0.9259427392
7 0.0000001 1.2547E-021 0.7969884442
7.5 3.162E-008 5.7793E-023 0.5471740478
8 0.00000001 3.9653E-024 0.2521899981
8.5 3.162E-009 5.6587E-025 0.0558838259
9 1.000E-009 2.5719E-025 0.0038882153
9.5 3.162E-010 2.1736E-025 0.0001454857
10 1E-010 2.0995E-025 4.76308374E-006
10.5 3.162E-011 2.0810E-025 0.000000152
11 1E-011 2.0757E-025 4.81765988E-009
11.5 3.162E-012 2.0741E-025 1.52468191E-010
12 1E-012 2.0735E-025 4.82266147E-012
12.5 3.162E-013 2.0734E-025 1.52517853E-013
13 1E-013 2.0733E-025 4.82315697E-015
13.5 3.162E-014 2.0733E-025 1.52522805E-016
14 1E-014 2.0733E-025 4.82320648E-018
14.5 3.162E-015 2.0733E-025 1.52523300E-019
 15 1E-015 2.0733E-025 4.82321143E-021
15.5 3.162E-016 2.0733E-025 1.52523349E-022
16 1E-016 2.0733E-025 4.82321192E-024
16.5 3.162E-017 2.0733E-025 1.52523354E-025
17 1E-017 2.0733E-025 4.82321197E-027
17.5 3.162E-018 2.0733E-025 1.52523355E-028
18 1E-018 2.0733E-025 4.82321198E-030

Diagrama de Predominancia
 Logk2 Logk3 k1 k2
-11.8846549889 -9.1184331417 1.07159193E-010 1.304202448E-012
-11.1007222541 -8.8271556024 4.79576401E-010 7.930083238E-012
-9.0279870612 -8.0570114565 2.52151855E-008 9.375899399E-010

+ [H+]^3

[FeOH+]/ [FeO(a)]/ [HFeO2-]/

Log([Fe2+])
[Fe2+]total [Fe2+]total [Fe2+]total
1.07159190E-010 1.39757278E-022 1.06399917E-031 -3.000000011
3.38867094E-010 1.39757270E-021 3.36466063E-030 -3.0000000346
1.07159165E-009 1.39757246E-020 1.06399893E-028 -3.0000001095
3.38866850E-009 1.39757170E-019 3.36465822E-027 -3.0000003463
1.07158922E-008 1.39756929E-018 1.06399652E-025 -3.0000010951
3.38864419E-008 1.39756167E-017 3.36463407E-024 -3.0000034629
1.07156491E-007 1.39753757E-016 1.06397237E-022 -3.0000109507
3.38840102E-007 1.39746138E-015 3.36439263E-021 -3.0000346282
1.07132179E-006 1.39722050E-014 1.06373098E-019 -3.0001094954
0.000003386 1.39645928E-013 3.36198007E-018 -3.0003461675
0.000010689 1.39405734E-012 1.06132280E-016 -3.0010938058
3.36185666E-005 1.38651382E-011 3.33803635E-015 -3.0034502401
0.0001045212 1.36316777E-010 1.03780598E-013 -3.0108251329
0.0003137715 1.29407240E-009 3.11548333E-012 -3.0334158695
0.0008540464 1.11384938E-008 8.47995068E-011 -3.0985479755
0.0018541929 7.64715573E-008 1.84105513E-009 -3.2618745092
0.0027024477 3.52453885E-007 2.68329956E-008 -3.5982721417
0.0018937191 0.000000781 0.000000188 -4.2527138691
0.000416658 5.43406392E-007 4.13705792E-007 -5.4102497004
4.93003371E-005 2.03326928E-007 4.89510214E-007 -6.8371795433
5.10408208E-006 6.65675634E-008 5.06791730E-007 -8.3221117827
5.14932013E-007 2.12370849E-008 5.11283482E-007 -9.8182795395
5.16256543E-008 6.73303047E-009 5.12598626E-007 -11.3171638636
5.16664569E-009 2.13085399E-009 0.000000513 -12.8168207519
5.16792509E-010 6.74002056E-010 5.13130795E-007 -14.3167132223
5.16832858E-011 2.13154805E-010 5.13170858E-007 -15.8166793157
5.16845607E-012 6.74071306E-011 5.13183517E-007 -17.3166686033
5.16849637E-013 2.13161725E-011 5.13187518E-007 -18.8166652167
5.16850912E-014 6.74078224E-012 5.13188784E-007 -20.3166641458
5.16851314E-015 2.13162417E-012 5.13189184E-007 -21.8166638072
 5.16851442E-016 6.74078916E-013 5.13189310E-007 -23.3166637001
5.16851482E-017 2.13162486E-013 5.13189350E-007 -24.8166636663
5.16851495E-018 6.74078985E-014 5.13189363E-007 -26.3166636555
5.16851499E-019 2.13162493E-014 5.13189367E-007 -27.8166636522
5.16851500E-020 6.74078992E-015 5.13189368E-007 -29.3166636511
5.16851501E-021 2.13162494E-015 5.13189369E-007 -30.8166636508
5.16851501E-022 6.74078993E-016 5.13189369E-007 -32.3166636506

ama de Predominancia a T=95C Diagrama de

[Fe2+]/[Fe2+]total
[FeOH+]/[Fe2+]total
[FeO(a)]/[Fe2+]total
[HFeO2-]/[Fe2+]total

Log([Fe2+]) Log([FeO
k3
7.613193327E-010
1.488827553E-009
8.769776866E-009

[Fe2+]total 0.001

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

-12.9699705786 -24.8546255675 -33.9730587092

-12.4699706023 -23.8546255912 -32.4730587329
-11.9699706772 -22.8546256661 -30.9730588078
-11.469970914 -21.8546259029 -29.4730590446
-10.9699716627 -20.8546266516 -27.9730597934
-10.4699740306 -19.8546290195 -26.4730621612
-9.9699815183 -18.8546365073 -24.973069649
-9.4700051959 -17.8546601848 -23.4730933265
-8.970080063 -16.8547350519 -21.9731681937
-8.4703167351 -15.854971724 -20.4734048658
-7.9710643734 -14.8557193623 -18.9741525041
-7.4734208078 -13.8580757967 -17.4765089384
-6.9807957006 -12.8654506895 -15.9838838312
-6.5033864372 -11.8880414261 -14.5064745678
-6.0685185432 -10.9531735321 -13.0716066738
-5.7318450768 -10.1165000657 -11.7349332074
-5.5682427093 -9.4528976982 -10.5713308399
-5.7226844368 -9.1073394257 -9.7257725674
-6.3802202681 -9.264875257 -9.3833083987
-7.307150111 -9.6918050999 -9.3102382416
-8.2920823504 -10.1767373393 -9.295170481
-9.2882501072 -10.6729050961 -9.2913382378
-10.2871344312 -11.1717894201 -9.2902225619
-11.2867913195 -11.6714463084 -9.2898794502
-12.28668379 -12.1713387789 -9.2897719206
-13.2866498834 -12.6713048723 -9.289738014
-14.2866391709 -13.1712941598 -9.2897273016
-15.2866357843 -13.6712907732 -9.289723915
-16.2866347135 -14.1712897024 -9.2897228441
-17.2866343749 -14.6712893638 -9.2897225055
-18.2866342678 -15.1712892567 -9.2897223984
-19.2866342339 -15.6712892228 -9.2897223645
-20.2866342232 -16.1712892121 -9.2897223538
-21.2866342198 -16.6712892087 -9.2897223505
-22.2866342188 -17.1712892077 -9.2897223494
-23.2866342184 -17.6712892073 -9.289722349
-24.2866342183 -18.1712892072 -9.2897223489

Diagrama de Bjerrum a T=95C

Log([Fe2+]) Log([FeOH+] Log[FeO(a)] Log[HFeO2-]

Eh (Volts) Fe - H2O - System at 5.00 C
2.0

1.5

1.0

0.5

0.0

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

-0.5

-1.0

-1.5

H 2 O L im its
-2.0
0 2 4 6 8 10 12 14

C:\HSC6\EpH\Fe5.iep pH

ELEMENTS Molality Pressure

Fe 1.000E+03 1.000E+00

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

2.0

1.5

1.0

0.5

0.0

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

-0.5

-1.0

-1.5

H 2O L im its
-2.0
0 2 4 6 8 10 12 14

C:\HSC6\EpH\Fe5.iep pH

ELEMENTS Molality Pressure

Fe 1.000E+00 1.000E+00

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

2.0

1.5

1.0

0.5

0.0
2.0

1.5

1.0

0.5

0.0

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

-0.5

-1.0

-1.5

H 2 O L im its
-2.0
0 2 4 6 8 10 12 14

C:\HSC6\EpH\Fe5.iep pH

ELEMENTS Molality Pressure

Fe 1.000E+00 1.000E+00
HFeO2(-a)

H 2 O L im its

12 14

pH

FeO2(-a)

H 2O L im its

12 14

pH
(-a)

H 2 O L im its

12 14

pH