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emanuel

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  1. 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
  2. I found a way. - at first I put the date from the analyse in to the gss - then I calculated the activetys for eath speties directly in gss - I maked two setups for act2 - the first I only use the activetys from the free species - in the second I make a summation from all activetys that contained the interesting ellements (for example I found Al+++ and Al(OH)4- so I used the activetiy from free Al+++ plus the activety from Al(OH)4- for the activety of Al+++ in act2 My question is, what is the correct way? Thanks for answers and sorry for my bat english
  3. Hi and thanks at first. I'm new in gwb and I want to plot a eh-ph diagram from a sample. From the labor I have a table with ultimate analysis by ug/l. So I'd run specE8 for get the log activethy and put this manualy in act2. But the problem is that same elements are in more then in 1 species. how can I bether make a eh-ph diagram from ultimate analysis values
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