Hi Tom,
thanks for the answer at first. But i doesn't understand the part with the mosaic diagram. I'll give you an example what I mean.
1.)
I have the chemical analysis.
Sample ID Tropfstein Loesung
pH 2.58 2.58
Eh mV 852 728
Temperature C 15 15
Na molal 0.01945 0.01945
Mg molal 752.1E-6 752.1E-6
Al molal 0.002368 0.002368
Si as
SiO2(aq)molal 0.001144 0.001144
K molal 0.001219 0.001219
Ca molal 0.004193 0.004193
Mn molal 178.9E-6 178.9E-6
Fe molal 0.006705 0.006705
U as UO2++ molal 287E-6 287E-6
Zn molal 270.6E-6 270.6E-6
Cl molal 0.0012 0.0012
SO4-- molal 0.02517 0.02517
2.)
this data I putted in to specE8 with the follow inputfile
temperature = 15
H2O = 1 free kg
Na+ = .01945 molal
Mg++ = .0007521 molal
Al+++ = .002368 molal
SiO2(aq) = .001144 molal
K+ = .001219 molal
Ca++ = .004193 molal
Mn++ = .0001789 molal
Zn++ = .0002706 molal
Cl- = .0012 molal
SO4-- = .02517 molal
swap UO2++ for U++++
UO2++ = .000287 molal
pH = 2.58
swap e- for O2(aq)
Eh(mV) = 728
swap Fe+++ for Fe++
Fe+++ = .006705 molal
3.) I get the follow file
Aqueous species molality mg/kg sol'n act. coef. log act.
---------------------------------------------------------------------------
Na+ 0.01895 434.0 0.8150 -1.8113
SO4-- 0.01297 1241. 0.4358 -2.2476
FeSO4+ 0.005016 759.1 0.8150 -2.3885
H+ 0.003077 3.090 0.8547 -2.5800
Ca++ 0.002729 109.0 0.4761 -2.8863
CaSO4 0.001454 197.2 1.0000 -2.8373
HSO4- 0.001343 129.9 0.8150 -2.9607
Cl- 0.001186 41.88 0.8043 -3.0205
K+ 0.001174 45.72 0.8043 -3.0250
AlSO4+ 0.001139 139.7 0.8150 -3.0322
SiO2(aq) 0.001128 67.53 1.0150 -2.9411
Al+++ 0.0007560 20.32 0.2358 -3.7490
Mg++ 0.0005145 12.46 0.5113 -3.5799
NaSO4- 0.0005014 59.47 0.8150 -3.3887
Fe(SO4)2- 0.0004790 118.3 0.8150 -3.4085
Al(SO4)2- 0.0004718 103.0 0.8150 -3.4151
Fe++ 0.0004249 23.64 0.4761 -3.6941
Fe+++ 0.0003308 18.40 0.2358 -4.1079
MgSO4 0.0002371 28.43 1.0000 -3.6251
FeOH++ 0.0002250 16.33 0.4566 -3.9882
FeSO4 0.0001810 27.38 1.0000 -3.7424
Zn++ 0.0001790 11.66 0.4761 -4.0695
Mn++ 0.0001246 6.818 0.4761 -4.2269
UO2SO4 0.0001245 45.41 1.0000 -3.9048
UO2++ 0.0001129 30.38 0.4566 -4.2877
ZnSO4 9.143e-005 14.70 1.0000 -4.0389
MnSO4 5.428e-005 8.165 1.0000 -4.2654
UO2(SO4)2-- 4.926e-005 22.68 0.4358 -4.6682
KSO4- 4.518e-005 6.083 0.8150 -4.4339
FeH3SiO4++ 1.568e-005 2.357 0.4566 -5.1452
Fe(OH)2+ 1.067e-005 0.9554 0.8150 -5.0606
CaCl+ 9.476e-006 0.7131 0.8150 -5.1122
FeHSO4++ 9.219e-006 1.404 0.4566 -5.3757
Fe2(OH)2++++ 4.622e-006 0.6709 0.0948 -6.3584
FeCl++ 3.122e-006 0.2840 0.4566 -5.8459
AlOH++ 8.826e-007 0.03868 0.4566 -6.3946
MgCl+ 5.087e-007 0.03029 0.8150 -6.3824
FeCl+ 3.719e-007 0.03382 0.8150 -6.5185
NaCl 2.953e-007 0.01719 1.0000 -6.5297
ZnCl+ 1.799e-007 0.01807 0.8150 -6.8338
UO2SiO(OH)3+ 1.120e-007 0.04072 0.8150 -7.0398
UO2OH+ 1.053e-007 0.03012 0.8150 -7.0663
Fe3(OH)4(5+) 1.002e-007 0.02353 0.0251 -8.5987
UO2Cl+ 9.715e-008 0.02957 0.8150 -7.1014
MnCl+ 4.401e-008 0.003963 0.8150 -7.4453
KCl 2.005e-008 0.001489 1.0000 -7.6978
FeCl2+ 7.479e-009 0.0009444 0.8150 -8.2150
H2SO4 1.796e-009 0.0001755 1.0000 -8.7456
(UO2)2(OH)2++ 9.388e-010 0.0005369 0.4566 -9.3678
Fe(OH)3 8.774e-010 9.342e-005 1.0000 -9.0568
Al(OH)2+ 7.347e-010 4.465e-005 0.8150 -9.2227
Al2(OH)2++++ 3.233e-010 2.834e-005 0.0948 -10.5136
ZnCl2 2.062e-010 2.799e-005 1.0000 -9.6858
FeCl2 1.537e-010 1.940e-005 1.0000 -9.8134
MnCl2 9.660e-011 1.211e-005 1.0000 -10.0150
H3SiO4- 6.032e-011 5.716e-006 0.8150 -10.3084
NaH3SiO4 1.103e-011 1.298e-006 1.0000 -10.9573
FeOH+ 3.517e-012 2.553e-007 0.8150 -11.5426
OH- 2.133e-012 3.614e-008 0.8098 -11.7626
CaH3SiO4+ 2.015e-012 2.714e-007 0.8150 -11.7845
MgH3SiO4+ 7.183e-013 8.545e-008 0.8150 -12.2326
HCl 5.832e-013 2.118e-008 1.0000 -12.2342
FeCl3 4.985e-013 8.055e-008 1.0000 -12.3024
MnOH+ 3.273e-013 2.346e-008 0.8150 -12.5740
ZnCl3- 1.846e-013 3.159e-008 0.8150 -12.8225
Al(OH)3 1.221e-013 9.491e-009 1.0000 -12.9132
MgOH+ 7.842e-014 3.227e-009 0.8150 -13.1945
CaOH+ 5.052e-014 2.873e-009 0.8150 -13.3854
MnCl3- 3.056e-014 4.911e-009 0.8150 -13.6037
NaOH 1.671e-014 6.660e-010 1.0000 -13.7769
(UO2)3(OH)4++ 8.278e-015 7.242e-009 0.4566 -14.4225
UO2+ 6.571e-015 1.768e-009 0.8150 -14.2712
Al3(OH)4(5+) 1.987e-015 2.949e-010 0.0251 -16.3015
KOH 4.915e-016 2.747e-011 1.0000 -15.3085
Mn2OH+++ 1.694e-016 2.141e-011 0.2200 -16.4288
ZnCl4-- 1.400e-016 2.891e-011 0.4358 -16.2144
Fe(OH)4- 6.684e-017 8.249e-012 0.8150 -16.2638
(UO2)3(OH)5+ 4.285e-017 3.821e-011 0.8150 -16.4569
Al(OH)4- 2.228e-017 2.109e-012 0.8150 -16.7410
FeCl4- 5.723e-018 1.127e-012 0.8150 -17.3312
Mg2OH+++ 2.159e-018 1.411e-013 0.2200 -18.3233
MgH2SiO4 4.587e-019 5.411e-014 1.0000 -18.3385
CaH2SiO4 1.911e-019 2.555e-014 1.0000 -18.7186
Mg(H3SiO4)2 1.445e-019 3.087e-014 1.0000 -18.8402
Ca(H3SiO4)2 8.437e-020 1.936e-014 1.0000 -19.0738
H6(H2SiO4)4-- 2.099e-020 7.996e-015 0.4358 -20.0388
Fe(OH)2 2.041e-021 1.827e-016 1.0000 -20.6901
H2SiO4-- 1.702e-021 1.595e-016 0.4358 -21.1298
(UO2)4(OH)7+ 1.257e-021 1.502e-015 0.8150 -20.9895
Mn(OH)2 5.456e-022 4.835e-017 1.0000 -21.2631
(UO2)3(OH)7- 5.513e-025 5.103e-019 0.8150 -24.3475
Mn2(OH)3+ 3.018e-025 4.838e-020 0.8150 -24.6091
U(SO4)2 7.712e-026 3.305e-020 1.0000 -25.1128
USO4++ 1.917e-027 6.381e-022 0.4566 -27.0577
U(OH)2++ 3.826e-028 1.037e-022 0.4566 -27.7577
O2(aq) 1.999e-028 6.374e-024 1.0150 -27.6926
U(OH)3+ 1.421e-028 4.093e-023 0.8150 -27.9362
UOH+++ 1.205e-028 3.062e-023 0.2200 -28.5766
U(OH)4 8.853e-030 2.699e-024 1.0000 -29.0529
U++++ 6.580e-030 1.560e-024 0.0948 -30.2050
Mn(OH)3- 2.442e-031 2.578e-026 0.8150 -30.7011
Fe(OH)3- 6.669e-032 7.100e-027 0.8150 -31.2648
UCl+++ 3.295e-032 8.976e-027 0.2200 -32.1398
H2(aq) 1.122e-034 2.254e-031 1.0150 -33.9435
U(OH)5- 2.665e-035 8.578e-030 0.8150 -34.6631
H4(H2SiO4)4---- 1.870e-036 7.086e-031 0.0357 -37.1762
Mn(OH)4-- 1.451e-042 1.778e-037 0.4358 -42.1989
UCl4 5.515e-043 2.087e-037 1.0000 -42.2584
Mg4(OH)4++++ 1.876e-045 3.088e-040 0.0948 -45.7500
U+++ 1.306e-052 3.097e-047 0.2200 -52.5417
MnO4- 8.214e-053 9.733e-048 0.8150 -52.1743
MnO4-- 2.494e-055 2.956e-050 0.4358 -54.9637
Al13O4(OH)24(7+) 4.583e-073 3.757e-067 0.0007 -75.4761
ClO4- 3.614e-075 3.580e-070 0.8098 -74.5337
H2S(aq) 3.830e-089 1.300e-084 1.0000 -88.4169
HS- 1.058e-093 3.487e-089 0.8098 -93.0670
S-- 4.388e-105 1.401e-100 0.4566 -104.6982
U6(OH)15(9+) 4.277e-155 7.172e-149 0.0000 -159.5560
S2-- 7.324e-167 4.679e-162 0.4358 -166.4959
S3-- 3.605e-229 3.454e-224 0.4358 -228.8038
S4-- 5.905e-289 7.545e-284 0.4358 -288.5894
S6-- 0.0000 0.0000 0.4358 -300.0000
S5-- 0.0000 0.0000 0.4358 -300.0000
4.)
now I'll make a mosaicdiagram with act2 because I want to know what will happend with the Uranium and with the iron if I change the pH and the eH. So if I gif act2 the Na as the free Na+, the SO4-- as free SO4--, the Fe as FeSO4+ and so on. But the problem is, on other eh or pH conditions the hole setup will be change. what is with the Fe in Fe(SO4)2- and so on?
maby it is the total wrong way what I go and shud make a modell where I can say activety = concentration.
thanks for Yor help
Emanuel