File SKIP_SPECIES.TXT lists species and minerals omitted from the
calculations due to given T, P, option switches, or suppression
in CHIMRUN, or are suppressed in the SOLTHERM database.
It also lists minerals for which density is not specified
in SOLTHERM.
This is an extended P(to 5 kB), T(to 600 C) run (CON_FLAG = 1).
methanol,aq is suppressed in SOLTHERM data file.
methanol,aq is suppressed in SOLTHERM data file.
CuCl4-3 is suppressed in SOLTHERM data file.
H2BO3- is suppressed in SOLTHERM data file.
UO2CO3,aq is suppressed in SOLTHERM data file.
UO2SO4,aq is suppressed in SOLTHERM data file.
UO2Cl2,aq is suppressed in SOLTHERM data file.
UO2F2,aq is suppressed in SOLTHERM data file.
PO4-3 is suppressed in SOLTHERM data file.
H2PO4- is suppressed in SOLTHERM data file.
H3PO4 is suppressed in SOLTHERM data file.
fCO2,1bar20C is suppressed in THIS RUN.
amesite is suppressed in SOLTHERM data file.
antigorite is suppressed in SOLTHERM data file.
sapphirine-Fe(221) is suppressed in SOLTHERM data file.
sapphirine(221) is suppressed in SOLTHERM data file.
talc-prl is suppressed in SOLTHERM data file.
PrO1.833(s) is suppressed in SOLTHERM data file.
niter-NH4 is suppressed in SOLTHERM data file.
FMQ_HS-1 is suppressed in THIS RUN.
kf-ab-equil is suppressed in THIS RUN.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Species No. Charge Tot.moles Trial molality Gamma Mixing solution
H+ 1 1. 0.32344E+00 0.21899E-04 0.6712 0.00000000E+00
H2O 2 0. 0.16078E+03 0.10000E+01 0.9824 0.55508250E+02
Cl- 3 -1. 0.15454E+01 0.50516E+00 0.6497 0.00000000E+00
SO4-- 4 -2. 0.18864E-03 0.62518E-04 0.1698 0.00000000E+00
HCO3- 5 -1. 0.34993E+00 0.91923E-02 0.6511 0.00000000E+00
HS- 6 -1. 0.14030E-04 0.75490E-07 0.6498 0.00000000E+00
H4SiO4 7 0. 0.28117E-02 0.88558E-03 1.0000 0.00000000E+00
Al+++ 8 3. 0.24073E-05 0.28771E-10 0.0179 0.00000000E+00
Ca++ 9 2. 0.21052E-02 0.64316E-03 0.1629 0.00000000E+00
Mg++ 10 2. 0.17177E-03 0.52745E-04 0.1609 0.00000000E+00
Fe++ 11 2. 0.16033E-05 0.49231E-06 0.1613 0.00000000E+00
K+ 12 1. 0.45456E-01 0.15622E-01 0.6490 0.00000000E+00
Na+ 13 1. 0.15238E+01 0.49781E+00 0.6459 0.00000000E+00
Mn++ 14 2. 0.34477E-04 0.91048E-05 0.1616 0.00000000E+00
Zn++ 15 2. 0.74682E-05 0.93371E-07 0.1613 0.00000000E+00
Cu+ 16 1. 0.17016E-06 0.27041E-13 0.6459 0.00000000E+00
Pb++ 17 2. 0.15650E-05 0.91241E-09 0.1646 0.00000000E+00
Ag+ 18 1. 0.42713E-06 0.65566E-13 0.6482 0.00000000E+00
Au+ 19 1. 0.31110E-11 0.13694E-24 0.6495 0.00000000E+00
Ba++ 20 2. 0.40644E-05 0.12208E-05 0.1659 0.00000000E+00
F- 21 -1. 0.16304E-02 0.52081E-03 0.6552 0.00000000E+00
H2AsO3- 22 -1. 0.12964E-03 0.11751E-07 0.6971 0.00000000E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Chg. balance for the mixing solution = 0.0000E+00 Max. difference allowed = 0.1545E-03
The following parameters were given:
ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 500.0000
SLIM = 0.400000E+01 TEMP = 87.3161 SINC = 0.1000E+00
TEMPC = 25.0000 TOTMIX = 0.190000E+01 ENTH = 0.0000
SENTH = 0.0000 DENTH = 0.0000 TOTWAT = 90.0000
SOLMIN = 0.0000E+00 RM = 0.0000 AQGRM = 1082.4053
SUPRNT = 0.1000E-10 VBOX-1 = 0.0000 RHOFRS = 0.0000
RHOROC = 0.0000
The following options were selected:
CONFLG = 1 C = 3 IFRAC = 0 IPUNCH = 2
NLOOP = 70 ISTEP = 2 LIMSOL = 2 LOOC = 0
IENTH = 0 ITREF = 0 IDEAL = 0 IPSAT = 1
INCREM = 0 INCP = 0 MINSOL = 0 NEUT = 0
AWAT = 0 CHGF = 0
Of the derived species, only those with molality > 0.10E-10 will appear in the output
Species No. Charge Log K(diss) Species No. Charge Log K(diss)
SiF6-2 23 -2. -24.1005 FeCl2,aq 102 0. 5.0166
HSiO3- 24 -1. 8.9272 FeCl+2 103 2. 6.6195
Ca(HSiO3)+ 25 1. 7.6999 FeF+ 104 1. -1.5872
Mg(HSiO3)+ 26 1. 7.5824 FeF+2 105 2. 1.6087
NaHSiO3,aq 27 0. 7.7089 FeO,aq 106 0. 16.8891
Ag(CO3)- 28 -1. 7.7145 FeOH+ 107 1. 7.6648
Ag(CO3)2-3 29 -3. 18.1471 HFeO2- 108 -1. 24.8658
Ag+2 30 2. 25.3342 FeO+ 109 1. 11.6195
AgCl,aq 31 0. -2.8644 FeOH+2 110 2. 9.3027
AgCl2- 32 -1. -4.5132 FeO2- 111 -1. 24.9028
AgCl3-2 33 -2. -3.7707 HFeO2,aq 112 0. 16.6368
AgCl4-3 34 -3. -1.7883 H2,aq 113 0. 9.7705
AgF,aq 35 0. -0.4430 KCl,aq 114 0. 1.9486
Ag(OH),aq 36 0. 10.9407 KHSO4,aq 115 0. 0.0848
AgO- 37 -1. 20.6415 KOH,aq 116 0. 12.5506
Ag(HS),aq 38 0. -11.8949 KSO4- 117 -1. -1.1041
Ag(HS)2- 39 -1. -14.4496 MgCO3,aq 118 0. 6.5279
AlO+ 40 1. 7.5389 Mg(HCO3)+ 119 1. -1.2811
AlOH+2 41 2. 3.6103 MgCl+ 120 1. -0.0459
HAlO2,aq 42 0. 11.4046 MgF+ 121 1. -1.5924
AlO2- 43 -1. 17.1843 MgOH+ 122 1. 9.7662
AsO2- 44 -1. 0.1391 Mn+3 123 3. 19.3347
HAsO2,aq 45 0. -8.1942 MnF+ 124 1. -1.0895
H3AsO3,aq 46 0. -8.3255 MnO,aq 125 0. 18.4737
H3AsO4,aq 47 0. 0.8810 MnOH+ 126 1. 8.7275
H2AsO4- 48 -1. 3.3403 MnO2-2 127 -2. 41.2536
HAsO4-2 49 -2. 9.9749 HMnO2- 128 -1. 29.6901
AsO4-3 50 -3. 21.0028 MnO4- 129 -1. 86.7957
HAs3S6-2 51 -2. -79.3898 MnO4-2 130 -2. 84.0750
H2As3S6- 52 -1. -86.4322 MnCl+ 131 1. -0.5697
H3As3S6,aq 53 0. -89.4396 MnSO4,aq 132 0. -2.3101
Au+3 54 3. 34.2282 NaCl,aq 133 0. 0.5891
AuCl,aq 55 0. -6.6353 NaF,aq 134 0. 0.7577
AuCl2- 56 -1. -7.8821 NaOH,aq 135 0. 12.5072
AuCl3-2 57 -2. -7.3741 O2,aq 136 0. 56.0009
AuCl4- 58 -1. 26.4952 OH- 137 -1. 12.3064
AuOH,aq 59 0. -5.3210 HO2- 138 -1. 52.3582
AuHS,aq 60 0. -19.9837 H2O2,aq 139 0. 41.6926
Au(HS)2- 61 -1. -24.4846 PbCl+ 140 1. -1.6687
BaCO3,aq 62 0. 6.5758 PbCl2,aq 141 0. -2.3529
Ba(HCO3)+ 63 1. -1.5943 PbCl3- 142 -1. -1.9945
BaCl+ 64 1. -0.0164 PbCl4-2 143 -2. -1.4434
BaF+ 65 1. -0.2073 PbF+ 144 1. -2.0728
CH4,aq 66 0. 5.9727 PbF2,aq 145 0. -3.2198
C2H6,aq 67 0. 12.2293 PbO,aq 146 0. 14.1379
C3H8,aq 68 0. 17.1067 HPbO2- 147 -1. 24.1056
C4H10,aq 69 0. 22.0233 Pb(HS)2,aq 148 0. -12.9517
ethanol,aq 70 0. 15.3952 Pb(HS)3- 149 -1. -14.0111
CO,aq 71 0. 5.2583 H2S,aq 150 0. -6.4094
CO2,aq 72 0. -6.0591 S2-2 151 -2. 1.2430
CO3-2 73 -2. 9.8391 S3-2 152 -2. -8.9087
CaCO3,aq 74 0. 5.9506 S3- 153 -1. -16.2366
Ca(HCO3)+ 75 1. -1.2750 S4-2 154 -2. -18.8744
CaCl+ 76 1. -0.0576 S5-2 155 -2. -28.6591
CaCl2,aq 77 0. 0.6254 SO2,aq 156 0. 0.5719
CaF+ 78 1. -1.0121 SO3-2 157 -2. 10.3927
CaOH+ 79 1. 10.5544 HSO3- 158 -1. 2.9792
CaSO4,aq 80 0. -2.3617 HSO4- 159 -1. -2.6692
HCl,aq 81 0. 0.6615 HSO5- 160 -1. 40.9605
HClO,aq 82 0. 33.9057 S2O3-2 161 -2. -4.4772
ClO- 83 -1. 40.9568 HS2O3- 162 -1. -6.6096
HClO2,aq 84 0. 73.2387 H2S2O3,aq 163 0. -7.6144
Cu+2 85 2. -0.4090 S2O4-2 164 -2. 11.2510
CuCl+ 86 1. -1.0028 HS2O4- 165 -1. 8.5366
CuCl2,aq 87 0. 0.0324 H2S2O4,aq 166 0. 7.7030
CuCl3- 88 -1. 1.9038 S2O5-2 167 -2. 10.8554
CuCl4-2 89 -2. 4.9007 S2O6-2 168 -2. 12.5129
CuCl,aq 90 0. -3.7854 S2O8-2 169 -2. 44.6761
CuCl2- 91 -1. -5.0005 S3O6-2 170 -2. 4.6109
CuCl3-2 92 -2. -3.8305 S4O6-2 171 -2. -17.3593
CuF+ 93 1. -2.0949 S5O6-2 172 -2. -13.6523
CuO,aq 94 0. 12.0561 ZnCl+ 173 1. -1.6390
CuOH+ 95 1. 6.0868 ZnCl2,aq 174 0. -1.3958
CuO2-2 96 -2. 35.1700 ZnCl3- 175 -1. -0.6224
HCuO2- 97 -1. 22.8515 ZnF+ 176 1. -1.3678
HF,aq 98 0. -3.6045 ZnO,aq 177 0. 14.5205
HF2- 99 -1. -3.0546 ZnOH+ 178 1. 5.5859
Fe+3 100 3. 8.3974 ZnO2-2 179 -2. 35.1602
FeCl+ 101 1. -0.0654 HZnO2- 180 -1. 23.6852
For mixed gases (JSOLS=6), log K(hydrol) = log (K*P)
Log K Trial Log K Trial
Mineral No. hydrol Moles Mineral No. hydrol Moles
H2O,gas 1 2.778 0.0000E+00 px-Mg-tschermaks 141 22.000 0.0000E+00
CO2,gas 2 -5.610 0.0000E+00 px-Ca-tschermaks 142 20.817 0.0000E+00
CH4,gas 3 5.214 0.0000E+00 pyrite 143 -21.482 0.0000E+00
H2,gas 4 9.153 0.0000E+00 pyrrhotite 144 -4.023 0.0000E+00
H2S,gas 5 -5.336 0.0000E+00 pyrrhotiteFe0.875 145 -5.864 0.0000E+00
S2,gas 6 -6.016 0.0000E+00 pyroxmangite 146 7.881 0.0000E+00
CO,gas 7 4.537 0.0000E+00 pyrophyllite 147 -4.955 0.0000E+00
SO3,gas 8 19.379 0.0000E+00 quartz 148 -3.037 0.2388E-03
O2,gas 9 52.655 0.0000E+00 rankinite 149 42.719 0.0000E+00
SO2,gas 10 2.457 0.0000E+00 riebeckite 150 22.632 0.0000E+00
HF,gas 11 1.838 0.0000E+00 ringwoodite-Fe 151 16.540 0.0000E+00
HCl,gas 12 6.492 0.0000E+00 ringwoodite-Mg 152 29.066 0.0000E+00
acmite 13 8.236 0.0000E+00 rhodochrosite 153 -0.695 0.0000E+00
akermanite 14 38.448 0.0000E+00 rhodonite 154 7.933 0.0000E+00
akimotoite 15 17.421 0.0000E+00 sanidine 155 -0.559 0.0000E+00
akimotoite-Fe 16 13.794 0.0000E+00 sapphirine(351) 156 89.428 0.0000E+00
albite-high 17 1.576 0.0000E+00 siderite 157 -2.294 0.0000E+00
albite 18 0.427 0.0000E+00 sillimanite 158 6.872 0.0000E+00
almandine 19 27.539 0.0000E+00 sodalite 159 56.296 0.0000E+00
pyrope 20 40.787 0.0000E+00 spinel 160 23.239 0.0000E+00
spessartine 21 27.233 0.0000E+00 spurrite 161 62.586 0.0000E+00
analcite 22 4.194 0.0000E+00 staurolite-Fe 162 89.371 0.0000E+00
andalusite 23 6.609 0.0000E+00 staurolite-Mg 163 106.106 0.0000E+00
andradite 24 41.440 0.0000E+00 staurolite-Mn 164 99.692 0.0000E+00
grossular 25 35.651 0.0000E+00 stilbite 165 -6.263 0.0000E+00
anhydrite 26 -4.793 0.0000E+00 stilpnomelane-Fe 166 15.994 0.0000E+00
ankerite 27 -1.471 0.0000E+00 stilpnomelane-Mg 167 30.962 0.0000E+00
annite 28 22.271 0.0000E+00 stishovite 168 2.784 0.0000E+00
phlogopite 29 29.393 0.0000E+00 sudoite-Fe 169 21.955 0.0000E+00
biotite-Mn 30 35.245 0.0000E+00 sudoite 170 24.808 0.0000E+00
anorthite 31 14.907 0.0000E+00 sulfur 171 -9.204 0.0000E+00
anthophyllite 32 55.741 0.0000E+00 sylvite 172 1.367 0.0000E+00
anthophyllite-Fe 33 32.511 0.0000E+00 talc 173 17.914 0.0000E+00
aragonite 34 1.307 0.0000E+00 talc-Fe 174 14.832 0.0000E+00
brucite 35 13.161 0.0000E+00 talc-tschermaks 175 21.718 0.0000E+00
calcite 36 1.170 0.0000E+00 tenorite 176 5.393 0.0000E+00
carnegieite-low 37 10.045 0.0000E+00 tephroite 177 19.119 0.0000E+00
carnegieite-high 38 11.186 0.0000E+00 tilleyite 178 44.059 0.0000E+00
carpholite-Mg 39 10.351 0.0000E+00 titanite-CaSi 179 16.150 0.0000E+00
carpholite-Fe 40 8.432 0.0000E+00 topaz-H 180 5.977 0.0000E+00
celadonite 41 6.340 0.0000E+00 tridymite 181 -2.620 0.0000E+00
celadonite-Fe 42 4.857 0.0000E+00 tremolite 182 51.355 0.0000E+00
chrysotile 43 25.387 0.0000E+00 ferroactinolite 183 41.737 0.0000E+00
chondrodite 44 59.739 0.0000E+00 troilite-low 184 -4.189 0.0000E+00
clinochlore 45 42.838 0.0000E+00 tschermakite 185 53.886 0.0000E+00
daphnite 46 32.453 0.0000E+00 vesuvianite 186 241.786 0.0000E+00
chlorite-Mn 47 50.519 0.0000E+00 wadeite-Si 187 20.660 0.0000E+00
chlorite-Al-free 48 50.133 0.0000E+00 wadsleyite-Fe 188 16.791 0.0000E+00
chloritoid-Mg 49 15.173 0.0000E+00 wadsleyite-Mg 189 27.296 0.0000E+00
chloritoid-Fe 50 11.005 0.0000E+00 wairakite 190 5.900 0.0000E+00
chloritoid-Mn 51 13.216 0.0000E+00 walstromite 191 12.111 0.0000E+00
clinohumite 52 102.925 0.0000E+00 wollastonite 192 11.039 0.0000E+00
coesite 53 -2.418 0.0000E+00 pseudo-wollastonite 193 11.606 0.0000E+00
cordierite-H 54 28.317 0.0000E+00 zoisite 194 26.021 0.0000E+00
cordierite 55 28.777 0.0000E+00 Ag2O 195 11.411 0.0000E+00
cordierite-Fe 56 25.091 0.0000E+00 akaganeite 196 8.301 0.0000E+00
cordierite-Mn 57 29.693 0.0000E+00 argentite 197 -29.220 0.2108E-06
corundum 58 10.030 0.0000E+00 arsenic 198 -7.530 0.0000E+00
corundum-MgSi 59 19.801 0.0000E+00 arsenolite 199 -16.889 0.0000E+00
cristobalite 60 -2.549 0.0000E+00 arsenopyrite 200 -15.227 0.0000E+00
cummingtonite 61 55.985 0.0000E+00 beidellite-Ca 201 -0.015 0.0000E+00
cuprite 62 -0.768 0.0000E+00 beidellite-H 202 -0.746 0.0000E+00
cymrite-K 63 2.407 0.0000E+00 beidellite-K 203 0.039 0.0000E+00
deerite 64 104.133 0.0000E+00 beidellite-Mg 204 -0.182 0.0000E+00
diaspore 65 3.568 0.0000E+00 beidellite-Na 205 0.237 0.0000E+00
diamond 66 -3.328 0.0000E+00 bornite 206 -90.937 0.3383E-07
diopside 67 17.210 0.0000E+00 calcium 207 87.134 0.0000E+00
hedenbergite 68 15.193 0.0000E+00 chalcedony 208 -2.843 0.0000E+00
dolomite,ordered 69 1.280 0.0000E+00 chalcocite 209 -28.742 0.0000E+00
eastonite 70 31.961 0.0000E+00 claudetite 210 -17.025 0.0000E+00
enstatite 71 18.460 0.0000E+00 covellite 211 -20.450 0.0000E+00
clinoenstatite-HiP 72 19.575 0.0000E+00 dawsonite 212 2.323 0.0000E+00
clinoenstatite 73 18.358 0.0000E+00 loellingite 213 -2.988 0.0000E+00
protoenstatite 74 19.060 0.0000E+00 montmorillonite-Ca 214 -1.017 0.0000E+00
epidote 75 27.529 0.0000E+00 montmorillonite-K 215 -1.032 0.0000E+00
clinozoisite 76 25.984 0.0000E+00 montmorillonite-Mg 216 -1.190 0.0000E+00
epidote-Fe 77 32.492 0.0000E+00 montmorillonite-Na 217 -0.798 0.0000E+00
fayalite 78 15.130 0.0000E+00 nontronite-Ca 218 4.223 0.0000E+00
ferrosilite 79 12.163 0.0000E+00 nontronite-H 219 3.490 0.0000E+00
forsterite 80 22.317 0.0000E+00 nontronite-K 220 4.277 0.0000E+00
gedrite 81 56.511 0.0000E+00 nontronite-Mg 221 4.093 0.0000E+00
gehlenite 82 39.721 0.0000E+00 nontronite-Na 222 4.476 0.0000E+00
gibbsite 83 4.739 0.0000E+00 orpiment 223 -55.115 0.0000E+00
glaucophane 84 25.832 0.0000E+00 realgar 224 -70.294 0.0000E+00
glaucophane-Fe 85 20.005 0.0000E+00 sepiolite 225 25.666 0.0000E+00
goethite 86 6.868 0.0000E+00 topaz 226 -15.231 0.1202E-05
graphite 87 -3.768 0.0000E+00 alite 227 60.550 0.0000E+00
greenalite 88 17.468 0.0000E+00 belite 228 31.839 0.0000E+00
grunerite 89 34.503 0.0000E+00 ettringite 229 46.256 0.0000E+00
halite 90 1.652 0.0000E+00 gypsum 230 -4.588 0.0000E+00
hematite 91 13.592 0.0000E+00 hemicarboaluminate 231 74.471 0.0000E+00
heulandite 92 -4.193 0.0000E+00 hydrogarnet 232 63.963 0.0000E+00
hercynite 93 19.542 0.0000E+00 hydrogarnet-Si 233 53.677 0.0000E+00
hollandite 94 27.002 0.0000E+00 jennite 234 25.221 0.0000E+00
iron 95 19.891 0.0000E+00 monosulfoaluminate 235 56.927 0.0000E+00
jadeite 96 4.958 0.0000E+00 monocarboaluminate 236 65.081 0.0000E+00
julgoldite 97 74.893 0.0000E+00 portlandite 237 18.987 0.0000E+00
kalsilite 98 8.488 0.0000E+00 stratlingite 238 38.991 0.0000E+00
kaolinite 99 -0.130 0.0000E+00 tricarboaluminate 239 73.014 0.0000E+00
kyanite 100 6.414 0.0000E+00 tobermorite 240 10.155 0.0000E+00
larnite-bredigite 101 32.096 0.0000E+00 C4AH13 241 85.382 0.0000E+00
laumontite 102 4.520 0.0000E+00 C2AH8 242 47.761 0.0000E+00
lawsonite 103 11.234 0.0000E+00 C3A 243 91.949 0.0000E+00
leucite 104 5.028 0.0000E+00 C4AF 244 124.172 0.0000E+00
lime 105 27.054 0.0000E+00 CAH10 245 30.019 0.0000E+00
lizardite 106 24.688 0.0000E+00 acanthite 246 -29.146 0.0000E+00
magnesite 107 1.107 0.0000E+00 alabandite 247 -0.684 0.0000E+00
magnetite 108 21.667 0.0000E+00 alunite 248 -7.306 0.0000E+00
minnesotaite 109 11.711 0.0000E+00 anglesite 249 -7.479 0.0000E+00
minnesotaite-Mg 110 22.219 0.0000E+00 artinite 250 15.899 0.0000E+00
magnesioferrite 111 28.007 0.0000E+00 azurite 251 4.657 0.0000E+00
majorite 112 56.205 0.0000E+00 barite 252 -9.173 0.0000E+00
manganosite 113 14.727 0.0000E+00 boehmite 253 5.194 0.0000E+00
margarite 114 20.818 0.0000E+00 cerussite 254 -2.705 0.0000E+00
meionite 115 52.140 0.0000E+00 chalcopyrite 255 -29.027 0.0000E+00
merwinite 116 58.697 0.0000E+00 chlorargyrite 256 -7.805 0.0000E+00
microcline 117 -1.811 0.0000E+00 copper,native 257 -3.216 0.0000E+00
monticellite 118 25.664 0.0000E+00 dolomite,disordered 258 2.026 0.0000E+00
mullite-Al 119 378.930 0.0000E+00 ferrous-oxide 259 10.436 0.0000E+00
mullite-Si 120 8.956 0.0000E+00 fluorite 260 -9.585 0.0000E+00
muscovite 121 4.619 0.0000E+00 galena 261 -12.300 0.1538E-05
paragonite 122 6.378 0.0000E+00 gold,native 262 -19.315 0.1885E-11
nepheline 123 9.331 0.0000E+00 silver,native 263 -6.981 0.1348E-11
osumilite(1) 124 27.284 0.0000E+00 huntite 264 5.442 0.0000E+00
osumilite(2) 125 25.081 0.0000E+00 litharge 265 10.747 0.0000E+00
osumilite-Fe 126 19.692 0.0000E+00 hydromagnesite 266 22.249 0.0000E+00
pargasite 127 70.904 0.0000E+00 malachite 267 3.080 0.0000E+00
periclase 128 16.961 0.0000E+00 nesquehonite 268 4.859 0.0000E+00
periclase-Fe 129 12.310 0.0000E+00 potassium-oxide 269 71.128 0.0000E+00
perovskite-Al 130 14.132 0.0000E+00 silica-amorphous 270 -2.050 0.0000E+00
perovskite-Ca 131 24.754 0.0000E+00 smithsonite 271 -0.376 0.0000E+00
perovskite-Fe 132 22.138 0.0000E+00 sodium-oxide 272 56.889 0.0000E+00
perovskite-Mg 133 24.169 0.0000E+00 sphalerite 273 -10.299 0.6096E-05
phase_A 134 84.480 0.0000E+00 wurtzite 274 -8.399 0.0000E+00
phlogopite-Na 135 32.145 0.0000E+00 zincite 275 8.680 0.0000E+00
piemontite(ordered) 136 36.878 0.0000E+00 an20ab80 276 3.106 0.0000E+00
prehnite 137 21.766 0.0000E+00 an25ab75 277 3.803 0.0000E+00
prehnite-Fe 138 24.668 0.0000E+00 an30ab70 278 4.506 0.0000E+00
pumpellyite-Fe 139 51.801 0.0000E+00 tr.625ac.25prg.125 279 48.891 0.0000E+00
pumpellyite-Mg 140 54.609 0.0000E+00 280 0.000 0.0000E+00
Mixing solution: Stoch.ionic strengh 0.5000E-10
Temperature 25.00
HEAT 0.64600
The following minerals and/or gases with identical index are in solid solution:
H2O,gas 6
CO2,gas 6
CH4,gas 6
H2,gas 6
H2S,gas 6
S2,gas 6
CO,gas 6
SO3,gas 6
SO2,gas 6
HF,gas 6
HCl,gas 6
almandine 16
pyrope 16
spessartine 16
andradite 8
grossular 8
annite 15
phlogopite 15
biotite-Mn 15
clinochlore 1
daphnite 1
chlorite-Mn 1
diopside 5
hedenbergite 5
epidote 3
clinozoisite 3
iron 9
magnetite 14
talc 7
talc-Fe 7
tremolite 2
ferroactinolite 2
gold,native 10
silver,native 10
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 8 Loop limit = 70
Temperature = 87.32 C Pressure = 500.00 bar Mixer fraction = 1.9000000
Water: Moles liquid = 0.1611E+03 kg liquid = 0.2902E+01
Moles total = 0.1608E+03 kg total = 0.2897E+01 Activity = 0.9824
Stoichiometric ionic strength = .6000830E+00 Osmotic coef. = 0.9278
True ionic strength = .5157457E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.21899E-04 -4.6596 0.14699E-04 -4.8327 0.67124E+00 -0.1731
2 H2O 0.98235E+00 -0.0077 0.98235E+00 -0.0077
3 Cl- 0.50516E+00 -0.2966 0.32821E+00 -0.4838 0.64972E+00 -0.1873
4 SO4-- 0.62518E-04 -4.2040 0.10613E-04 -4.9742 0.16976E+00 -0.7702
5 HCO3- 0.91923E-02 -2.0366 0.59847E-02 -2.2230 0.65106E+00 -0.1864
6 HS- 0.75490E-07 -7.1221 0.49050E-07 -7.3094 0.64975E+00 -0.1873
7 H4SiO4 0.88558E-03 -3.0528 0.88558E-03 -3.0528 0.10000E+01 0.0000
8 Al+++ 0.28771E-10 -10.5410 0.51554E-12 -12.2877 0.17919E-01 -1.7467
9 Ca++ 0.64316E-03 -3.1917 0.10476E-03 -3.9798 0.16289E+00 -0.7881
10 Mg++ 0.52745E-04 -4.2778 0.84886E-05 -5.0712 0.16094E+00 -0.7933
11 Fe++ 0.49231E-06 -6.3078 0.79414E-07 -7.1001 0.16131E+00 -0.7923
12 K+ 0.15622E-01 -1.8063 0.10139E-01 -1.9940 0.64899E+00 -0.1878
13 Na+ 0.49781E+00 -0.3029 0.32155E+00 -0.4928 0.64593E+00 -0.1898
14 Mn++ 0.91048E-05 -5.0407 0.14716E-05 -5.8322 0.16163E+00 -0.7915
15 Zn++ 0.93371E-07 -7.0298 0.15061E-07 -7.8221 0.16131E+00 -0.7923
16 Cu+ 0.27041E-13 -13.5680 0.17466E-13 -13.7578 0.64589E+00 -0.1898
17 Pb++ 0.91241E-09 -9.0398 0.15018E-09 -9.8234 0.16460E+00 -0.7836
18 Ag+ 0.65566E-13 -13.1833 0.42500E-13 -13.3716 0.64821E+00 -0.1883
19 Au+ 0.13694E-24 -24.8635 0.88940E-25 -25.0509 0.64947E+00 -0.1874
20 Ba++ 0.12208E-05 -5.9133 0.20253E-06 -6.6935 0.16589E+00 -0.7802
21 F- 0.52081E-03 -3.2833 0.34122E-03 -3.4670 0.65517E+00 -0.1836
22 H2AsO3- 0.11751E-07 -7.9299 0.81921E-08 -8.0866 0.69712E+00 -0.1567
24 HSiO3- 0.11161E-06 -6.9523 0.72512E-07 -7.1396 0.64972E+00 -0.1873
25 Ca(HSiO3)+ 0.19744E-09 -9.7046 0.12823E-09 -9.8920 0.64947E+00 -0.1874
26 Mg(HSiO3)+ 0.20968E-10 -10.6784 0.13618E-10 -10.8659 0.64947E+00 -0.1874
27 NaHSiO3,aq 0.38548E-06 -6.4140 0.38548E-06 -6.4140 0.10000E+01 0.0000
31 AgCl,aq 0.10208E-10 -10.9910 0.10208E-10 -10.9910 0.10000E+01 0.0000
32 AgCl2- 0.22970E-09 -9.6388 0.14924E-09 -9.8261 0.64972E+00 -0.1873
33 AgCl3-2 0.52588E-10 -10.2791 0.88618E-11 -11.0525 0.16851E+00 -0.7734
38 Ag(HS),aq 0.16367E-08 -8.7860 0.16367E-08 -8.7860 0.10000E+01 0.0000
40 AlO+ 0.10435E-09 -9.9815 0.67770E-10 -10.1690 0.64947E+00 -0.1874
41 AlOH+2 0.52146E-10 -10.2828 0.84506E-11 -11.0731 0.16206E+00 -0.7903
42 HAlO2,aq 0.61701E-09 -9.2097 0.61701E-09 -9.2097 0.10000E+01 0.0000
43 AlO2- 0.10668E-09 -9.9719 0.69705E-10 -10.1567 0.65342E+00 -0.1848
44 AsO2- 0.93182E-08 -8.0307 0.60542E-08 -8.2179 0.64972E+00 -0.1873
45 HAsO2,aq 0.19169E-04 -4.7174 0.19169E-04 -4.7174 0.10000E+01 0.0000
46 H3AsO3,aq 0.25477E-04 -4.5939 0.25477E-04 -4.5939 0.10000E+01 0.0000
62 BaCO3,aq 0.21900E-10 -10.6596 0.21900E-10 -10.6596 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.73040E-07 -7.1364 0.47620E-07 -7.3222 0.65197E+00 -0.1858
64 BaCl+ 0.10627E-06 -6.9736 0.69021E-07 -7.1610 0.64947E+00 -0.1874
65 BaF+ 0.17149E-09 -9.7658 0.11138E-09 -9.9532 0.64947E+00 -0.1874
66 CH4,aq 0.31399E-10 -10.5031 0.28931E-10 -10.5386 0.92137E+00 -0.0356
72 CO2,aq 0.11135E+00 -0.9533 0.10260E+00 -0.9889 0.92137E+00 -0.0356
73 CO3-2 0.34998E-06 -6.4560 0.58976E-07 -7.2293 0.16851E+00 -0.7734
74 CaCO3,aq 0.47793E-07 -7.3206 0.47793E-07 -7.3206 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.18185E-04 -4.7403 0.11811E-04 -4.9277 0.64947E+00 -0.1874
76 CaCl+ 0.60447E-04 -4.2186 0.39258E-04 -4.4061 0.64947E+00 -0.1874
77 CaCl2,aq 0.26737E-05 -5.5729 0.26737E-05 -5.5729 0.10000E+01 0.0000
78 CaF+ 0.56592E-06 -6.2472 0.36754E-06 -6.4347 0.64947E+00 -0.1874
79 CaOH+ 0.30079E-09 -9.5217 0.19535E-09 -9.7092 0.64947E+00 -0.1874
80 CaSO4,aq 0.25569E-06 -6.5923 0.25569E-06 -6.5923 0.10000E+01 0.0000
81 HCl,aq 0.10519E-05 -5.9780 0.10519E-05 -5.9780 0.10000E+01 0.0000
90 CuCl,aq 0.34977E-10 -10.4562 0.34977E-10 -10.4562 0.10000E+01 0.0000
91 CuCl2- 0.28989E-09 -9.5378 0.18835E-09 -9.7250 0.64972E+00 -0.1873
92 CuCl3-2 0.24806E-10 -10.6054 0.41801E-11 -11.3788 0.16851E+00 -0.7734
98 HF,aq 0.20177E-04 -4.6951 0.20177E-04 -4.6951 0.10000E+01 0.0000
99 HF2- 0.29870E-08 -8.5248 0.19407E-08 -8.7120 0.64972E+00 -0.1873
101 FeCl+ 0.46652E-07 -7.3311 0.30299E-07 -7.5186 0.64947E+00 -0.1874
104 FeF+ 0.16128E-08 -8.7924 0.10474E-08 -8.9799 0.64947E+00 -0.1874
107 FeOH+ 0.17682E-09 -9.7525 0.11484E-09 -9.9399 0.64947E+00 -0.1874
113 H2,aq 0.76148E-09 -9.1183 0.70160E-09 -9.1539 0.92137E+00 -0.0356
114 KCl,aq 0.37459E-04 -4.4264 0.37459E-04 -4.4264 0.10000E+01 0.0000
116 KOH,aq 0.19068E-09 -9.7197 0.19068E-09 -9.7197 0.10000E+01 0.0000
117 KSO4- 0.21045E-05 -5.6769 0.13673E-05 -5.8641 0.64972E+00 -0.1873
118 MgCO3,aq 0.10249E-08 -8.9893 0.10249E-08 -8.9893 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.14944E-05 -5.8255 0.97056E-06 -6.0130 0.64947E+00 -0.1874
120 MgCl+ 0.47677E-05 -5.3217 0.30964E-05 -5.5091 0.64947E+00 -0.1874
121 MgF+ 0.17447E-06 -6.7583 0.11331E-06 -6.9457 0.64947E+00 -0.1874
122 MgOH+ 0.14962E-09 -9.8250 0.97175E-10 -10.0124 0.64947E+00 -0.1874
124 MnF+ 0.95018E-08 -8.0222 0.61711E-08 -8.2096 0.64947E+00 -0.1874
126 MnOH+ 0.28359E-09 -9.5473 0.18418E-09 -9.7348 0.64947E+00 -0.1874
131 MnCl+ 0.27610E-05 -5.5589 0.17932E-05 -5.7464 0.64947E+00 -0.1874
132 MnSO4,aq 0.31899E-08 -8.4962 0.31899E-08 -8.4962 0.10000E+01 0.0000
133 NaCl,aq 0.27186E-01 -1.5657 0.27186E-01 -1.5657 0.10000E+01 0.0000
134 NaF,aq 0.19169E-04 -4.7174 0.19169E-04 -4.7174 0.10000E+01 0.0000
135 NaOH,aq 0.66839E-08 -8.1750 0.66839E-08 -8.1750 0.10000E+01 0.0000
137 OH- 0.50510E-07 -7.2966 0.33004E-07 -7.4814 0.65342E+00 -0.1848
140 PbCl+ 0.35391E-08 -8.4511 0.22985E-08 -8.6386 0.64947E+00 -0.1874
141 PbCl2,aq 0.36456E-08 -8.4382 0.36456E-08 -8.4382 0.10000E+01 0.0000
142 PbCl3- 0.80688E-09 -9.0932 0.52425E-09 -9.2805 0.64972E+00 -0.1873
143 PbCl4-2 0.28709E-09 -9.5420 0.48379E-10 -10.3153 0.16851E+00 -0.7734
150 H2S,aq 0.20086E-05 -5.6971 0.18507E-05 -5.7327 0.92137E+00 -0.0356
159 HSO4- 0.11142E-06 -6.9531 0.72845E-07 -7.1376 0.65381E+00 -0.1845
173 ZnCl+ 0.33145E-06 -6.4796 0.21527E-06 -6.6670 0.64947E+00 -0.1874
174 ZnCl2,aq 0.40361E-07 -7.3940 0.40361E-07 -7.3940 0.10000E+01 0.0000
175 ZnCl3- 0.34354E-08 -8.4640 0.22321E-08 -8.6513 0.64972E+00 -0.1873
176 ZnF+ 0.18458E-09 -9.7338 0.11988E-09 -9.9213 0.64947E+00 -0.1874
178 ZnOH+ 0.40210E-08 -8.3957 0.26115E-08 -8.5831 0.64947E+00 -0.1874
Charge balance for all species = -.4466E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2189890E-04 0.1114415E+00 0.1083019E+03 0.0000
2 H2O 0.1000000E+01 0.5539688E+02 0.9622358E+06 0.0000
3 Cl- 0.5051570E+00 0.5324556E+00 0.1820083E+05 4.3489
4 SO4-- 0.6251816E-04 0.6499273E-04 0.6019624E+01 4.6912
5 HCO3- 0.9192292E-02 0.1205650E+00 0.7092970E+04 2.6097
6 HS- 0.7549023E-07 0.2085967E-05 0.6651546E-01 -2.4767
7 H4SiO4 0.8855764E-03 0.8860737E-03 0.8211406E+02 -3.0528
8 Al+++ 0.2877122E-10 0.9089548E-09 0.2364629E-04 2.2104
9 Ca++ 0.6431628E-03 0.7253384E-03 0.2802860E+02 5.6856
10 Mg++ 0.5274509E-04 0.5918285E-04 0.1387303E+01 4.5942
11 Fe++ 0.4923097E-06 0.5407510E-06 0.2911735E-01 2.5653
12 K+ 0.1562199E-01 0.1566155E-01 0.5904572E+03 2.8387
13 Na+ 0.4978072E+00 0.5250129E+00 0.1163750E+05 4.3399
14 Mn++ 0.9104808E-05 0.1187882E-04 0.6292178E+00 3.8332
15 Zn++ 0.9337077E-07 0.4728273E-06 0.2980134E-01 1.8433
16 Cu+ 0.2704124E-13 0.3497041E-09 0.2142410E-04 -8.9251
17 Pb++ 0.9124052E-09 0.9203647E-08 0.1838584E-02 -0.1580
18 Ag+ 0.6556571E-13 0.1930919E-08 0.2008258E-03 -8.5389
19 Au+ 0.1369441E-24 0.4224413E-12 0.8022589E-07 -20.2182
20 Ba++ 0.1220850E-05 0.1400357E-05 0.1854345E+00 2.9719
21 F- 0.5208091E-03 0.5609131E-03 0.1027444E+02 1.3657
22 H2AsO3- 0.1175122E-07 0.4466645E-04 0.5380501E+01 -3.2539
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234479E+00 -.1275145E-04 0.0000000E+00
2 H2O 0.1607835E+03 0.1607840E+03 -.4776101E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4228149E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.6054314E-05 0.7975996E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2571742E-02 0.2399989E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2638152E-08 0.2404641E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569477E-05 0.3382843E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1372335E-05 0.6095841E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1014982E-08 0.1691421E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.2671268E-07 0.1538308E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.5604303E-08 0.4215238E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.1226094E-11 0.1884866E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404641E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.3388E-20 Mass of aqueous solution: 0.301025E+04 g
Temperature = 87.32 C Pressure = 500.00 bar Mixer frac. = 1.9000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2388E-03 -3.622 0.1435E-01 -1.843 91.97 0.5418E-02
argentite 0.2108E-06 -6.676 0.5223E-04 -4.282 0.3348 0.7334E-05
bornite 0.3383E-07 -7.471 0.1698E-04 -4.770 0.1088 0.3340E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.419 0.6195E-04
galena 0.1538E-05 -5.813 0.3680E-03 -3.434 2.359 0.4844E-04
gold,native 0.1885E-11 -11.725 0.3713E-09 -9.430 0.2380E-05 0.1925E-10
silver,native 0.1348E-11 -11.870 0.1454E-09 -9.837 0.9324E-06 0.1385E-10
sphalerite 0.6096E-05 -5.215 0.5939E-03 -3.226 3.807 0.1452E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.5830E+00 0.2540E+00 0.4357 -0.595
silver,native 0.4170E+00 0.5626E-01 0.1349 -1.250
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 1.9000000
Solid products produced: Mass = 0.015599 g Volume = 0.005684 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 87.3161 deg.C
Sat. pressure: 20.4430 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.4510E-01 0.8882 0.8190E+00 0.9220E+00
CO2,gas 0.9521E+00 0.9362 0.1822E+02 0.1946E+02
CH4,gas 0.3996E-08 1.0157 0.8297E-07 0.8169E-07
H2,gas 0.7038E-07 1.0113 0.1455E-05 0.1439E-05
H2S,gas 0.4165E-05 0.9177 0.7814E-04 0.8515E-04
S2,gas 0.7708E-18 1.0000 0.1576E-16 0.1576E-16
CO,gas 0.2680E-09 1.0000 0.5479E-08 0.5479E-08
SO3,gas 0.2384E-32 1.0000 0.4873E-31 0.4873E-31
O2,gas 0.2759E-02 1.0000 0.5640E-01 0.5640E-01
SO2,gas 0.8403E-15 1.0000 0.1718E-13 0.1718E-13
HF,gas 0.1783E-08 1.0000 0.3644E-07 0.3644E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.04 -3.04 0.00 0.000 0.00000E+00
197 argentite -29.22 -29.22 0.00 0.000 0.00000E+00
206 bornite -90.94 -90.94 0.00 0.000 0.23440E-10
226 topaz -15.23 -15.23 0.00 0.000 -0.58600E-11
261 galena -12.30 -12.30 0.00 0.000 0.87899E-11
262 gold,native -19.31 -19.31 0.00 0.000 0.58600E-11
263 silver,native -6.98 -6.98 0.00 0.000 -0.29300E-11
273 sphalerite -10.30 -10.30 0.00 0.000 0.29300E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.78 -0.01 -2.79 -2.786 0.45948E+04 -0.087
2 CO2,gas -5.61 -7.05 -1.44 -0.479 0.23725E+04 1.261
3 CH4,gas 5.21 -4.57 -9.78 -2.445 0.16132E+05 -7.081
4 H2,gas 9.15 0.62 -8.54 -4.878 0.14080E+05 -5.837
5 H2S,gas -5.34 -12.14 -6.81 -3.403 0.11226E+05 -4.107
6 S2,gas -6.02 -25.52 -19.50 -3.000 0.32166E+05 -16.803
7 CO,gas 4.54 -6.42 -10.96 -3.372 0.18078E+05 -8.261
8 SO3,gas 19.38 -14.63 -34.01 -8.503 0.56099E+05 -31.312
9 O2,gas 52.65 -1.25 -53.90 -35.936 0.88910E+05 -51.204
10 SO2,gas 2.46 -14.01 -16.46 -4.390 0.27156E+05 -13.765
11 HF,gas 1.84 -8.30 -10.14 -5.069 0.16721E+05 -7.438
12 HCl,gas 6.49 -5.32 -11.81 -5.904 0.19477E+05 -11.809
17 albite-high 1.58 -2.58 -4.15 -0.319 0.68500E+04
18 albite 0.43 -2.58 -3.00 -0.231 0.49555E+04
22 analcite 4.19 0.45 -3.74 -0.416 0.61722E+04
26 anhydrite -4.79 -8.95 -4.16 -2.080 0.68632E+04
27 ankerite -1.47 -5.86 -4.39 -0.732 0.72395E+04
34 aragonite 1.31 -1.37 -2.68 -0.892 0.44162E+04
36 calcite 1.17 -1.37 -2.54 -0.847 0.41896E+04
53 coesite -2.42 -3.04 -0.62 -0.206 0.10212E+04
60 cristobalite -2.55 -3.04 -0.49 -0.163 0.80483E+03
65 diaspore 3.57 2.19 -1.37 -0.229 0.22652E+04
66 diamond -3.33 -5.80 -2.47 -0.706 0.40765E+04
83 gibbsite 4.74 2.19 -2.55 -0.365 0.42091E+04
86 goethite 6.87 2.24 -4.63 -1.000 0.76313E+04
87 graphite -3.77 -5.80 -2.03 -0.580 0.33504E+04
90 halite 1.65 -0.98 -2.63 -1.315 0.43365E+04
96 jadeite 4.96 0.46 -4.50 -0.450 0.74188E+04
99 kaolinite -0.13 -1.69 -1.56 -0.142 0.25772E+04
107 magnesite 1.11 -2.46 -3.57 -1.190 0.58867E+04
117 microcline -1.81 -4.08 -2.27 -0.174 0.37398E+04
121 muscovite 4.62 0.31 -4.31 -0.253 0.71045E+04
122 paragonite 6.38 1.81 -4.57 -0.269 0.75301E+04
143 pyrite -21.48 -22.34 -0.85 -0.201 0.14077E+04
145 pyrrhotiteFe0.875 -5.86 -9.97 -4.11 -1.512 0.67794E+04
147 pyrophyllite -4.95 -7.76 -2.80 -0.175 0.46265E+04
153 rhodochrosite -0.69 -3.22 -2.53 -0.843 0.41694E+04
155 sanidine -0.56 -4.08 -3.52 -0.271 0.58054E+04
157 siderite -2.29 -4.49 -2.20 -0.732 0.36229E+04
165 stilbite -6.26 -11.24 -4.98 -0.237 0.82085E+04
171 sulfur -9.20 -12.76 -3.55 -1.094 0.58628E+04
172 sylvite 1.37 -2.48 -3.84 -1.922 0.63417E+04
180 topaz-H 5.98 1.35 -4.62 -0.420 0.76279E+04
181 tridymite -2.62 -3.04 -0.42 -0.139 0.68834E+03
198 arsenic -7.53 -11.97 -4.44 -1.146 0.73261E+04
205 beidellite-Na 0.24 -4.60 -4.84 -0.296 0.79793E+04
208 chalcedony -2.84 -3.04 -0.19 -0.065 0.31995E+03
209 chalcocite -28.74 -29.99 -1.25 -0.313 0.20628E+04
211 covellite -20.45 -21.38 -0.93 -0.353 0.15271E+04
212 dawsonite 2.32 -0.52 -2.84 -0.356 0.46914E+04
217 montmorillonite-Na -0.80 -5.54 -4.74 -0.290 0.78234E+04
230 gypsum -4.59 -8.97 -4.38 -1.095 0.72276E+04
246 acanthite -29.15 -29.22 -0.07 -0.018 0.12169E+03
252 barite -9.17 -11.67 -2.50 -1.248 0.41156E+04
253 boehmite 5.19 2.19 -3.00 -0.500 0.49465E+04
254 cerussite -2.70 -7.21 -4.51 -1.503 0.74371E+04
255 chalcopyrite -29.03 -30.95 -1.93 -0.358 0.31762E+04
260 fluorite -9.59 -10.91 -1.33 -0.443 0.21915E+04
270 silica-amorphous -2.05 -3.04 -0.99 -0.329 0.16282E+04
271 smithsonite -0.38 -5.21 -4.84 -1.612 0.79770E+04
274 wurtzite -8.40 -10.30 -1.90 -0.633 0.31339E+04
276 an20ab80 3.11 -1.26 -4.37 -0.336 0.72037E+04
277 an25ab75 3.80 -0.93 -4.74 -0.364 0.78114E+04
Calculations done for 87.3161 Deg. C; 500.0000 bar
Mixer fraction: 1.9000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 87.316 .60008E+00 1.742
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.1625E+03
New heat: 1.706 New temperature: 85.268
New mixer fraction: 2.0000000
Resulting temperature: 85.268Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 85.27 C Pressure = 500.00 bar Mixer fraction = 2.0000000
Water: Moles liquid = 0.1667E+03 kg liquid = 0.3002E+01
Moles total = 0.1663E+03 kg total = 0.2997E+01 Activity = 0.9829
Stoichiometric ionic strength = .5800572E+00 Osmotic coef. = 0.9275
True ionic strength = .4996613E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22059E-04 -4.6564 0.14880E-04 -4.8274 0.67458E+00 -0.1710
2 H2O 0.98294E+00 -0.0075 0.98294E+00 -0.0075
3 Cl- 0.48942E+00 -0.3103 0.31923E+00 -0.4959 0.65226E+00 -0.1856
4 SO4-- 0.60507E-04 -4.2182 0.10520E-04 -4.9780 0.17386E+00 -0.7598
5 HCO3- 0.88872E-02 -2.0512 0.58072E-02 -2.2360 0.65344E+00 -0.1848
6 HS- 0.70188E-07 -7.1537 0.45782E-07 -7.3393 0.65227E+00 -0.1856
7 H4SiO4 0.85155E-03 -3.0698 0.85155E-03 -3.0698 0.10000E+01 0.0000
8 Al+++ 0.33096E-10 -10.4802 0.62734E-12 -12.2025 0.18955E-01 -1.7223
9 Ca++ 0.62469E-03 -3.2043 0.10433E-03 -3.9816 0.16700E+00 -0.7773
10 Mg++ 0.51169E-04 -4.2910 0.84492E-05 -5.0732 0.16512E+00 -0.7822
11 Fe++ 0.47735E-06 -6.3212 0.78990E-07 -7.1024 0.16548E+00 -0.7813
12 K+ 0.15104E-01 -1.8209 0.98381E-02 -2.0071 0.65135E+00 -0.1862
13 Na+ 0.48231E+00 -0.3167 0.31277E+00 -0.5048 0.64848E+00 -0.1881
14 Mn++ 0.89335E-05 -5.0490 0.14811E-05 -5.8294 0.16579E+00 -0.7804
15 Zn++ 0.93907E-07 -7.0273 0.15539E-07 -7.8086 0.16548E+00 -0.7813
16 Cu+ 0.22972E-13 -13.6388 0.14896E-13 -13.8269 0.64845E+00 -0.1881
17 Pb++ 0.84156E-09 -9.0749 0.14196E-09 -9.8478 0.16868E+00 -0.7729
18 Ag+ 0.55235E-13 -13.2578 0.35936E-13 -13.4445 0.65061E+00 -0.1867
19 Au+ 0.10169E-24 -24.9927 0.66278E-25 -25.1786 0.65180E+00 -0.1859
20 Ba++ 0.11892E-05 -5.9248 0.20211E-06 -6.6944 0.16996E+00 -0.7697
21 F- 0.50478E-03 -3.2969 0.33214E-03 -3.4787 0.65799E+00 -0.1818
22 H2AsO3- 0.10517E-07 -7.9781 0.73449E-08 -8.1340 0.69838E+00 -0.1559
24 HSiO3- 0.10216E-06 -6.9907 0.66636E-07 -7.1763 0.65226E+00 -0.1856
25 Ca(HSiO3)+ 0.17496E-09 -9.7571 0.11404E-09 -9.9429 0.65180E+00 -0.1859
26 Mg(HSiO3)+ 0.18745E-10 -10.7271 0.12218E-10 -10.9130 0.65180E+00 -0.1859
27 NaHSiO3,aq 0.35456E-06 -6.4503 0.35456E-06 -6.4503 0.10000E+01 0.0000
32 AgCl2- 0.18820E-09 -9.7254 0.12275E-09 -9.9110 0.65226E+00 -0.1856
33 AgCl3-2 0.42002E-10 -10.3767 0.72510E-11 -11.1396 0.17263E+00 -0.7629
38 Ag(HS),aq 0.15505E-08 -8.8095 0.15505E-08 -8.8095 0.10000E+01 0.0000
40 AlO+ 0.10239E-09 -9.9897 0.66740E-10 -10.1756 0.65180E+00 -0.1859
41 AlOH+2 0.55037E-10 -10.2593 0.91470E-11 -11.0387 0.16620E+00 -0.7794
42 HAlO2,aq 0.55624E-09 -9.2547 0.55624E-09 -9.2547 0.10000E+01 0.0000
43 AlO2- 0.89331E-10 -10.0490 0.58618E-10 -10.2320 0.65619E+00 -0.1830
44 AsO2- 0.85995E-08 -8.0655 0.56091E-08 -8.2511 0.65226E+00 -0.1856
45 HAsO2,aq 0.18683E-04 -4.7285 0.18683E-04 -4.7285 0.10000E+01 0.0000
46 H3AsO3,aq 0.24476E-04 -4.6113 0.24476E-04 -4.6113 0.10000E+01 0.0000
62 BaCO3,aq 0.19876E-10 -10.7017 0.19876E-10 -10.7017 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.66144E-07 -7.1795 0.43272E-07 -7.3638 0.65421E+00 -0.1843
64 BaCl+ 0.98226E-07 -7.0078 0.64024E-07 -7.1937 0.65180E+00 -0.1859
65 BaF+ 0.15989E-09 -9.7962 0.10422E-09 -9.9821 0.65180E+00 -0.1859
66 CH4,aq 0.28861E-10 -10.5397 0.26633E-10 -10.5746 0.92278E+00 -0.0349
72 CO2,aq 0.10764E+00 -0.9680 0.99331E-01 -1.0029 0.92278E+00 -0.0349
73 CO3-2 0.32673E-06 -6.4858 0.56405E-07 -7.2487 0.17263E+00 -0.7629
74 CaCO3,aq 0.43375E-07 -7.3628 0.43375E-07 -7.3628 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.16976E-04 -4.7702 0.11065E-04 -4.9561 0.65180E+00 -0.1859
76 CaCl+ 0.56254E-04 -4.2498 0.36666E-04 -4.4357 0.65180E+00 -0.1859
77 CaCl2,aq 0.24478E-05 -5.6112 0.24478E-05 -5.6112 0.10000E+01 0.0000
78 CaF+ 0.52709E-06 -6.2781 0.34356E-06 -6.4640 0.65180E+00 -0.1859
79 CaOH+ 0.25526E-09 -9.5930 0.16638E-09 -9.7789 0.65180E+00 -0.1859
80 CaSO4,aq 0.24552E-06 -6.6099 0.24552E-06 -6.6099 0.10000E+01 0.0000
81 HCl,aq 0.10302E-05 -5.9871 0.10302E-05 -5.9871 0.10000E+01 0.0000
90 CuCl,aq 0.29447E-10 -10.5310 0.29447E-10 -10.5310 0.10000E+01 0.0000
91 CuCl2- 0.23669E-09 -9.6258 0.15438E-09 -9.8114 0.65226E+00 -0.1856
92 CuCl3-2 0.19717E-10 -10.7052 0.34039E-11 -11.4680 0.17263E+00 -0.7629
98 HF,aq 0.19024E-04 -4.7207 0.19024E-04 -4.7207 0.10000E+01 0.0000
99 HF2- 0.27167E-08 -8.5660 0.17720E-08 -8.7515 0.65226E+00 -0.1856
101 FeCl+ 0.43704E-07 -7.3595 0.28486E-07 -7.5454 0.65180E+00 -0.1859
104 FeF+ 0.15198E-08 -8.8182 0.99058E-09 -9.0041 0.65180E+00 -0.1859
107 FeOH+ 0.15716E-09 -9.8037 0.10244E-09 -9.9895 0.65180E+00 -0.1859
113 H2,aq 0.66442E-09 -9.1776 0.61312E-09 -9.2125 0.92278E+00 -0.0349
114 KCl,aq 0.33732E-04 -4.4720 0.33732E-04 -4.4720 0.10000E+01 0.0000
116 KOH,aq 0.16487E-09 -9.7829 0.16487E-09 -9.7829 0.10000E+01 0.0000
117 KSO4- 0.19682E-05 -5.7059 0.12838E-05 -5.8915 0.65226E+00 -0.1856
118 MgCO3,aq 0.94359E-09 -9.0252 0.94359E-09 -9.0252 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.13940E-05 -5.8557 0.90862E-06 -6.0416 0.65180E+00 -0.1859
120 MgCl+ 0.44840E-05 -5.3483 0.29227E-05 -5.5342 0.65180E+00 -0.1859
121 MgF+ 0.16329E-06 -6.7870 0.10643E-06 -6.9729 0.65180E+00 -0.1859
122 MgOH+ 0.12935E-09 -9.8882 0.84309E-10 -10.0741 0.65180E+00 -0.1859
124 MnF+ 0.90204E-08 -8.0448 0.58795E-08 -8.2307 0.65180E+00 -0.1859
126 MnOH+ 0.25168E-09 -9.5991 0.16405E-09 -9.7850 0.65180E+00 -0.1859
131 MnCl+ 0.25373E-05 -5.5956 0.16538E-05 -5.7815 0.65180E+00 -0.1859
132 MnSO4,aq 0.30720E-08 -8.5126 0.30720E-08 -8.5126 0.10000E+01 0.0000
133 NaCl,aq 0.25198E-01 -1.5986 0.25198E-01 -1.5986 0.10000E+01 0.0000
134 NaF,aq 0.17720E-04 -4.7515 0.17720E-04 -4.7515 0.10000E+01 0.0000
135 NaOH,aq 0.58606E-08 -8.2321 0.58606E-08 -8.2321 0.10000E+01 0.0000
137 OH- 0.45663E-07 -7.3404 0.29964E-07 -7.5234 0.65619E+00 -0.1830
140 PbCl+ 0.31553E-08 -8.5010 0.20566E-08 -8.6868 0.65180E+00 -0.1859
141 PbCl2,aq 0.31167E-08 -8.5063 0.31167E-08 -8.5063 0.10000E+01 0.0000
142 PbCl3- 0.66386E-09 -9.1779 0.43301E-09 -9.3635 0.65226E+00 -0.1856
143 PbCl4-2 0.22717E-09 -9.6436 0.39217E-10 -10.4065 0.17263E+00 -0.7629
150 H2S,aq 0.19216E-05 -5.7163 0.17732E-05 -5.7512 0.92278E+00 -0.0349
159 HSO4- 0.10416E-06 -6.9823 0.68335E-07 -7.1654 0.65605E+00 -0.1831
173 ZnCl+ 0.29871E-06 -6.5247 0.19470E-06 -6.7106 0.65180E+00 -0.1859
174 ZnCl2,aq 0.35702E-07 -7.4473 0.35702E-07 -7.4473 0.10000E+01 0.0000
175 ZnCl3- 0.30005E-08 -8.5228 0.19571E-08 -8.7084 0.65226E+00 -0.1856
176 ZnF+ 0.17986E-09 -9.7451 0.11723E-09 -9.9310 0.65180E+00 -0.1859
178 ZnOH+ 0.35494E-08 -8.4498 0.23135E-08 -8.6357 0.65180E+00 -0.1859
Charge balance for all species = -.4317E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2205872E-04 0.1077297E+00 0.1048199E+03 0.0000
2 H2O 0.1000000E+01 0.5540059E+02 0.9634504E+06 0.0000
3 Cl- 0.4894196E+00 0.5147212E+00 0.1761564E+05 4.3315
4 SO4-- 0.6050730E-04 0.6282803E-04 0.5826084E+01 4.6768
5 HCO3- 0.8887218E-02 0.1165493E+00 0.6864921E+04 2.5914
6 HS- 0.7018806E-07 0.1993502E-05 0.6364299E-01 -2.5119
7 H4SiO4 0.8515475E-03 0.8520044E-03 0.7905117E+02 -3.0698
8 Al+++ 0.3309576E-10 0.8361004E-09 0.2177700E-04 2.2797
9 Ca++ 0.6246861E-03 0.7011797E-03 0.2712744E+02 5.6732
10 Mg++ 0.5116926E-04 0.5721166E-04 0.1342699E+01 4.5816
11 Fe++ 0.4773486E-06 0.5227298E-06 0.2818063E-01 2.5523
12 K+ 0.1510421E-01 0.1513991E-01 0.5714732E+03 2.8203
13 Na+ 0.4823101E+00 0.5075264E+00 0.1126334E+05 4.3226
14 Mn++ 0.8933504E-05 0.1148318E-04 0.6089876E+00 3.8254
15 Zn++ 0.9390658E-07 0.4350505E-06 0.2745312E-01 1.8462
16 Cu+ 0.2297202E-13 0.2858796E-09 0.1753492E-04 -8.9995
17 Pb++ 0.8415584E-09 0.8015914E-08 0.1603228E-02 -0.1931
18 Ag+ 0.5523520E-13 0.1790552E-08 0.1864494E-03 -8.6171
19 Au+ 0.1016850E-24 0.3788436E-12 0.7203223E-07 -20.3512
20 Ba++ 0.1189167E-05 0.1353716E-05 0.1794726E+00 2.9604
21 F- 0.5047797E-03 0.5422309E-03 0.9944103E+01 1.3487
22 H2AsO3- 0.1051714E-07 0.4317876E-04 0.5207511E+01 -3.3066
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234480E+00 -.1282070E-04 0.0000000E+00
2 H2O 0.1663344E+03 0.1663349E+03 -.5049741E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4232049E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5985295E-05 0.8045016E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2558060E-02 0.2536810E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2510310E-08 0.2404769E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569445E-05 0.3385976E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1306197E-05 0.6161980E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.8583256E-09 0.1692988E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.2406700E-07 0.1540954E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.5375957E-08 0.4217521E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.1137441E-11 0.1973520E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404769E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.311025E+04 g
Temperature = 85.27 C Pressure = 500.00 bar Mixer frac. = 2.0000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2525E-03 -3.598 0.1517E-01 -1.819 92.33 0.5728E-02
argentite 0.2109E-06 -6.676 0.5225E-04 -4.282 0.3181 0.7338E-05
bornite 0.3386E-07 -7.470 0.1699E-04 -4.770 0.1034 0.3343E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.347 0.6195E-04
galena 0.1541E-05 -5.812 0.3687E-03 -3.433 2.244 0.4852E-04
gold,native 0.1974E-11 -11.705 0.3887E-09 -9.410 0.2366E-05 0.2016E-10
silver,native 0.1394E-11 -11.856 0.1504E-09 -9.823 0.9153E-06 0.1432E-10
sphalerite 0.6162E-05 -5.210 0.6004E-03 -3.222 3.654 0.1468E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.5860E+00 0.2574E+00 0.4392 -0.589
silver,native 0.4140E+00 0.5410E-01 0.1307 -1.267
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.0000000
Solid products produced: Mass = 0.016428 g Volume = 0.005996 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 85.2677 deg.C
Sat. pressure: 19.2640 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.4402E-01 0.8940 0.7581E+00 0.8480E+00
CO2,gas 0.9560E+00 0.9385 0.1728E+02 0.1842E+02
CH4,gas 0.3901E-08 1.0147 0.7624E-07 0.7514E-07
H2,gas 0.6584E-07 1.0107 0.1282E-05 0.1268E-05
H2S,gas 0.4143E-05 0.9211 0.7352E-04 0.7982E-04
S2,gas 0.6737E-18 1.0000 0.1298E-16 0.1298E-16
CO,gas 0.2374E-09 1.0000 0.4574E-08 0.4574E-08
SO3,gas 0.1599E-32 1.0000 0.3081E-31 0.3081E-31
O2,gas 0.2834E-55 1.0000 0.5460E-54 0.5460E-54
SO2,gas 0.7056E-15 1.0000 0.1359E-13 0.1359E-13
HF,gas 0.1634E-08 1.0000 0.3148E-07 0.3148E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.05 -3.05 0.00 0.000 0.00000E+00
197 argentite -29.40 -29.40 0.00 0.000 0.00000E+00
206 bornite -91.42 -91.42 0.00 0.000 0.23307E-10
226 topaz -15.12 -15.12 0.00 0.000 0.00000E+00
261 galena -12.36 -12.36 0.00 0.000 0.29133E-11
262 gold,native -19.46 -19.46 0.00 0.000 0.00000E+00
263 silver,native -7.05 -7.05 0.00 0.000 0.14567E-11
273 sphalerite -10.32 -10.32 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.81 -0.01 -2.82 -2.819 0.46238E+04 -0.120
2 CO2,gas -5.59 -7.06 -1.46 -0.487 0.23967E+04 1.238
3 CH4,gas 5.21 -4.60 -9.82 -2.454 0.16100E+05 -7.118
4 H2,gas 9.20 0.61 -8.59 -4.909 0.14090E+05 -5.892
5 H2S,gas -5.33 -12.17 -6.83 -3.416 0.11206E+05 -4.134
6 S2,gas -5.97 -25.55 -19.59 -3.013 0.32122E+05 -16.887
7 CO,gas 4.60 -6.44 -11.04 -3.397 0.18104E+05 -8.340
8 SO3,gas 19.58 -14.63 -34.21 -8.553 0.56107E+05 -31.511
9 O2,gas 55.73 -1.23 -56.96 -37.975 0.93421E+05 -54.263
10 SO2,gas 2.56 -14.01 -16.57 -4.418 0.27169E+05 -13.867
11 HF,gas 1.89 -8.31 -10.20 -5.100 0.16730E+05 -7.502
12 HCl,gas 3.86 -5.32 -9.18 -4.592 0.15063E+05 -9.184
17 albite-high 1.65 -2.58 -4.23 -0.325 0.69343E+04
18 albite 0.49 -2.58 -3.07 -0.236 0.50314E+04
22 analcite 4.28 0.47 -3.81 -0.423 0.62435E+04
26 anhydrite -4.76 -8.96 -4.20 -2.100 0.68886E+04
27 ankerite -1.42 -5.90 -4.48 -0.747 0.73490E+04
34 aragonite 1.34 -1.39 -2.73 -0.909 0.44712E+04
36 calcite 1.20 -1.39 -2.59 -0.863 0.42461E+04
53 coesite -2.43 -3.05 -0.62 -0.207 0.10204E+04
60 cristobalite -2.56 -3.05 -0.49 -0.164 0.80839E+03
65 diaspore 3.65 2.26 -1.39 -0.232 0.22791E+04
66 diamond -3.36 -5.82 -2.46 -0.704 0.40399E+04
83 gibbsite 4.83 2.26 -2.57 -0.367 0.42113E+04
86 goethite 6.93 2.23 -4.69 -1.015 0.76991E+04
87 graphite -3.80 -5.82 -2.02 -0.578 0.33156E+04
90 halite 1.65 -1.00 -2.66 -1.328 0.43553E+04
96 jadeite 5.04 0.48 -4.56 -0.456 0.74790E+04
99 kaolinite -0.01 -1.59 -1.58 -0.144 0.25917E+04
107 magnesite 1.15 -2.48 -3.63 -1.211 0.59573E+04
117 microcline -1.77 -4.08 -2.31 -0.178 0.37888E+04
121 muscovite 4.83 0.45 -4.38 -0.258 0.71865E+04
122 paragonite 6.61 1.95 -4.66 -0.274 0.76352E+04
143 pyrite -21.55 -22.39 -0.84 -0.197 0.13705E+04
145 pyrrhotiteFe0.875 -5.86 -10.01 -4.15 -1.525 0.68026E+04
147 pyrophyllite -4.85 -7.69 -2.84 -0.177 0.46574E+04
153 rhodochrosite -0.67 -3.24 -2.57 -0.855 0.42072E+04
155 sanidine -0.51 -4.08 -3.57 -0.275 0.58543E+04
157 siderite -2.27 -4.51 -2.24 -0.747 0.36747E+04
171 sulfur -9.23 -12.78 -3.54 -1.091 0.58128E+04
172 sylvite 1.36 -2.50 -3.86 -1.931 0.63354E+04
180 topaz-H 6.14 1.47 -4.67 -0.424 0.76517E+04
181 tridymite -2.63 -3.05 -0.42 -0.140 0.69023E+03
198 arsenic -7.58 -12.03 -4.45 -1.147 0.72922E+04
205 beidellite-Na 0.39 -4.51 -4.90 -0.300 0.80343E+04
208 chalcedony -2.86 -3.05 -0.20 -0.065 0.32002E+03
209 chalcocite -28.91 -30.17 -1.25 -0.313 0.20537E+04
211 covellite -20.56 -21.47 -0.91 -0.347 0.14938E+04
212 dawsonite 2.39 -0.48 -2.86 -0.358 0.46942E+04
217 montmorillonite-Na -0.69 -5.50 -4.81 -0.295 0.78948E+04
230 gypsum -4.57 -8.97 -4.40 -1.101 0.72216E+04
246 acanthite -29.33 -29.40 -0.07 -0.018 0.11697E+03
252 barite -9.17 -11.67 -2.50 -1.249 0.40964E+04
253 boehmite 5.29 2.26 -3.03 -0.505 0.49680E+04
254 cerussite -2.71 -7.26 -4.55 -1.516 0.74597E+04
255 chalcopyrite -29.15 -31.09 -1.94 -0.360 0.31776E+04
260 fluorite -9.58 -10.94 -1.36 -0.453 0.22280E+04
270 silica-amorphous -2.06 -3.05 -1.00 -0.332 0.16333E+04
271 smithsonite -0.34 -5.22 -4.87 -1.624 0.79914E+04
274 wurtzite -8.41 -10.32 -1.91 -0.637 0.31341E+04
276 an20ab80 3.21 -1.24 -4.45 -0.342 0.72978E+04
277 an25ab75 3.91 -0.91 -4.82 -0.371 0.79098E+04
Calculations done for 85.2677 Deg. C; 500.0000 bar
Mixer fraction: 2.0000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 85.268 .58006E+00 1.706
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.1681E+03
New heat: 1.672 New temperature: 83.350
New mixer fraction: 2.1000000
Resulting temperature: 83.350Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 83.35 C Pressure = 500.00 bar Mixer fraction = 2.1000000
Water: Moles liquid = 0.1722E+03 kg liquid = 0.3102E+01
Moles total = 0.1719E+03 kg total = 0.3097E+01 Activity = 0.9835
Stoichiometric ionic strength = .5613249E+00 Osmotic coef. = 0.9272
True ionic strength = .4845282E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22187E-04 -4.6539 0.15036E-04 -4.8229 0.67770E+00 -0.1690
2 H2O 0.98349E+00 -0.0072 0.98349E+00 -0.0072
3 Cl- 0.47461E+00 -0.3237 0.31073E+00 -0.5076 0.65469E+00 -0.1840
4 SO4-- 0.58621E-04 -4.2319 0.10423E-04 -4.9820 0.17781E+00 -0.7500
5 HCO3- 0.86018E-02 -2.0654 0.56405E-02 -2.2487 0.65574E+00 -0.1833
6 HS- 0.65514E-07 -7.1837 0.42891E-07 -7.3676 0.65469E+00 -0.1840
7 H4SiO4 0.82039E-03 -3.0860 0.82039E-03 -3.0860 0.10000E+01 0.0000
8 Al+++ 0.37727E-10 -10.4234 0.75391E-12 -12.1227 0.19983E-01 -1.6993
9 Ca++ 0.60717E-03 -3.2167 0.10381E-03 -3.9838 0.17097E+00 -0.7671
10 Mg++ 0.49683E-04 -4.3038 0.84039E-05 -5.0755 0.16915E+00 -0.7717
11 Fe++ 0.46325E-06 -6.3342 0.78515E-07 -7.1050 0.16949E+00 -0.7709
12 K+ 0.14620E-01 -1.8351 0.95557E-02 -2.0197 0.65363E+00 -0.1847
13 Na+ 0.46773E+00 -0.3300 0.30446E+00 -0.5165 0.65094E+00 -0.1865
14 Mn++ 0.87627E-05 -5.0574 0.14878E-05 -5.8275 0.16979E+00 -0.7701
15 Zn++ 0.94267E-07 -7.0256 0.15977E-07 -7.7965 0.16949E+00 -0.7709
16 Cu+ 0.19664E-13 -13.7063 0.12800E-13 -13.8928 0.65090E+00 -0.1865
17 Pb++ 0.77810E-09 -9.1090 0.13432E-09 -9.8719 0.17262E+00 -0.7629
18 Ag+ 0.46909E-13 -13.3287 0.30627E-13 -13.5139 0.65292E+00 -0.1851
19 Au+ 0.76550E-25 -25.1161 0.50068E-25 -25.3004 0.65406E+00 -0.1844
20 Ba++ 0.11587E-05 -5.9360 0.20148E-06 -6.6958 0.17388E+00 -0.7597
21 F- 0.48969E-03 -3.3101 0.32352E-03 -3.4901 0.66065E+00 -0.1800
22 H2AsO3- 0.94714E-08 -8.0236 0.66266E-08 -8.1787 0.69965E+00 -0.1551
24 HSiO3- 0.93989E-07 -7.0269 0.61534E-07 -7.2109 0.65469E+00 -0.1840
25 Ca(HSiO3)+ 0.15606E-09 -9.8067 0.10207E-09 -9.9911 0.65406E+00 -0.1844
26 Mg(HSiO3)+ 0.16858E-10 -10.7732 0.11026E-10 -10.9576 0.65406E+00 -0.1844
27 NaHSiO3,aq 0.32759E-06 -6.4847 0.32759E-06 -6.4847 0.10000E+01 0.0000
32 AgCl2- 0.15558E-09 -9.8081 0.10186E-09 -9.9920 0.65469E+00 -0.1840
33 AgCl3-2 0.33889E-10 -10.4699 0.59849E-11 -11.2229 0.17660E+00 -0.7530
38 Ag(HS),aq 0.14722E-08 -8.8320 0.14722E-08 -8.8320 0.10000E+01 0.0000
40 AlO+ 0.10056E-09 -9.9976 0.65771E-10 -10.1820 0.65406E+00 -0.1844
41 AlOH+2 0.57892E-10 -10.2374 0.98524E-11 -11.0065 0.17019E+00 -0.7691
42 HAlO2,aq 0.50446E-09 -9.2972 0.50446E-09 -9.2972 0.10000E+01 0.0000
43 AlO2- 0.75665E-10 -10.1211 0.49850E-10 -10.3023 0.65882E+00 -0.1812
44 AsO2- 0.79684E-08 -8.0986 0.52168E-08 -8.2826 0.65469E+00 -0.1840
45 HAsO2,aq 0.18219E-04 -4.7395 0.18219E-04 -4.7395 0.10000E+01 0.0000
46 H3AsO3,aq 0.23551E-04 -4.6280 0.23551E-04 -4.6280 0.10000E+01 0.0000
62 BaCO3,aq 0.18116E-10 -10.7419 0.18116E-10 -10.7419 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.60141E-07 -7.2208 0.39476E-07 -7.4037 0.65639E+00 -0.1828
64 BaCl+ 0.91047E-07 -7.0407 0.59550E-07 -7.2251 0.65406E+00 -0.1844
65 BaF+ 0.14943E-09 -9.8256 0.97734E-10 -10.0100 0.65406E+00 -0.1844
66 CH4,aq 0.26662E-10 -10.5741 0.24640E-10 -10.6084 0.92415E+00 -0.0343
72 CO2,aq 0.10417E+00 -0.9822 0.96272E-01 -1.0165 0.92415E+00 -0.0343
73 CO3-2 0.30610E-06 -6.5141 0.54058E-07 -7.2671 0.17660E+00 -0.7530
74 CaCO3,aq 0.39541E-07 -7.4030 0.39541E-07 -7.4030 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.15891E-04 -4.7988 0.10394E-04 -4.9832 0.65406E+00 -0.1844
76 CaCl+ 0.52495E-04 -4.2799 0.34335E-04 -4.4643 0.65406E+00 -0.1844
77 CaCl2,aq 0.22489E-05 -5.6480 0.22489E-05 -5.6480 0.10000E+01 0.0000
78 CaF+ 0.49227E-06 -6.3078 0.32197E-06 -6.4922 0.65406E+00 -0.1844
79 CaOH+ 0.21849E-09 -9.6606 0.14291E-09 -9.8449 0.65406E+00 -0.1844
80 CaSO4,aq 0.23593E-06 -6.6272 0.23593E-06 -6.6272 0.10000E+01 0.0000
81 HCl,aq 0.10089E-05 -5.9961 0.10089E-05 -5.9961 0.10000E+01 0.0000
90 CuCl,aq 0.24982E-10 -10.6024 0.24982E-10 -10.6024 0.10000E+01 0.0000
91 CuCl2- 0.19492E-09 -9.7101 0.12761E-09 -9.8941 0.65469E+00 -0.1840
92 CuCl3-2 0.15824E-10 -10.8007 0.27945E-11 -11.5537 0.17660E+00 -0.7530
98 HF,aq 0.17969E-04 -4.7455 0.17969E-04 -4.7455 0.10000E+01 0.0000
99 HF2- 0.24772E-08 -8.6060 0.16218E-08 -8.7900 0.65469E+00 -0.1840
101 FeCl+ 0.41044E-07 -7.3867 0.26846E-07 -7.5711 0.65406E+00 -0.1844
104 FeF+ 0.14351E-08 -8.8431 0.93862E-09 -9.0275 0.65406E+00 -0.1844
107 FeOH+ 0.14056E-09 -9.8521 0.91936E-10 -10.0365 0.65406E+00 -0.1844
113 H2,aq 0.58429E-09 -9.2334 0.53998E-09 -9.2676 0.92415E+00 -0.0343
114 KCl,aq 0.30512E-04 -4.5155 0.30512E-04 -4.5155 0.10000E+01 0.0000
116 KOH,aq 0.14364E-09 -9.8427 0.14364E-09 -9.8427 0.10000E+01 0.0000
117 KSO4- 0.18454E-05 -5.7339 0.12082E-05 -5.9179 0.65469E+00 -0.1840
118 MgCO3,aq 0.87187E-09 -9.0595 0.87187E-09 -9.0595 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.13040E-05 -5.8847 0.85290E-06 -6.0691 0.65406E+00 -0.1844
120 MgCl+ 0.42266E-05 -5.3740 0.27644E-05 -5.5584 0.65406E+00 -0.1844
121 MgF+ 0.15322E-06 -6.8147 0.10021E-06 -6.9991 0.65406E+00 -0.1844
122 MgOH+ 0.11270E-09 -9.9481 0.73715E-10 -10.1324 0.65406E+00 -0.1844
124 MnF+ 0.85732E-08 -8.0669 0.56074E-08 -8.2512 0.65406E+00 -0.1844
126 MnOH+ 0.22465E-09 -9.6485 0.14693E-09 -9.8329 0.65406E+00 -0.1844
131 MnCl+ 0.23386E-05 -5.6310 0.15296E-05 -5.8154 0.65406E+00 -0.1844
132 MnSO4,aq 0.29588E-08 -8.5289 0.29588E-08 -8.5289 0.10000E+01 0.0000
133 NaCl,aq 0.23423E-01 -1.6304 0.23423E-01 -1.6304 0.10000E+01 0.0000
134 NaF,aq 0.16429E-04 -4.7844 0.16429E-04 -4.7844 0.10000E+01 0.0000
135 NaOH,aq 0.51740E-08 -8.2862 0.51740E-08 -8.2862 0.10000E+01 0.0000
137 OH- 0.41522E-07 -7.3817 0.27356E-07 -7.5630 0.65882E+00 -0.1812
140 PbCl+ 0.28241E-08 -8.5491 0.18471E-08 -8.7335 0.65406E+00 -0.1844
141 PbCl2,aq 0.26801E-08 -8.5718 0.26801E-08 -8.5718 0.10000E+01 0.0000
142 PbCl3- 0.55019E-09 -9.2595 0.36021E-09 -9.4434 0.65469E+00 -0.1840
143 PbCl4-2 0.18137E-09 -9.7414 0.32030E-10 -10.4944 0.17660E+00 -0.7530
150 H2S,aq 0.18424E-05 -5.7346 0.17026E-05 -5.7689 0.92415E+00 -0.0343
159 HSO4- 0.97599E-07 -7.0106 0.64243E-07 -7.1922 0.65823E+00 -0.1816
173 ZnCl+ 0.27016E-06 -6.5684 0.17670E-06 -6.7528 0.65406E+00 -0.1844
174 ZnCl2,aq 0.31722E-07 -7.4986 0.31722E-07 -7.4986 0.10000E+01 0.0000
175 ZnCl3- 0.26334E-08 -8.5795 0.17241E-08 -8.7634 0.65469E+00 -0.1840
176 ZnF+ 0.17515E-09 -9.7566 0.11456E-09 -9.9410 0.65406E+00 -0.1844
178 ZnOH+ 0.31510E-08 -8.5015 0.20610E-08 -8.6859 0.65406E+00 -0.1844
Charge balance for all species = -.4178E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2218688E-04 0.1042573E+00 0.1015548E+03 0.0000
2 H2O 0.1000000E+01 0.5540406E+02 0.9645893E+06 0.0000
3 Cl- 0.4746113E+00 0.4981300E+00 0.1706692E+05 4.3152
4 SO4-- 0.5862113E-04 0.6080288E-04 0.5644602E+01 4.6637
5 HCO3- 0.8601760E-02 0.1127926E+00 0.6651079E+04 2.5742
6 HS- 0.6551379E-07 0.1909526E-05 0.6103028E-01 -2.5448
7 H4SiO4 0.8203854E-03 0.8208071E-03 0.7624185E+02 -3.0860
8 Al+++ 0.3772659E-10 0.7763017E-09 0.2024212E-04 2.3459
9 Ca++ 0.6071748E-03 0.6785784E-03 0.2628242E+02 5.6620
10 Mg++ 0.4968274E-04 0.5536754E-04 0.1300874E+01 4.5702
11 Fe++ 0.4632524E-06 0.5058724E-06 0.2730236E-01 2.5407
12 K+ 0.1461955E-01 0.1465191E-01 0.5536719E+03 2.8031
13 Na+ 0.4677273E+00 0.4911671E+00 0.1091249E+05 4.3064
14 Mn++ 0.8762709E-05 0.1111304E-04 0.5900177E+00 3.8183
15 Zn++ 0.9426703E-07 0.4021051E-06 0.2540256E-01 1.8492
16 Cu+ 0.1966440E-13 0.2357453E-09 0.1447603E-04 -9.0699
17 Pb++ 0.7781019E-09 0.7024133E-08 0.1406439E-02 -0.2261
18 Ag+ 0.4690863E-13 0.1669880E-08 0.1740786E-03 -8.6910
19 Au+ 0.7654992E-25 0.3413446E-12 0.6497493E-07 -20.4776
20 Ba++ 0.1158726E-05 0.1310081E-05 0.1738820E+00 2.9500
21 F- 0.4896939E-03 0.5247530E-03 0.9634344E+01 1.3328
22 H2AsO3- 0.9471367E-08 0.4178697E-04 0.5045297E+01 -3.3558
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234480E+00 -.1288205E-04 0.0000000E+00
2 H2O 0.1718852E+03 0.1718857E+03 -.5281452E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4235208E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5924119E-05 0.8106192E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2546474E-02 0.2652666E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2408401E-08 0.2404871E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569420E-05 0.3388515E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1247492E-05 0.6220684E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.7313769E-09 0.1694257E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.2179169E-07 0.1543229E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.5180641E-08 0.4219475E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.1058988E-11 0.2051972E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404871E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.2541E-20 Mass of aqueous solution: 0.321025E+04 g
Temperature = 83.35 C Pressure = 500.00 bar Mixer frac. = 2.1000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2641E-03 -3.578 0.1586E-01 -1.800 92.61 0.5991E-02
argentite 0.2110E-06 -6.676 0.5228E-04 -4.282 0.3052 0.7342E-05
bornite 0.3389E-07 -7.470 0.1700E-04 -4.769 0.9926E-01 0.3345E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.292 0.6195E-04
galena 0.1543E-05 -5.812 0.3692E-03 -3.433 2.155 0.4859E-04
gold,native 0.2052E-11 -11.688 0.4042E-09 -9.393 0.2359E-05 0.2096E-10
silver,native 0.1433E-11 -11.844 0.1545E-09 -9.811 0.9021E-06 0.1472E-10
sphalerite 0.6221E-05 -5.206 0.6061E-03 -3.217 3.538 0.1482E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.5889E+00 0.2605E+00 0.4424 -0.584
silver,native 0.4111E+00 0.5215E-01 0.1269 -1.283
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.1000000
Solid products produced: Mass = 0.017131 g Volume = 0.006261 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 83.3495 deg.C
Sat. pressure: 18.2378 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.4296E-01 0.8990 0.7044E+00 0.7836E+00
CO2,gas 0.9570E+00 0.9405 0.1642E+02 0.1745E+02
CH4,gas 0.3805E-08 1.0138 0.7036E-07 0.6940E-07
H2,gas 0.6172E-07 1.0102 0.1137E-05 0.1126E-05
H2S,gas 0.4115E-05 0.9241 0.6935E-04 0.7505E-04
S2,gas 0.5912E-18 1.0000 0.1078E-16 0.1078E-16
CO,gas 0.2112E-09 1.0000 0.3851E-08 0.3851E-08
SO3,gas 0.1092E-32 1.0000 0.1991E-31 0.1991E-31
O2,gas 0.1365E-55 1.0000 0.2490E-54 0.2490E-54
SO2,gas 0.5961E-15 1.0000 0.1087E-13 0.1087E-13
HF,gas 0.1500E-08 1.0000 0.2736E-07 0.2736E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.07 -3.07 0.00 0.000 0.00000E+00
197 argentite -29.57 -29.57 0.00 0.000 0.00000E+00
206 bornite -91.87 -91.87 0.00 0.000 0.23182E-10
226 topaz -15.02 -15.02 0.00 0.000 0.00000E+00
261 galena -12.42 -12.42 0.00 0.000 0.57955E-11
262 gold,native -19.59 -19.59 0.00 0.000 0.00000E+00
263 silver,native -7.11 -7.11 0.00 0.000 0.14489E-11
273 sphalerite -10.34 -10.34 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.84 -0.01 -2.85 -2.851 0.46510E+04 -0.152
2 CO2,gas -5.58 -7.06 -1.48 -0.495 0.24204E+04 1.215
3 CH4,gas 5.21 -4.64 -9.85 -2.463 0.16071E+05 -7.153
4 H2,gas 9.25 0.60 -8.64 -4.939 0.14099E+05 -5.944
5 H2S,gas -5.33 -12.19 -6.86 -3.429 0.11187E+05 -4.159
6 S2,gas -5.92 -25.59 -19.67 -3.026 0.32081E+05 -16.967
7 CO,gas 4.66 -6.46 -11.11 -3.419 0.18129E+05 -8.414
8 SO3,gas 19.78 -14.62 -34.40 -8.600 0.56116E+05 -31.701
9 O2,gas 56.08 -1.22 -57.30 -38.202 0.93477E+05 -54.604
10 SO2,gas 2.65 -14.01 -16.66 -4.443 0.27182E+05 -13.964
11 HF,gas 1.95 -8.31 -10.26 -5.131 0.16740E+05 -7.563
12 HCl,gas 3.92 -5.33 -9.26 -4.628 0.15098E+05 -9.255
17 albite-high 1.72 -2.58 -4.30 -0.331 0.70122E+04
18 albite 0.55 -2.58 -3.13 -0.241 0.51014E+04
22 analcite 4.36 0.49 -3.87 -0.430 0.63092E+04
26 anhydrite -4.73 -8.97 -4.24 -2.119 0.69129E+04
27 ankerite -1.37 -5.94 -4.57 -0.761 0.74516E+04
34 aragonite 1.36 -1.41 -2.77 -0.924 0.45228E+04
36 calcite 1.23 -1.41 -2.64 -0.878 0.42990E+04
53 coesite -2.45 -3.07 -0.63 -0.208 0.10197E+04
60 cristobalite -2.57 -3.07 -0.50 -0.166 0.81177E+03
65 diaspore 3.74 2.33 -1.40 -0.234 0.22912E+04
66 diamond -3.39 -5.85 -2.46 -0.702 0.40060E+04
83 gibbsite 4.91 2.32 -2.58 -0.369 0.42125E+04
86 goethite 6.98 2.23 -4.76 -1.029 0.77618E+04
87 graphite -3.83 -5.85 -2.01 -0.575 0.32834E+04
90 halite 1.66 -1.02 -2.68 -1.341 0.43738E+04
96 jadeite 5.11 0.49 -4.62 -0.462 0.75344E+04
99 kaolinite 0.11 -1.49 -1.60 -0.145 0.26036E+04
107 magnesite 1.19 -2.50 -3.69 -1.231 0.60236E+04
117 microcline -1.73 -4.08 -2.35 -0.181 0.38333E+04
121 muscovite 5.03 0.58 -4.45 -0.262 0.72602E+04
122 paragonite 6.83 2.09 -4.74 -0.279 0.77306E+04
143 pyrite -21.62 -22.44 -0.82 -0.193 0.13356E+04
145 pyrrhotiteFe0.875 -5.86 -10.04 -4.18 -1.538 0.68239E+04
147 pyrophyllite -4.75 -7.62 -2.87 -0.179 0.46845E+04
153 rhodochrosite -0.65 -3.25 -2.60 -0.867 0.42429E+04
155 sanidine -0.46 -4.08 -3.62 -0.278 0.58990E+04
157 siderite -2.25 -4.53 -2.28 -0.761 0.37231E+04
171 sulfur -9.26 -12.79 -3.53 -1.088 0.57664E+04
172 sylvite 1.35 -2.53 -3.88 -1.940 0.63301E+04
180 topaz-H 6.29 1.59 -4.70 -0.428 0.76721E+04
181 tridymite -2.65 -3.07 -0.42 -0.141 0.69198E+03
198 arsenic -7.63 -12.08 -4.45 -1.149 0.72606E+04
205 beidellite-Na 0.54 -4.42 -4.96 -0.303 0.80835E+04
208 chalcedony -2.88 -3.07 -0.20 -0.065 0.32008E+03
209 chalcocite -29.08 -30.33 -1.25 -0.313 0.20454E+04
211 covellite -20.66 -21.56 -0.90 -0.342 0.14629E+04
212 dawsonite 2.45 -0.43 -2.88 -0.360 0.46970E+04
217 montmorillonite-Na -0.59 -5.47 -4.88 -0.299 0.79599E+04
230 gypsum -4.56 -8.98 -4.42 -1.106 0.72166E+04
246 acanthite -29.50 -29.57 -0.07 -0.017 0.11259E+03
252 barite -9.18 -11.68 -2.50 -1.250 0.40789E+04
253 boehmite 5.39 2.33 -3.06 -0.510 0.49873E+04
254 cerussite -2.71 -7.30 -4.59 -1.529 0.74815E+04
255 chalcopyrite -29.26 -31.21 -1.95 -0.363 0.31785E+04
260 fluorite -9.58 -10.96 -1.39 -0.462 0.22632E+04
270 silica-amorphous -2.07 -3.07 -1.00 -0.335 0.16381E+04
271 smithsonite -0.31 -5.22 -4.91 -1.636 0.80055E+04
274 wurtzite -8.42 -10.34 -1.92 -0.640 0.31343E+04
276 an20ab80 3.30 -1.23 -4.53 -0.348 0.73846E+04
277 an25ab75 4.02 -0.89 -4.90 -0.377 0.80005E+04
Calculations done for 83.3495 Deg. C; 500.0000 bar
Mixer fraction: 2.1000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 83.350 .56132E+00 1.672
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.1736E+03
New heat: 1.640 New temperature: 81.550
New mixer fraction: 2.2000000
Resulting temperature: 81.550Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 81.55 C Pressure = 500.00 bar Mixer fraction = 2.2000000
Water: Moles liquid = 0.1778E+03 kg liquid = 0.3202E+01
Moles total = 0.1774E+03 kg total = 0.3197E+01 Activity = 0.9840
Stoichiometric ionic strength = .5437646E+00 Osmotic coef. = 0.9270
True ionic strength = .4702667E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22288E-04 -4.6519 0.15170E-04 -4.8190 0.68064E+00 -0.1671
2 H2O 0.98401E+00 -0.0070 0.98401E+00 -0.0070
3 Cl- 0.46065E+00 -0.3366 0.30267E+00 -0.5190 0.65703E+00 -0.1824
4 SO4-- 0.56849E-04 -4.2453 0.10325E-04 -4.9861 0.18162E+00 -0.7408
5 HCO3- 0.83341E-02 -2.0791 0.54835E-02 -2.2609 0.65796E+00 -0.1818
6 HS- 0.61370E-07 -7.2120 0.40321E-07 -7.3945 0.65702E+00 -0.1824
7 H4SiO4 0.79177E-03 -3.1014 0.79177E-03 -3.1014 0.10000E+01 0.0000
8 Al+++ 0.42654E-10 -10.3700 0.89582E-12 -12.0478 0.21002E-01 -1.6777
9 Ca++ 0.59056E-03 -3.2287 0.10323E-03 -3.9862 0.17480E+00 -0.7575
10 Mg++ 0.48278E-04 -4.3162 0.83537E-05 -5.0781 0.17303E+00 -0.7619
11 Fe++ 0.44995E-06 -6.3468 0.78000E-07 -7.1079 0.17335E+00 -0.7611
12 K+ 0.14165E-01 -1.8488 0.92898E-02 -2.0320 0.65583E+00 -0.1832
13 Na+ 0.45398E+00 -0.3430 0.29659E+00 -0.5279 0.65330E+00 -0.1849
14 Mn++ 0.85934E-05 -5.0658 0.14922E-05 -5.8262 0.17364E+00 -0.7603
15 Zn++ 0.94480E-07 -7.0247 0.16378E-07 -7.7857 0.17335E+00 -0.7611
16 Cu+ 0.16954E-13 -13.7707 0.11076E-13 -13.9556 0.65327E+00 -0.1849
17 Pb++ 0.72120E-09 -9.1419 0.12724E-09 -9.8954 0.17643E+00 -0.7534
18 Ag+ 0.40140E-13 -13.3964 0.26298E-13 -13.5801 0.65515E+00 -0.1837
19 Au+ 0.58377E-25 -25.2338 0.38310E-25 -25.4167 0.65625E+00 -0.1829
20 Ba++ 0.11295E-05 -5.9471 0.20068E-06 -6.6975 0.17767E+00 -0.7504
21 F- 0.47547E-03 -3.3229 0.31532E-03 -3.5012 0.66318E+00 -0.1784
22 H2AsO3- 0.85780E-08 -8.0666 0.60126E-08 -8.2209 0.70093E+00 -0.1543
24 HSiO3- 0.86872E-07 -7.0611 0.57078E-07 -7.2435 0.65703E+00 -0.1824
25 Ca(HSiO3)+ 0.14002E-09 -9.8538 0.91889E-10 -10.0367 0.65625E+00 -0.1829
26 Mg(HSiO3)+ 0.15245E-10 -10.8169 0.10005E-10 -10.9998 0.65625E+00 -0.1829
27 NaHSiO3,aq 0.30391E-06 -6.5173 0.30391E-06 -6.5173 0.10000E+01 0.0000
32 AgCl2- 0.12969E-09 -9.8871 0.85208E-10 -10.0695 0.65703E+00 -0.1824
33 AgCl3-2 0.27603E-10 -10.5590 0.49802E-11 -11.3028 0.18043E+00 -0.7437
38 Ag(HS),aq 0.14008E-08 -8.8536 0.14008E-08 -8.8536 0.10000E+01 0.0000
40 AlO+ 0.98835E-10 -10.0051 0.64861E-10 -10.1880 0.65625E+00 -0.1829
41 AlOH+2 0.60712E-10 -10.2167 0.10566E-10 -10.9761 0.17403E+00 -0.7594
42 HAlO2,aq 0.46004E-09 -9.3372 0.46004E-09 -9.3372 0.10000E+01 0.0000
43 AlO2- 0.64762E-10 -10.1887 0.42829E-10 -10.3683 0.66133E+00 -0.1796
44 AsO2- 0.74109E-08 -8.1301 0.48692E-08 -8.3125 0.65703E+00 -0.1824
45 HAsO2,aq 0.17774E-04 -4.7502 0.17774E-04 -4.7502 0.10000E+01 0.0000
46 H3AsO3,aq 0.22692E-04 -4.6441 0.22692E-04 -4.6441 0.10000E+01 0.0000
62 BaCO3,aq 0.16577E-10 -10.7805 0.16577E-10 -10.7805 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.54889E-07 -7.2605 0.36145E-07 -7.4420 0.65850E+00 -0.1814
64 BaCl+ 0.84620E-07 -7.0725 0.55532E-07 -7.2555 0.65625E+00 -0.1829
65 BaF+ 0.13995E-09 -9.8540 0.91843E-10 -10.0370 0.65625E+00 -0.1829
66 CH4,aq 0.24744E-10 -10.6065 0.22900E-10 -10.6402 0.92549E+00 -0.0336
72 CO2,aq 0.10092E+00 -0.9960 0.93400E-01 -1.0297 0.92549E+00 -0.0336
73 CO3-2 0.28770E-06 -6.5411 0.51908E-07 -7.2848 0.18043E+00 -0.7437
74 CaCO3,aq 0.36193E-07 -7.4414 0.36193E-07 -7.4414 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.14914E-04 -4.8264 0.97876E-05 -5.0093 0.65625E+00 -0.1829
76 CaCl+ 0.49114E-04 -4.3088 0.32231E-04 -4.4917 0.65625E+00 -0.1829
77 CaCl2,aq 0.20729E-05 -5.6834 0.20729E-05 -5.6834 0.10000E+01 0.0000
78 CaF+ 0.46090E-06 -6.3364 0.30247E-06 -6.5193 0.65625E+00 -0.1829
79 CaOH+ 0.18850E-09 -9.7247 0.12370E-09 -9.9076 0.65625E+00 -0.1829
80 CaSO4,aq 0.22690E-06 -6.6442 0.22690E-06 -6.6442 0.10000E+01 0.0000
81 HCl,aq 0.98820E-06 -6.0052 0.98820E-06 -6.0052 0.10000E+01 0.0000
90 CuCl,aq 0.21348E-10 -10.6706 0.21348E-10 -10.6706 0.10000E+01 0.0000
91 CuCl2- 0.16182E-09 -9.7910 0.10632E-09 -9.9734 0.65703E+00 -0.1824
92 CuCl3-2 0.12814E-10 -10.8923 0.23120E-11 -11.6360 0.18043E+00 -0.7437
98 HF,aq 0.17001E-04 -4.7695 0.17001E-04 -4.7695 0.10000E+01 0.0000
99 HF2- 0.22644E-08 -8.6450 0.14878E-08 -8.8275 0.65703E+00 -0.1824
101 FeCl+ 0.38635E-07 -7.4130 0.25354E-07 -7.5960 0.65625E+00 -0.1829
104 FeF+ 0.13577E-08 -8.8672 0.89098E-09 -9.0501 0.65625E+00 -0.1829
107 FeOH+ 0.12645E-09 -9.8981 0.82982E-10 -10.0810 0.65625E+00 -0.1829
113 H2,aq 0.51753E-09 -9.2861 0.47897E-09 -9.3197 0.92549E+00 -0.0336
114 KCl,aq 0.27713E-04 -4.5573 0.27713E-04 -4.5573 0.10000E+01 0.0000
116 KOH,aq 0.12602E-09 -9.8996 0.12602E-09 -9.8996 0.10000E+01 0.0000
117 KSO4- 0.17345E-05 -5.7608 0.11396E-05 -5.9433 0.65703E+00 -0.1824
118 MgCO3,aq 0.80832E-09 -9.0924 0.80832E-09 -9.0924 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.12230E-05 -5.9126 0.80259E-06 -6.0955 0.65625E+00 -0.1829
120 MgCl+ 0.39922E-05 -5.3988 0.26199E-05 -5.5817 0.65625E+00 -0.1829
121 MgF+ 0.14410E-06 -6.8413 0.94567E-07 -7.0243 0.65625E+00 -0.1829
122 MgOH+ 0.98912E-10 -10.0048 0.64911E-10 -10.1877 0.65625E+00 -0.1829
124 MnF+ 0.81573E-08 -8.0885 0.53533E-08 -8.2714 0.65625E+00 -0.1829
126 MnOH+ 0.20158E-09 -9.6955 0.13229E-09 -9.8785 0.65625E+00 -0.1829
131 MnCl+ 0.21614E-05 -5.6653 0.14184E-05 -5.8482 0.65625E+00 -0.1829
132 MnSO4,aq 0.28505E-08 -8.5451 0.28505E-08 -8.5451 0.10000E+01 0.0000
133 NaCl,aq 0.21832E-01 -1.6609 0.21832E-01 -1.6609 0.10000E+01 0.0000
134 NaF,aq 0.15275E-04 -4.8160 0.15275E-04 -4.8160 0.10000E+01 0.0000
135 NaOH,aq 0.45966E-08 -8.3376 0.45966E-08 -8.3376 0.10000E+01 0.0000
137 OH- 0.37958E-07 -7.4207 0.25103E-07 -7.6003 0.66133E+00 -0.1796
140 PbCl+ 0.25373E-08 -8.5956 0.16651E-08 -8.7786 0.65625E+00 -0.1829
141 PbCl2,aq 0.23176E-08 -8.6350 0.23176E-08 -8.6350 0.10000E+01 0.0000
142 PbCl3- 0.45917E-09 -9.3380 0.30169E-09 -9.5204 0.65703E+00 -0.1824
143 PbCl4-2 0.14604E-09 -9.8355 0.26348E-10 -10.5792 0.18043E+00 -0.7437
150 H2S,aq 0.17700E-05 -5.7520 0.16381E-05 -5.7857 0.92549E+00 -0.0336
159 HSO4- 0.91651E-07 -7.0379 0.60521E-07 -7.2181 0.66034E+00 -0.1802
173 ZnCl+ 0.24517E-06 -6.6105 0.16090E-06 -6.7935 0.65625E+00 -0.1829
174 ZnCl2,aq 0.28307E-07 -7.5481 0.28307E-07 -7.5481 0.10000E+01 0.0000
175 ZnCl3- 0.23219E-08 -8.6341 0.15256E-08 -8.8166 0.65703E+00 -0.1824
176 ZnF+ 0.17051E-09 -9.7683 0.11190E-09 -9.9512 0.65625E+00 -0.1829
178 ZnOH+ 0.28124E-08 -8.5509 0.18456E-08 -8.7339 0.65625E+00 -0.1829
Charge balance for all species = -.4047E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2228768E-04 0.1010017E+00 0.9848693E+02 0.0000
2 H2O 0.1000000E+01 0.5540731E+02 0.9656593E+06 0.0000
3 Cl- 0.4606548E+00 0.4825751E+00 0.1655134E+05 4.3000
4 SO4-- 0.5684850E-04 0.5890421E-04 0.5474084E+01 4.6519
5 HCO3- 0.8334086E-02 0.1092704E+00 0.6450157E+04 2.5581
6 HS- 0.6137003E-07 0.1832947E-05 0.5864429E-01 -2.5754
7 H4SiO4 0.7917712E-03 0.7921621E-03 0.7365842E+02 -3.1014
8 Al+++ 0.4265364E-10 0.7269984E-09 0.1897644E-04 2.4093
9 Ca++ 0.5905633E-03 0.6573886E-03 0.2548846E+02 5.6518
10 Mg++ 0.4827843E-04 0.5363860E-04 0.1261576E+01 4.5599
11 Fe++ 0.4499504E-06 0.4900692E-06 0.2647723E-01 2.5301
12 K+ 0.1416493E-01 0.1419438E-01 0.5369460E+03 2.7870
13 Na+ 0.4539823E+00 0.4758296E+00 0.1058283E+05 4.2912
14 Mn++ 0.8593436E-05 0.1076602E-04 0.5721938E+00 3.8119
15 Zn++ 0.9447971E-07 0.3732636E-06 0.2360529E-01 1.8523
16 Cu+ 0.1695434E-13 0.1960014E-09 0.1204819E-04 -9.1366
17 Pb++ 0.7211958E-09 0.6190569E-08 0.1240837E-02 -0.2573
18 Ag+ 0.4013995E-13 0.1565077E-08 0.1633247E-03 -8.7611
19 Au+ 0.5837748E-25 0.3089189E-12 0.5886448E-07 -20.5977
20 Ba++ 0.1129506E-05 0.1269172E-05 0.1686292E+00 2.9405
21 F- 0.4754716E-03 0.5083667E-03 0.9343300E+01 1.3178
22 H2AsO3- 0.8577977E-08 0.4048210E-04 0.4892884E+01 -3.4019
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234481E+00 -.1293647E-04 0.0000000E+00
2 H2O 0.1774360E+03 0.1774366E+03 -.5474488E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4237788E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5869836E-05 0.8160475E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2536823E-02 0.2749184E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2328142E-08 0.2404951E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569399E-05 0.3390589E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1195340E-05 0.6272836E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.6276754E-09 0.1695295E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1982470E-07 0.1545196E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.5012009E-08 0.4221161E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.9892829E-12 0.2121678E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404951E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.4235E-21 Mass of aqueous solution: 0.331025E+04 g
Temperature = 81.55 C Pressure = 500.00 bar Mixer frac. = 2.2000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2737E-03 -3.563 0.1644E-01 -1.784 92.82 0.6210E-02
argentite 0.2111E-06 -6.676 0.5230E-04 -4.281 0.2952 0.7344E-05
bornite 0.3391E-07 -7.470 0.1701E-04 -4.769 0.9604E-01 0.3347E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.249 0.6196E-04
galena 0.1545E-05 -5.811 0.3697E-03 -3.432 2.087 0.4866E-04
gold,native 0.2122E-11 -11.673 0.4179E-09 -9.379 0.2359E-05 0.2167E-10
silver,native 0.1465E-11 -11.834 0.1581E-09 -9.801 0.8922E-06 0.1505E-10
sphalerite 0.6273E-05 -5.203 0.6112E-03 -3.214 3.450 0.1495E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.5915E+00 0.2635E+00 0.4454 -0.579
silver,native 0.4085E+00 0.5038E-01 0.1233 -1.298
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.2000000
Solid products produced: Mass = 0.017716 g Volume = 0.006481 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 81.5497 deg.C
Sat. pressure: 17.2949 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.4203E-01 0.9036 0.6569E+00 0.7270E+00
CO2,gas 0.9580E+00 0.9424 0.1561E+02 0.1657E+02
CH4,gas 0.3721E-08 1.0130 0.6519E-07 0.6435E-07
H2,gas 0.5813E-07 1.0097 0.1015E-05 0.1005E-05
H2S,gas 0.4091E-05 0.9269 0.6559E-04 0.7076E-04
S2,gas 0.5221E-18 1.0000 0.9029E-17 0.9029E-17
CO,gas 0.1890E-09 1.0000 0.3269E-08 0.3269E-08
SO3,gas 0.7596E-33 1.0000 0.1314E-31 0.1314E-31
O2,gas 0.6830E-56 1.0000 0.1181E-54 0.1181E-54
SO2,gas 0.5078E-15 1.0000 0.8782E-14 0.8782E-14
HF,gas 0.1383E-08 1.0000 0.2392E-07 0.2392E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.09 -3.09 0.00 0.000 0.00000E+00
197 argentite -29.74 -29.74 0.00 0.000 0.00000E+00
206 bornite -92.30 -92.30 0.00 0.000 -0.23065E-10
226 topaz -14.92 -14.92 0.00 0.000 0.00000E+00
261 galena -12.47 -12.47 0.00 0.000 0.00000E+00
262 gold,native -19.72 -19.72 0.00 0.000 -0.57662E-11
263 silver,native -7.17 -7.17 0.00 0.000 -0.14416E-11
273 sphalerite -10.36 -10.36 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.87 -0.01 -2.88 -2.881 0.46768E+04 -0.183
2 CO2,gas -5.57 -7.07 -1.51 -0.502 0.24435E+04 1.193
3 CH4,gas 5.21 -4.68 -9.88 -2.471 0.16043E+05 -7.186
4 H2,gas 9.29 0.60 -8.69 -4.967 0.14108E+05 -5.994
5 H2S,gas -5.33 -12.21 -6.88 -3.441 0.11170E+05 -4.183
6 S2,gas -5.87 -25.62 -19.74 -3.037 0.32044E+05 -17.044
7 CO,gas 4.71 -6.47 -11.18 -3.441 0.18153E+05 -8.486
8 SO3,gas 19.96 -14.62 -34.58 -8.645 0.56126E+05 -31.881
9 O2,gas 56.42 -1.21 -57.63 -38.418 0.93531E+05 -54.928
10 SO2,gas 2.74 -14.01 -16.76 -4.468 0.27195E+05 -14.056
11 HF,gas 2.00 -8.32 -10.32 -5.160 0.16750E+05 -7.621
12 HCl,gas 3.99 -5.34 -9.32 -4.662 0.15133E+05 -9.324
17 albite-high 1.79 -2.58 -4.36 -0.336 0.70843E+04
18 albite 0.61 -2.58 -3.18 -0.245 0.51661E+04
22 analcite 4.43 0.50 -3.92 -0.436 0.63701E+04
26 anhydrite -4.70 -8.97 -4.27 -2.137 0.69362E+04
27 ankerite -1.33 -5.98 -4.65 -0.775 0.75480E+04
34 aragonite 1.39 -1.43 -2.82 -0.939 0.45714E+04
36 calcite 1.25 -1.43 -2.68 -0.893 0.43488E+04
53 coesite -2.46 -3.09 -0.63 -0.209 0.10190E+04
60 cristobalite -2.59 -3.09 -0.50 -0.167 0.81497E+03
65 diaspore 3.81 2.40 -1.42 -0.236 0.23017E+04
66 diamond -3.42 -5.87 -2.45 -0.700 0.39745E+04
83 gibbsite 4.98 2.39 -2.60 -0.371 0.42129E+04
86 goethite 7.04 2.22 -4.82 -1.042 0.78202E+04
87 graphite -3.86 -5.87 -2.00 -0.573 0.32535E+04
90 halite 1.66 -1.05 -2.71 -1.353 0.43918E+04
96 jadeite 5.19 0.51 -4.67 -0.467 0.75853E+04
99 kaolinite 0.22 -1.39 -1.61 -0.146 0.26132E+04
107 magnesite 1.23 -2.52 -3.75 -1.250 0.60860E+04
117 microcline -1.69 -4.08 -2.39 -0.184 0.38740E+04
121 muscovite 5.22 0.71 -4.51 -0.266 0.73265E+04
122 paragonite 7.03 2.21 -4.82 -0.283 0.78175E+04
143 pyrite -21.69 -22.49 -0.80 -0.189 0.13028E+04
145 pyrrhotiteFe0.875 -5.86 -10.07 -4.22 -1.551 0.68435E+04
147 pyrophyllite -4.66 -7.56 -2.90 -0.181 0.47083E+04
153 rhodochrosite -0.63 -3.27 -2.64 -0.878 0.42770E+04
155 sanidine -0.42 -4.08 -3.66 -0.282 0.59398E+04
157 siderite -2.23 -4.55 -2.32 -0.774 0.37687E+04
171 sulfur -9.28 -12.81 -3.53 -1.085 0.57234E+04
172 sylvite 1.35 -2.55 -3.90 -1.949 0.63257E+04
180 topaz-H 6.44 1.70 -4.74 -0.431 0.76895E+04
181 tridymite -2.66 -3.09 -0.43 -0.142 0.69361E+03
198 arsenic -7.67 -12.13 -4.46 -1.150 0.72309E+04
208 chalcedony -2.89 -3.09 -0.20 -0.066 0.32012E+03
209 chalcocite -29.23 -30.49 -1.26 -0.314 0.20377E+04
211 covellite -20.76 -21.65 -0.88 -0.337 0.14343E+04
212 dawsonite 2.50 -0.39 -2.90 -0.362 0.46998E+04
217 montmorillonite-Na -0.49 -5.43 -4.94 -0.303 0.80194E+04
230 gypsum -4.54 -8.99 -4.44 -1.111 0.72125E+04
246 acanthite -29.67 -29.74 -0.07 -0.017 0.10852E+03
252 barite -9.18 -11.68 -2.50 -1.252 0.40631E+04
253 boehmite 5.48 2.40 -3.08 -0.514 0.50046E+04
254 cerussite -2.71 -7.34 -4.62 -1.541 0.75026E+04
255 chalcopyrite -29.37 -31.33 -1.96 -0.364 0.31792E+04
260 fluorite -9.57 -10.99 -1.42 -0.472 0.22973E+04
270 silica-amorphous -2.08 -3.09 -1.01 -0.337 0.16426E+04
271 smithsonite -0.29 -5.23 -4.94 -1.647 0.80194E+04
274 wurtzite -8.43 -10.36 -1.93 -0.644 0.31345E+04
276 an20ab80 3.39 -1.21 -4.60 -0.354 0.74648E+04
277 an25ab75 4.12 -0.86 -4.98 -0.383 0.80843E+04
Calculations done for 81.5497 Deg. C; 500.0000 bar
Mixer fraction: 2.2000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 81.550 .54376E+00 1.640
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.1792E+03
New heat: 1.610 New temperature: 79.857
New mixer fraction: 2.3000000
Resulting temperature: 79.857Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 79.86 C Pressure = 500.00 bar Mixer fraction = 2.3000000
Water: Moles liquid = 0.1833E+03 kg liquid = 0.3302E+01
Moles total = 0.1830E+03 kg total = 0.3297E+01 Activity = 0.9845
Stoichiometric ionic strength = .5272697E+00 Osmotic coef. = 0.9267
True ionic strength = .4568054E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22365E-04 -4.6504 0.15284E-04 -4.8158 0.68341E+00 -0.1653
2 H2O 0.98449E+00 -0.0068 0.98449E+00 -0.0068
3 Cl- 0.44748E+00 -0.3492 0.29502E+00 -0.5302 0.65928E+00 -0.1809
4 SO4-- 0.55180E-04 -4.2582 0.10224E-04 -4.9904 0.18529E+00 -0.7321
5 HCO3- 0.80826E-02 -2.0924 0.53353E-02 -2.2728 0.66010E+00 -0.1804
6 HS- 0.57677E-07 -7.2390 0.38024E-07 -7.4199 0.65926E+00 -0.1809
7 H4SiO4 0.76543E-03 -3.1161 0.76543E-03 -3.1161 0.10000E+01 0.0000
8 Al+++ 0.47866E-10 -10.3200 0.10536E-11 -11.9773 0.22011E-01 -1.6574
9 Ca++ 0.57479E-03 -3.2405 0.10260E-03 -3.9889 0.17849E+00 -0.7484
10 Mg++ 0.46950E-04 -4.3284 0.82995E-05 -5.0809 0.17677E+00 -0.7526
11 Fe++ 0.43738E-06 -6.3591 0.77452E-07 -7.1110 0.17708E+00 -0.7518
12 K+ 0.13738E-01 -1.8621 0.90390E-02 -2.0439 0.65797E+00 -0.1818
13 Na+ 0.44101E+00 -0.3556 0.28911E+00 -0.5389 0.65557E+00 -0.1834
14 Mn++ 0.84265E-05 -5.0744 0.14945E-05 -5.8255 0.17736E+00 -0.7511
15 Zn++ 0.94569E-07 -7.0243 0.16746E-07 -7.7761 0.17708E+00 -0.7518
16 Cu+ 0.14717E-13 -13.8322 0.96477E-14 -14.0156 0.65555E+00 -0.1834
17 Pb++ 0.67009E-09 -9.1739 0.12068E-09 -9.9184 0.18010E+00 -0.7445
18 Ag+ 0.34593E-13 -13.4610 0.22739E-13 -13.6432 0.65732E+00 -0.1822
19 Au+ 0.45063E-25 -25.3462 0.29668E-25 -25.5277 0.65838E+00 -0.1815
20 Ba++ 0.11015E-05 -5.9580 0.19973E-06 -6.6996 0.18133E+00 -0.7415
21 F- 0.46204E-03 -3.3353 0.30753E-03 -3.5121 0.66559E+00 -0.1768
22 H2AsO3- 0.78091E-08 -8.1074 0.54837E-08 -8.2609 0.70222E+00 -0.1535
24 HSiO3- 0.80637E-07 -7.0935 0.53163E-07 -7.2744 0.65928E+00 -0.1809
25 Ca(HSiO3)+ 0.12632E-09 -9.8985 0.83169E-10 -10.0800 0.65838E+00 -0.1815
26 Mg(HSiO3)+ 0.13856E-10 -10.8583 0.91227E-11 -11.0399 0.65838E+00 -0.1815
27 NaHSiO3,aq 0.28301E-06 -6.5482 0.28301E-06 -6.5482 0.10000E+01 0.0000
32 AgCl2- 0.10895E-09 -9.9628 0.71829E-10 -10.1437 0.65928E+00 -0.1809
33 AgCl3-2 0.22680E-10 -10.6444 0.41757E-11 -11.3793 0.18412E+00 -0.7349
38 Ag(HS),aq 0.13357E-08 -8.8743 0.13357E-08 -8.8743 0.10000E+01 0.0000
40 AlO+ 0.97222E-10 -10.0122 0.64009E-10 -10.1938 0.65838E+00 -0.1815
41 AlOH+2 0.63495E-10 -10.1973 0.11286E-10 -10.9475 0.17774E+00 -0.7502
42 HAlO2,aq 0.42168E-09 -9.3750 0.42168E-09 -9.3750 0.10000E+01 0.0000
43 AlO2- 0.55961E-10 -10.2521 0.37142E-10 -10.4301 0.66371E+00 -0.1780
44 AsO2- 0.69159E-08 -8.1602 0.45595E-08 -8.3411 0.65928E+00 -0.1809
45 HAsO2,aq 0.17348E-04 -4.7607 0.17348E-04 -4.7607 0.10000E+01 0.0000
46 H3AsO3,aq 0.21893E-04 -4.6597 0.21893E-04 -4.6597 0.10000E+01 0.0000
62 BaCO3,aq 0.15224E-10 -10.8175 0.15224E-10 -10.8175 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.50273E-07 -7.2987 0.33208E-07 -7.4788 0.66056E+00 -0.1801
64 BaCl+ 0.78846E-07 -7.1032 0.51911E-07 -7.2847 0.65838E+00 -0.1815
65 BaF+ 0.13135E-09 -9.8816 0.86477E-10 -10.0631 0.65838E+00 -0.1815
66 CH4,aq 0.23058E-10 -10.6372 0.21370E-10 -10.6702 0.92678E+00 -0.0330
72 CO2,aq 0.97863E-01 -1.0094 0.90698E-01 -1.0424 0.92678E+00 -0.0330
73 CO3-2 0.27119E-06 -6.5667 0.49930E-07 -7.3016 0.18412E+00 -0.7349
74 CaCO3,aq 0.33254E-07 -7.4782 0.33254E-07 -7.4782 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.14031E-04 -4.8529 0.92379E-05 -5.0344 0.65838E+00 -0.1815
76 CaCl+ 0.46060E-04 -4.3367 0.30325E-04 -4.5182 0.65838E+00 -0.1815
77 CaCl2,aq 0.19163E-05 -5.7175 0.19163E-05 -5.7175 0.10000E+01 0.0000
78 CaF+ 0.43256E-06 -6.3640 0.28479E-06 -6.5455 0.65838E+00 -0.1815
79 CaOH+ 0.16381E-09 -9.7857 0.10785E-09 -9.9672 0.65838E+00 -0.1815
80 CaSO4,aq 0.21839E-06 -6.6608 0.21839E-06 -6.6608 0.10000E+01 0.0000
81 HCl,aq 0.96803E-06 -6.0141 0.96803E-06 -6.0141 0.10000E+01 0.0000
90 CuCl,aq 0.18367E-10 -10.7360 0.18367E-10 -10.7360 0.10000E+01 0.0000
91 CuCl2- 0.13537E-09 -9.8685 0.89249E-10 -10.0494 0.65928E+00 -0.1809
92 CuCl3-2 0.10465E-10 -10.9802 0.19268E-11 -11.7152 0.18412E+00 -0.7349
98 HF,aq 0.16111E-04 -4.7929 0.16111E-04 -4.7929 0.10000E+01 0.0000
99 HF2- 0.20750E-08 -8.6830 0.13680E-08 -8.8639 0.65928E+00 -0.1809
101 FeCl+ 0.36444E-07 -7.4384 0.23994E-07 -7.6199 0.65838E+00 -0.1815
104 FeF+ 0.12868E-08 -8.8905 0.84717E-09 -9.0720 0.65838E+00 -0.1815
107 FeOH+ 0.11436E-09 -9.9417 0.75291E-10 -10.1233 0.65838E+00 -0.1815
113 H2,aq 0.46144E-09 -9.3359 0.42766E-09 -9.3689 0.92678E+00 -0.0330
114 KCl,aq 0.25267E-04 -4.5974 0.25267E-04 -4.5974 0.10000E+01 0.0000
116 KOH,aq 0.11128E-09 -9.9536 0.11128E-09 -9.9536 0.10000E+01 0.0000
117 KSO4- 0.16338E-05 -5.7868 0.10771E-05 -5.9677 0.65928E+00 -0.1809
118 MgCO3,aq 0.75173E-09 -9.1239 0.75173E-09 -9.1239 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.11497E-05 -5.9394 0.75697E-06 -6.1209 0.65838E+00 -0.1815
120 MgCl+ 0.37780E-05 -5.4227 0.24874E-05 -5.6043 0.65838E+00 -0.1815
121 MgF+ 0.13582E-06 -6.8670 0.89423E-07 -7.0485 0.65838E+00 -0.1815
122 MgOH+ 0.87388E-10 -10.0586 0.57534E-10 -10.2401 0.65838E+00 -0.1815
124 MnF+ 0.77703E-08 -8.1096 0.51158E-08 -8.2911 0.65838E+00 -0.1815
126 MnOH+ 0.18179E-09 -9.7404 0.11968E-09 -9.9220 0.65838E+00 -0.1815
131 MnCl+ 0.20029E-05 -5.6984 0.13186E-05 -5.8799 0.65838E+00 -0.1815
132 MnSO4,aq 0.27470E-08 -8.5611 0.27470E-08 -8.5611 0.10000E+01 0.0000
133 NaCl,aq 0.20400E-01 -1.6904 0.20400E-01 -1.6904 0.10000E+01 0.0000
134 NaF,aq 0.14239E-04 -4.8465 0.14239E-04 -4.8465 0.10000E+01 0.0000
135 NaOH,aq 0.41074E-08 -8.3864 0.41074E-08 -8.3864 0.10000E+01 0.0000
137 OH- 0.34870E-07 -7.4575 0.23144E-07 -7.6356 0.66371E+00 -0.1780
140 PbCl+ 0.22880E-08 -8.6405 0.15064E-08 -8.8221 0.65838E+00 -0.1815
141 PbCl2,aq 0.20148E-08 -8.6958 0.20148E-08 -8.6958 0.10000E+01 0.0000
142 PbCl3- 0.38573E-09 -9.4137 0.25431E-09 -9.5946 0.65928E+00 -0.1809
143 PbCl4-2 0.11852E-09 -9.9262 0.21822E-10 -10.6611 0.18412E+00 -0.7349
150 H2S,aq 0.17037E-05 -5.7686 0.15789E-05 -5.8016 0.92678E+00 -0.0330
159 HSO4- 0.86247E-07 -7.0643 0.57129E-07 -7.2431 0.66239E+00 -0.1789
173 ZnCl+ 0.22324E-06 -6.6512 0.14698E-06 -6.8327 0.65838E+00 -0.1815
174 ZnCl2,aq 0.25362E-07 -7.5958 0.25362E-07 -7.5958 0.10000E+01 0.0000
175 ZnCl3- 0.20562E-08 -8.6869 0.13556E-08 -8.8679 0.65928E+00 -0.1809
176 ZnF+ 0.16594E-09 -9.7800 0.10925E-09 -9.9616 0.65838E+00 -0.1815
178 ZnOH+ 0.25229E-08 -8.5981 0.16610E-08 -8.7796 0.65838E+00 -0.1815
Charge balance for all species = -.3925E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2236481E-04 0.9794326E-01 0.9559900E+02 0.0000
2 H2O 0.1000000E+01 0.5541037E+02 0.9666665E+06 0.0000
3 Cl- 0.4474803E+00 0.4679622E+00 0.1606601E+05 4.2856
4 SO4-- 0.5517952E-04 0.5712053E-04 0.5313567E+01 4.6412
5 HCO3- 0.8082587E-02 0.1059616E+00 0.6261018E+04 2.5429
6 HS- 0.5767736E-07 0.1762842E-05 0.5645702E-01 -2.6042
7 H4SiO4 0.7654282E-03 0.7657920E-03 0.7127675E+02 -3.1161
8 Al+++ 0.4786570E-10 0.6862267E-09 0.1792990E-04 2.4699
9 Ca++ 0.5747906E-03 0.6374822E-03 0.2474106E+02 5.6426
10 Mg++ 0.4694992E-04 0.5201436E-04 0.1224583E+01 4.5506
11 Fe++ 0.4373791E-06 0.4752242E-06 0.2570056E-01 2.5205
12 K+ 0.1373765E-01 0.1376456E-01 0.5212010E+03 2.7719
13 Na+ 0.4410069E+00 0.4614210E+00 0.1027251E+05 4.2768
14 Mn++ 0.8426453E-05 0.1044001E-04 0.5554153E+00 3.8060
15 Zn++ 0.9456854E-07 0.3479188E-06 0.2202422E-01 1.8554
16 Cu+ 0.1471705E-13 0.1642193E-09 0.1010451E-04 -9.1998
17 Pb++ 0.6700875E-09 0.5485631E-08 0.1100625E-02 -0.2869
18 Ag+ 0.3459318E-13 0.1473227E-08 0.1538915E-03 -8.8275
19 Au+ 0.4506288E-25 0.2807364E-12 0.5354714E-07 -20.7120
20 Ba++ 0.1101475E-05 0.1230740E-05 0.1636845E+00 2.9320
21 F- 0.4620411E-03 0.4929728E-03 0.9069324E+01 1.3036
22 H2AsO3- 0.7809091E-08 0.3925626E-04 0.4749409E+01 -3.4452
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234481E+00 -.1298480E-04 0.0000000E+00
2 H2O 0.1829868E+03 0.1829874E+03 -.5631856E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4239911E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5821615E-05 0.8208696E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2528954E-02 0.2827868E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2266198E-08 0.2405013E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569382E-05 0.3392296E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1148968E-05 0.6319208E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.5423183E-09 0.1696148E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1811577E-07 0.1546905E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4865191E-08 0.4222629E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.9271047E-12 0.2183856E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405013E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.341025E+04 g
Temperature = 79.86 C Pressure = 500.00 bar Mixer frac. = 2.3000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2816E-03 -3.550 0.1692E-01 -1.772 92.98 0.6389E-02
argentite 0.2111E-06 -6.675 0.5232E-04 -4.281 0.2876 0.7347E-05
bornite 0.3392E-07 -7.470 0.1702E-04 -4.769 0.9356E-01 0.3349E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.216 0.6196E-04
galena 0.1547E-05 -5.811 0.3701E-03 -3.432 2.034 0.4871E-04
gold,native 0.2184E-11 -11.661 0.4302E-09 -9.366 0.2364E-05 0.2231E-10
silver,native 0.1493E-11 -11.826 0.1611E-09 -9.793 0.8852E-06 0.1534E-10
sphalerite 0.6319E-05 -5.199 0.6157E-03 -3.211 3.384 0.1506E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.5939E+00 0.2662E+00 0.4481 -0.575
silver,native 0.4061E+00 0.4877E-01 0.1201 -1.312
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.3000000
Solid products produced: Mass = 0.018194 g Volume = 0.006661 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 79.8574 deg.C
Sat. pressure: 16.4271 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.4121E-01 0.9079 0.6147E+00 0.6770E+00
CO2,gas 0.9588E+00 0.9442 0.1487E+02 0.1575E+02
CH4,gas 0.3646E-08 1.0122 0.6062E-07 0.5989E-07
H2,gas 0.5498E-07 1.0093 0.9115E-06 0.9031E-06
H2S,gas 0.4071E-05 0.9295 0.6216E-04 0.6688E-04
S2,gas 0.4638E-18 1.0000 0.7619E-17 0.7619E-17
CO,gas 0.1701E-09 1.0000 0.2795E-08 0.2795E-08
SO3,gas 0.5378E-33 1.0000 0.8834E-32 0.8834E-32
O2,gas 0.3538E-56 1.0000 0.5813E-55 0.5813E-55
SO2,gas 0.4360E-15 1.0000 0.7161E-14 0.7161E-14
HF,gas 0.1280E-08 1.0000 0.2103E-07 0.2103E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.10 -3.10 0.00 0.000 0.00000E+00
197 argentite -29.89 -29.89 0.00 0.000 0.00000E+00
206 bornite -92.72 -92.72 0.00 0.000 0.22955E-10
226 topaz -14.83 -14.83 0.00 0.000 0.28694E-11
261 galena -12.52 -12.52 0.00 0.000 -0.28694E-11
262 gold,native -19.84 -19.84 0.00 0.000 0.00000E+00
263 silver,native -7.22 -7.22 0.00 0.000 0.14347E-11
273 sphalerite -10.38 -10.38 0.00 0.000 -0.57387E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.90 -0.01 -2.91 -2.910 0.47011E+04 -0.211
2 CO2,gas -5.56 -7.08 -1.53 -0.509 0.24659E+04 1.172
3 CH4,gas 5.21 -4.71 -9.92 -2.479 0.16018E+05 -7.217
4 H2,gas 9.33 0.59 -8.74 -4.994 0.14117E+05 -6.040
5 H2S,gas -5.33 -12.24 -6.91 -3.453 0.11154E+05 -4.206
6 S2,gas -5.83 -25.65 -19.82 -3.049 0.32011E+05 -17.118
7 CO,gas 4.77 -6.49 -11.25 -3.462 0.18176E+05 -8.554
8 SO3,gas 20.14 -14.62 -34.75 -8.688 0.56136E+05 -32.054
9 O2,gas 56.74 -1.19 -57.93 -38.623 0.93582E+05 -55.236
10 SO2,gas 2.83 -14.02 -16.84 -4.492 0.27208E+05 -14.145
11 HF,gas 2.05 -8.33 -10.38 -5.188 0.16761E+05 -7.677
12 HCl,gas 4.04 -5.35 -9.39 -4.694 0.15166E+05 -9.389
17 albite-high 1.85 -2.57 -4.43 -0.341 0.71514E+04
18 albite 0.66 -2.57 -3.24 -0.249 0.52262E+04
22 analcite 4.50 0.52 -3.98 -0.442 0.64265E+04
26 anhydrite -4.67 -8.98 -4.31 -2.154 0.69586E+04
27 ankerite -1.28 -6.01 -4.73 -0.788 0.76389E+04
34 aragonite 1.41 -1.45 -2.86 -0.953 0.46172E+04
36 calcite 1.28 -1.45 -2.72 -0.907 0.43957E+04
53 coesite -2.47 -3.10 -0.63 -0.210 0.10183E+04
60 cristobalite -2.60 -3.10 -0.51 -0.169 0.81799E+03
65 diaspore 3.89 2.46 -1.43 -0.238 0.23108E+04
66 diamond -3.45 -5.89 -2.44 -0.698 0.39453E+04
83 gibbsite 5.06 2.45 -2.61 -0.373 0.42126E+04
86 goethite 7.09 2.21 -4.87 -1.054 0.78745E+04
87 graphite -3.89 -5.89 -2.00 -0.571 0.32257E+04
90 halite 1.66 -1.07 -2.73 -1.365 0.44094E+04
96 jadeite 5.25 0.53 -4.73 -0.473 0.76324E+04
99 kaolinite 0.32 -1.30 -1.62 -0.147 0.26208E+04
107 magnesite 1.27 -2.54 -3.80 -1.268 0.61448E+04
117 microcline -1.66 -4.08 -2.42 -0.186 0.39113E+04
121 muscovite 5.41 0.83 -4.57 -0.269 0.73864E+04
122 paragonite 7.23 2.34 -4.89 -0.288 0.78968E+04
143 pyrite -21.75 -22.54 -0.79 -0.185 0.12719E+04
145 pyrrhotiteFe0.875 -5.86 -10.10 -4.25 -1.562 0.68616E+04
147 pyrophyllite -4.57 -7.50 -2.93 -0.183 0.47291E+04
153 rhodochrosite -0.61 -3.28 -2.67 -0.889 0.43094E+04
155 sanidine -0.38 -4.08 -3.70 -0.285 0.59772E+04
157 siderite -2.21 -4.57 -2.36 -0.787 0.38117E+04
171 sulfur -9.31 -12.83 -3.52 -1.083 0.56835E+04
172 sylvite 1.34 -2.57 -3.91 -1.957 0.63222E+04
180 topaz-H 6.58 1.81 -4.77 -0.434 0.77044E+04
181 tridymite -2.67 -3.10 -0.43 -0.143 0.69512E+03
198 arsenic -7.71 -12.17 -4.46 -1.151 0.72032E+04
208 chalcedony -2.90 -3.10 -0.20 -0.066 0.32016E+03
209 chalcocite -29.38 -30.64 -1.26 -0.314 0.20305E+04
211 covellite -20.86 -21.73 -0.87 -0.332 0.14077E+04
212 dawsonite 2.56 -0.36 -2.91 -0.364 0.47028E+04
217 montmorillonite-Na -0.40 -5.40 -5.00 -0.306 0.80738E+04
230 gypsum -4.53 -8.99 -4.46 -1.116 0.72092E+04
246 acanthite -29.83 -29.89 -0.06 -0.016 0.10472E+03
252 barite -9.18 -11.69 -2.51 -1.253 0.40487E+04
253 boehmite 5.56 2.46 -3.11 -0.518 0.50200E+04
254 cerussite -2.72 -7.38 -4.66 -1.552 0.75229E+04
255 chalcopyrite -29.48 -31.45 -1.97 -0.366 0.31797E+04
260 fluorite -9.57 -11.01 -1.44 -0.481 0.23303E+04
270 silica-amorphous -2.08 -3.10 -1.02 -0.340 0.16470E+04
271 smithsonite -0.26 -5.23 -4.97 -1.658 0.80330E+04
274 wurtzite -8.44 -10.38 -1.94 -0.647 0.31346E+04
276 an20ab80 3.48 -1.19 -4.67 -0.359 0.75391E+04
Calculations done for 79.8574 Deg. C; 500.0000 bar
Mixer fraction: 2.3000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 79.857 .52727E+00 1.610
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.1847E+03
New heat: 1.582 New temperature: 78.263
New mixer fraction: 2.4000000
Resulting temperature: 78.263Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 78.26 C Pressure = 500.00 bar Mixer fraction = 2.4000000
Water: Moles liquid = 0.1889E+03 kg liquid = 0.3402E+01
Moles total = 0.1885E+03 kg total = 0.3397E+01 Activity = 0.9849
Stoichiometric ionic strength = .5117461E+00 Osmotic coef. = 0.9265
True ionic strength = .4440805E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22421E-04 -4.6493 0.15382E-04 -4.8130 0.68602E+00 -0.1637
2 H2O 0.98495E+00 -0.0066 0.98495E+00 -0.0066
3 Cl- 0.43503E+00 -0.3615 0.28775E+00 -0.5410 0.66145E+00 -0.1795
4 SO4-- 0.53605E-04 -4.2708 0.10123E-04 -4.9947 0.18885E+00 -0.7239
5 HCO3- 0.78458E-02 -2.1054 0.51954E-02 -2.2844 0.66218E+00 -0.1790
6 HS- 0.54371E-07 -7.2646 0.35962E-07 -7.4442 0.66142E+00 -0.1795
7 H4SiO4 0.74112E-03 -3.1301 0.74112E-03 -3.1301 0.10000E+01 0.0000
8 Al+++ 0.53351E-10 -10.2729 0.12276E-11 -11.9109 0.23011E-01 -1.6381
9 Ca++ 0.55980E-03 -3.2520 0.10192E-03 -3.9917 0.18207E+00 -0.7398
10 Mg++ 0.45691E-04 -4.3402 0.82422E-05 -5.0840 0.18039E+00 -0.7438
11 Fe++ 0.42548E-06 -6.3711 0.76878E-07 -7.1142 0.18068E+00 -0.7431
12 K+ 0.13335E-01 -1.8750 0.88020E-02 -2.0554 0.66005E+00 -0.1804
13 Na+ 0.42874E+00 -0.3678 0.28201E+00 -0.5497 0.65777E+00 -0.1819
14 Mn++ 0.82623E-05 -5.0829 0.14951E-05 -5.8253 0.18096E+00 -0.7424
15 Zn++ 0.94554E-07 -7.0243 0.17084E-07 -7.7674 0.18068E+00 -0.7431
16 Cu+ 0.12857E-13 -13.8909 0.84565E-14 -14.0728 0.65775E+00 -0.1819
17 Pb++ 0.62411E-09 -9.2047 0.11462E-09 -9.9408 0.18365E+00 -0.7360
18 Ag+ 0.30013E-13 -13.5227 0.19791E-13 -13.7035 0.65942E+00 -0.1808
19 Au+ 0.35184E-25 -25.4537 0.23237E-25 -25.6338 0.66044E+00 -0.1802
20 Ba++ 0.10746E-05 -5.9688 0.19866E-06 -6.7019 0.18487E+00 -0.7331
21 F- 0.44934E-03 -3.3474 0.30010E-03 -3.5227 0.66788E+00 -0.1753
22 H2AsO3- 0.71428E-08 -8.1461 0.50251E-08 -8.2989 0.70351E+00 -0.1527
24 HSiO3- 0.75144E-07 -7.1241 0.49704E-07 -7.3036 0.66145E+00 -0.1795
25 Ca(HSiO3)+ 0.11454E-09 -9.9410 0.75650E-10 -10.1212 0.66044E+00 -0.1802
26 Mg(HSiO3)+ 0.12653E-10 -10.8978 0.83564E-11 -11.0780 0.66044E+00 -0.1802
27 NaHSiO3,aq 0.26447E-06 -6.5776 0.26447E-06 -6.5776 0.10000E+01 0.0000
32 AgCl2- 0.92197E-10 -10.0353 0.60984E-10 -10.2148 0.66145E+00 -0.1795
33 AgCl3-2 0.18787E-10 -10.7261 0.35261E-11 -11.4527 0.18768E+00 -0.7266
38 Ag(HS),aq 0.12760E-08 -8.8941 0.12760E-08 -8.8941 0.10000E+01 0.0000
40 AlO+ 0.95713E-10 -10.0190 0.63212E-10 -10.1992 0.66044E+00 -0.1802
41 AlOH+2 0.66241E-10 -10.1789 0.12011E-10 -10.9204 0.18132E+00 -0.7415
42 HAlO2,aq 0.38838E-09 -9.4107 0.38838E-09 -9.4107 0.10000E+01 0.0000
43 AlO2- 0.48780E-10 -10.3118 0.32487E-10 -10.4883 0.66599E+00 -0.1765
44 AsO2- 0.64742E-08 -8.1888 0.42824E-08 -8.3683 0.66145E+00 -0.1795
45 HAsO2,aq 0.16941E-04 -4.7711 0.16941E-04 -4.7711 0.10000E+01 0.0000
46 H3AsO3,aq 0.21148E-04 -4.6747 0.21148E-04 -4.6747 0.10000E+01 0.0000
62 BaCO3,aq 0.14030E-10 -10.8530 0.14030E-10 -10.8530 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.46197E-07 -7.3354 0.30608E-07 -7.5142 0.66256E+00 -0.1788
64 BaCl+ 0.73642E-07 -7.1329 0.48636E-07 -7.3130 0.66044E+00 -0.1802
65 BaF+ 0.12352E-09 -9.9083 0.81576E-10 -10.0884 0.66044E+00 -0.1802
66 CH4,aq 0.21569E-10 -10.6662 0.20017E-10 -10.6986 0.92803E+00 -0.0324
72 CO2,aq 0.94987E-01 -1.0223 0.88151E-01 -1.0548 0.92803E+00 -0.0324
73 CO3-2 0.25631E-06 -6.5912 0.48105E-07 -7.3178 0.18768E+00 -0.7266
74 CaCO3,aq 0.30661E-07 -7.5134 0.30661E-07 -7.5134 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.13230E-04 -4.8784 0.87376E-05 -5.0586 0.66044E+00 -0.1802
76 CaCl+ 0.43291E-04 -4.3636 0.28591E-04 -4.5438 0.66044E+00 -0.1802
77 CaCl2,aq 0.17764E-05 -5.7505 0.17764E-05 -5.7505 0.10000E+01 0.0000
78 CaF+ 0.40685E-06 -6.3906 0.26870E-06 -6.5707 0.66044E+00 -0.1802
79 CaOH+ 0.14333E-09 -9.8437 0.94659E-10 -10.0238 0.66044E+00 -0.1802
80 CaSO4,aq 0.21037E-06 -6.6770 0.21037E-06 -6.6770 0.10000E+01 0.0000
81 HCl,aq 0.94841E-06 -6.0230 0.94841E-06 -6.0230 0.10000E+01 0.0000
90 CuCl,aq 0.15904E-10 -10.7985 0.15904E-10 -10.7985 0.10000E+01 0.0000
91 CuCl2- 0.11406E-09 -9.9429 0.75447E-10 -10.1224 0.66145E+00 -0.1795
98 HF,aq 0.15292E-04 -4.8155 0.15292E-04 -4.8155 0.10000E+01 0.0000
99 HF2- 0.19060E-08 -8.7199 0.12607E-08 -8.8994 0.66145E+00 -0.1795
101 FeCl+ 0.34446E-07 -7.4629 0.22749E-07 -7.6430 0.66044E+00 -0.1802
104 FeF+ 0.12216E-08 -8.9131 0.80679E-09 -9.0932 0.66044E+00 -0.1802
107 FeOH+ 0.10393E-09 -9.9832 0.68642E-10 -10.1634 0.66044E+00 -0.1802
113 H2,aq 0.41395E-09 -9.3831 0.38416E-09 -9.4155 0.92803E+00 -0.0324
114 KCl,aq 0.23120E-04 -4.6360 0.23120E-04 -4.6360 0.10000E+01 0.0000
116 KOH,aq 0.98852E-10 -10.0050 0.98852E-10 -10.0050 0.10000E+01 0.0000
117 KSO4- 0.15421E-05 -5.8119 0.10200E-05 -5.9914 0.66145E+00 -0.1795
118 MgCO3,aq 0.70112E-09 -9.1542 0.70112E-09 -9.1542 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.10833E-05 -5.9652 0.71546E-06 -6.1454 0.66044E+00 -0.1802
120 MgCl+ 0.35818E-05 -5.4459 0.23656E-05 -5.6261 0.66044E+00 -0.1802
121 MgF+ 0.12828E-06 -6.8918 0.84722E-07 -7.0720 0.66044E+00 -0.1802
122 MgOH+ 0.77681E-10 -10.1097 0.51304E-10 -10.2899 0.66044E+00 -0.1802
124 MnF+ 0.74098E-08 -8.1302 0.48937E-08 -8.3104 0.66044E+00 -0.1802
126 MnOH+ 0.16469E-09 -9.7833 0.10877E-09 -9.9635 0.66044E+00 -0.1802
131 MnCl+ 0.18606E-05 -5.7303 0.12288E-05 -5.9105 0.66044E+00 -0.1802
132 MnSO4,aq 0.26482E-08 -8.5770 0.26482E-08 -8.5770 0.10000E+01 0.0000
133 NaCl,aq 0.19106E-01 -1.7188 0.19106E-01 -1.7188 0.10000E+01 0.0000
134 NaF,aq 0.13305E-04 -4.8760 0.13305E-04 -4.8760 0.10000E+01 0.0000
135 NaOH,aq 0.36900E-08 -8.4330 0.36900E-08 -8.4330 0.10000E+01 0.0000
137 OH- 0.32178E-07 -7.4924 0.21430E-07 -7.6690 0.66599E+00 -0.1765
140 PbCl+ 0.20706E-08 -8.6839 0.13675E-08 -8.8641 0.66044E+00 -0.1802
141 PbCl2,aq 0.17604E-08 -8.7544 0.17604E-08 -8.7544 0.10000E+01 0.0000
142 PbCl3- 0.32608E-09 -9.4867 0.21568E-09 -9.6662 0.66145E+00 -0.1795
143 PbCl4-2 0.96921E-10 -10.0136 0.18191E-10 -10.7402 0.18768E+00 -0.7266
150 H2S,aq 0.16427E-05 -5.7845 0.15244E-05 -5.8169 0.92803E+00 -0.0324
159 HSO4- 0.81325E-07 -7.0898 0.54031E-07 -7.2674 0.66438E+00 -0.1776
173 ZnCl+ 0.20393E-06 -6.6905 0.13469E-06 -6.8707 0.66044E+00 -0.1802
174 ZnCl2,aq 0.22811E-07 -7.6419 0.22811E-07 -7.6419 0.10000E+01 0.0000
175 ZnCl3- 0.18285E-08 -8.7379 0.12094E-08 -8.9174 0.66145E+00 -0.1795
176 ZnF+ 0.16149E-09 -9.7918 0.10666E-09 -9.9720 0.66044E+00 -0.1802
178 ZnOH+ 0.22741E-08 -8.6432 0.15019E-08 -8.8234 0.66044E+00 -0.1802
Charge balance for all species = -.3810E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2242149E-04 0.9506461E-01 0.9287560E+02 0.0000
2 H2O 0.1000000E+01 0.5541325E+02 0.9676162E+06 0.0000
3 Cl- 0.4350256E+00 0.4542083E+00 0.1560832E+05 4.2720
4 SO4-- 0.5360539E-04 0.5544169E-04 0.5162195E+01 4.6313
5 HCO3- 0.7845840E-02 0.1028473E+00 0.6082655E+04 2.5286
6 HS- 0.5437059E-07 0.1698427E-05 0.5444467E-01 -2.6312
7 H4SiO4 0.7411157E-03 0.7414555E-03 0.6907583E+02 -3.1301
8 Al+++ 0.5335071E-10 0.6524612E-09 0.1706353E-04 2.5281
9 Ca++ 0.5598000E-03 0.6187460E-03 0.2403624E+02 5.6343
10 Mg++ 0.4569142E-04 0.5048561E-04 0.1189697E+01 4.5420
11 Fe++ 0.4254813E-06 0.4612527E-06 0.2496818E-01 2.5118
12 K+ 0.1333534E-01 0.1336000E-01 0.5063531E+03 2.7576
13 Na+ 0.4287398E+00 0.4478594E+00 0.9979871E+04 4.2633
14 Mn++ 0.8262338E-05 0.1013317E-04 0.5395927E+00 3.8007
15 Zn++ 0.9455417E-07 0.3255635E-06 0.2062824E-01 1.8586
16 Cu+ 0.1285675E-13 0.1385939E-09 0.8535707E-05 -9.2598
17 Pb++ 0.6241076E-09 0.4885956E-08 0.9812200E-03 -0.3148
18 Ag+ 0.3001296E-13 0.1392075E-08 0.1455497E-03 -8.8905
19 Au+ 0.3518412E-25 0.2561215E-12 0.4889761E-07 -20.8208
20 Ba++ 0.1074591E-05 0.1194567E-05 0.1590214E+00 2.9241
21 F- 0.4493388E-03 0.4784838E-03 0.8810959E+01 1.2903
22 H2AsO3- 0.7142834E-08 0.3810248E-04 0.4614108E+01 -3.4859
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234482E+00 -.1302776E-04 0.0000000E+00
2 H2O 0.1885377E+03 0.1885382E+03 -.5756323E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4241670E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5778734E-05 0.8251576E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2522731E-02 0.2890102E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2219937E-08 0.2405059E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569368E-05 0.3393711E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1107698E-05 0.6360478E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.4715525E-09 0.1696856E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1662399E-07 0.1548397E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4736402E-08 0.4223917E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.8714288E-12 0.2239532E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405059E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.351025E+04 g
Temperature = 78.26 C Pressure = 500.00 bar Mixer frac. = 2.4000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2878E-03 -3.541 0.1729E-01 -1.762 93.10 0.6530E-02
argentite 0.2112E-06 -6.675 0.5233E-04 -4.281 0.2818 0.7349E-05
bornite 0.3394E-07 -7.469 0.1703E-04 -4.769 0.9169E-01 0.3350E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.192 0.6196E-04
galena 0.1548E-05 -5.810 0.3705E-03 -3.431 1.995 0.4876E-04
gold,native 0.2240E-11 -11.650 0.4411E-09 -9.355 0.2375E-05 0.2288E-10
silver,native 0.1517E-11 -11.819 0.1636E-09 -9.786 0.8810E-06 0.1558E-10
sphalerite 0.6360E-05 -5.197 0.6197E-03 -3.208 3.337 0.1516E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.5962E+00 0.2687E+00 0.4507 -0.571
silver,native 0.4038E+00 0.4730E-01 0.1171 -1.325
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.4000000
Solid products produced: Mass = 0.018572 g Volume = 0.006803 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 78.2635 deg.C
Sat. pressure: 15.6270 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.4049E-01 0.9119 0.5769E+00 0.6327E+00
CO2,gas 0.9595E+00 0.9460 0.1418E+02 0.1499E+02
CH4,gas 0.3578E-08 1.0116 0.5656E-07 0.5592E-07
H2,gas 0.5220E-07 1.0089 0.8229E-06 0.8157E-06
H2S,gas 0.4054E-05 0.9320 0.5905E-04 0.6336E-04
S2,gas 0.4143E-18 1.0000 0.6474E-17 0.6474E-17
CO,gas 0.1540E-09 1.0000 0.2406E-08 0.2406E-08
SO3,gas 0.3870E-33 1.0000 0.6048E-32 0.6048E-32
O2,gas 0.1894E-56 1.0000 0.2960E-55 0.2960E-55
SO2,gas 0.3770E-15 1.0000 0.5891E-14 0.5891E-14
HF,gas 0.1189E-08 1.0000 0.1858E-07 0.1858E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.12 -3.12 0.00 0.000 0.00000E+00
197 argentite -30.04 -30.04 0.00 0.000 0.00000E+00
206 bornite -93.11 -93.11 0.00 0.000 -0.22851E-10
226 topaz -14.75 -14.75 0.00 0.000 0.11426E-10
261 galena -12.57 -12.57 0.00 0.000 0.00000E+00
262 gold,native -19.96 -19.96 0.00 0.000 -0.57128E-11
263 silver,native -7.27 -7.27 0.00 0.000 0.14282E-11
273 sphalerite -10.40 -10.40 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.93 -0.01 -2.94 -2.938 0.47241E+04 -0.239
2 CO2,gas -5.54 -7.09 -1.55 -0.516 0.24878E+04 1.152
3 CH4,gas 5.21 -4.74 -9.95 -2.487 0.15994E+05 -7.247
4 H2,gas 9.37 0.58 -8.78 -5.019 0.14124E+05 -6.085
5 H2S,gas -5.33 -12.26 -6.93 -3.464 0.11140E+05 -4.229
6 S2,gas -5.80 -25.68 -19.89 -3.060 0.31980E+05 -17.189
7 CO,gas 4.82 -6.50 -11.32 -3.482 0.18199E+05 -8.619
8 SO3,gas 20.30 -14.61 -34.92 -8.729 0.56147E+05 -32.218
9 O2,gas 57.05 -1.18 -58.23 -38.818 0.93631E+05 -55.529
10 SO2,gas 2.91 -14.02 -16.93 -4.514 0.27222E+05 -14.230
11 HF,gas 2.09 -8.34 -10.43 -5.215 0.16771E+05 -7.731
12 HCl,gas 4.10 -5.35 -9.45 -4.726 0.15198E+05 -9.451
17 albite-high 1.91 -2.57 -4.49 -0.345 0.72137E+04
18 albite 0.71 -2.57 -3.28 -0.253 0.52820E+04
22 analcite 4.57 0.54 -4.03 -0.448 0.64790E+04
26 anhydrite -4.65 -8.99 -4.34 -2.170 0.69802E+04
27 ankerite -1.24 -6.05 -4.80 -0.801 0.77249E+04
34 aragonite 1.44 -1.46 -2.90 -0.966 0.46605E+04
36 calcite 1.30 -1.46 -2.76 -0.920 0.44401E+04
53 coesite -2.48 -3.12 -0.63 -0.211 0.10177E+04
60 cristobalite -2.61 -3.12 -0.51 -0.170 0.82087E+03
65 diaspore 3.96 2.51 -1.44 -0.240 0.23187E+04
66 diamond -3.47 -5.91 -2.44 -0.696 0.39180E+04
83 gibbsite 5.13 2.51 -2.62 -0.374 0.42117E+04
86 goethite 7.14 2.21 -4.93 -1.066 0.79253E+04
87 graphite -3.92 -5.91 -1.99 -0.569 0.31999E+04
90 halite 1.66 -1.09 -2.75 -1.376 0.44267E+04
96 jadeite 5.32 0.54 -4.77 -0.477 0.76760E+04
99 kaolinite 0.42 -1.21 -1.63 -0.148 0.26266E+04
107 magnesite 1.30 -2.56 -3.86 -1.285 0.62004E+04
117 microcline -1.62 -4.08 -2.45 -0.189 0.39456E+04
121 muscovite 5.58 0.95 -4.63 -0.272 0.74404E+04
122 paragonite 7.41 2.46 -4.96 -0.292 0.79693E+04
143 pyrite -21.81 -22.59 -0.77 -0.182 0.12430E+04
145 pyrrhotiteFe0.875 -5.85 -10.13 -4.28 -1.573 0.68784E+04
147 pyrophyllite -4.49 -7.44 -2.95 -0.185 0.47472E+04
153 rhodochrosite -0.60 -3.30 -2.70 -0.900 0.43404E+04
155 sanidine -0.34 -4.08 -3.74 -0.288 0.60115E+04
157 siderite -2.19 -4.59 -2.40 -0.799 0.38523E+04
171 sulfur -9.33 -12.84 -3.51 -1.080 0.56462E+04
172 sylvite 1.33 -2.60 -3.93 -1.965 0.63194E+04
180 topaz-H 6.71 1.91 -4.80 -0.436 0.77170E+04
181 tridymite -2.68 -3.12 -0.43 -0.144 0.69653E+03
198 arsenic -7.75 -12.22 -4.46 -1.152 0.71771E+04
208 chalcedony -2.92 -3.12 -0.20 -0.066 0.32018E+03
209 chalcocite -29.52 -30.78 -1.26 -0.315 0.20238E+04
211 covellite -20.95 -21.81 -0.86 -0.328 0.13828E+04
212 dawsonite 2.61 -0.32 -2.93 -0.366 0.47058E+04
230 gypsum -4.52 -9.00 -4.48 -1.120 0.72067E+04
246 acanthite -29.98 -30.04 -0.06 -0.016 0.10117E+03
252 barite -9.19 -11.70 -2.51 -1.255 0.40357E+04
253 boehmite 5.65 2.51 -3.13 -0.522 0.50339E+04
254 cerussite -2.72 -7.41 -4.69 -1.564 0.75425E+04
255 chalcopyrite -29.58 -31.55 -1.98 -0.368 0.31801E+04
260 fluorite -9.57 -11.04 -1.47 -0.490 0.23624E+04
270 silica-amorphous -2.09 -3.12 -1.03 -0.342 0.16512E+04
274 wurtzite -8.45 -10.40 -1.95 -0.650 0.31348E+04
276 an20ab80 3.56 -1.17 -4.73 -0.364 0.76081E+04
Calculations done for 78.2635 Deg. C; 500.0000 bar
Mixer fraction: 2.4000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 78.263 .51175E+00 1.582
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.1903E+03
New heat: 1.556 New temperature: 76.759
New mixer fraction: 2.5000000
Resulting temperature: 76.759Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 76.76 C Pressure = 500.00 bar Mixer fraction = 2.5000000
Water: Moles liquid = 0.1944E+03 kg liquid = 0.3502E+01
Moles total = 0.1941E+03 kg total = 0.3497E+01 Activity = 0.9854
Stoichiometric ionic strength = .4971104E+00 Osmotic coef. = 0.9263
True ionic strength = .4320344E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22460E-04 -4.6486 0.15464E-04 -4.8107 0.68850E+00 -0.1621
2 H2O 0.98538E+00 -0.0064 0.98538E+00 -0.0064
3 Cl- 0.42323E+00 -0.3734 0.28084E+00 -0.5515 0.66355E+00 -0.1781
4 SO4-- 0.52118E-04 -4.2830 0.10022E-04 -4.9991 0.19229E+00 -0.7160
5 HCO3- 0.76226E-02 -2.1179 0.50629E-02 -2.2956 0.66420E+00 -0.1777
6 HS- 0.51396E-07 -7.2891 0.34101E-07 -7.4672 0.66351E+00 -0.1782
7 H4SiO4 0.71862E-03 -3.1435 0.71862E-03 -3.1435 0.10000E+01 0.0000
8 Al+++ 0.59096E-10 -10.2284 0.14183E-11 -11.8482 0.24001E-01 -1.6198
9 Ca++ 0.54554E-03 -3.2632 0.10121E-03 -3.9948 0.18552E+00 -0.7316
10 Mg++ 0.44498E-04 -4.3517 0.81823E-05 -5.0871 0.18388E+00 -0.7355
11 Fe++ 0.41421E-06 -6.3828 0.76284E-07 -7.1176 0.18417E+00 -0.7348
12 K+ 0.12956E-01 -1.8875 0.85776E-02 -2.0666 0.66207E+00 -0.1791
13 Na+ 0.41713E+00 -0.3797 0.27526E+00 -0.5603 0.65989E+00 -0.1805
14 Mn++ 0.81015E-05 -5.0914 0.14942E-05 -5.8256 0.18443E+00 -0.7342
15 Zn++ 0.94454E-07 -7.0248 0.17396E-07 -7.7596 0.18417E+00 -0.7348
16 Cu+ 0.11299E-13 -13.9469 0.74561E-14 -14.1275 0.65987E+00 -0.1805
17 Pb++ 0.58266E-09 -9.2346 0.10901E-09 -9.9625 0.18709E+00 -0.7280
18 Ag+ 0.26203E-13 -13.5816 0.17333E-13 -13.7611 0.66146E+00 -0.1795
19 Au+ 0.27767E-25 -25.5565 0.18394E-25 -25.7353 0.66245E+00 -0.1788
20 Ba++ 0.10488E-05 -5.9793 0.19749E-06 -6.7045 0.18830E+00 -0.7252
21 F- 0.43731E-03 -3.3592 0.29303E-03 -3.5331 0.67007E+00 -0.1739
22 H2AsO3- 0.65619E-08 -8.1830 0.46248E-08 -8.3349 0.70480E+00 -0.1519
24 HSiO3- 0.70279E-07 -7.1532 0.46633E-07 -7.3313 0.66355E+00 -0.1781
25 Ca(HSiO3)+ 0.10435E-09 -9.9815 0.69125E-10 -10.1604 0.66245E+00 -0.1788
26 Mg(HSiO3)+ 0.11604E-10 -10.9354 0.76868E-11 -11.1143 0.66245E+00 -0.1788
27 NaHSiO3,aq 0.24792E-06 -6.6057 0.24792E-06 -6.6057 0.10000E+01 0.0000
32 AgCl2- 0.78555E-10 -10.1048 0.52125E-10 -10.2830 0.66355E+00 -0.1781
33 AgCl3-2 0.15681E-10 -10.8046 0.29973E-11 -11.5233 0.19113E+00 -0.7187
38 Ag(HS),aq 0.12212E-08 -8.9132 0.12212E-08 -8.9132 0.10000E+01 0.0000
40 AlO+ 0.94301E-10 -10.0255 0.62469E-10 -10.2043 0.66245E+00 -0.1788
41 AlOH+2 0.68950E-10 -10.1615 0.12742E-10 -10.8948 0.18479E+00 -0.7333
42 HAlO2,aq 0.35929E-09 -9.4446 0.35929E-09 -9.4446 0.10000E+01 0.0000
43 AlO2- 0.42863E-10 -10.3679 0.28640E-10 -10.5430 0.66817E+00 -0.1751
44 AsO2- 0.60782E-08 -8.2162 0.40332E-08 -8.3944 0.66355E+00 -0.1781
45 HAsO2,aq 0.16550E-04 -4.7812 0.16550E-04 -4.7812 0.10000E+01 0.0000
46 H3AsO3,aq 0.20452E-04 -4.6893 0.20452E-04 -4.6893 0.10000E+01 0.0000
62 BaCO3,aq 0.12970E-10 -10.8871 0.12970E-10 -10.8871 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.42582E-07 -7.3708 0.28296E-07 -7.5483 0.66450E+00 -0.1775
64 BaCl+ 0.68936E-07 -7.1616 0.45667E-07 -7.3404 0.66245E+00 -0.1788
65 BaF+ 0.11637E-09 -9.9342 0.77090E-10 -10.1130 0.66245E+00 -0.1788
66 CH4,aq 0.20245E-10 -10.6937 0.18813E-10 -10.7255 0.92925E+00 -0.0319
72 CO2,aq 0.92274E-01 -1.0349 0.85746E-01 -1.0668 0.92925E+00 -0.0319
73 CO3-2 0.24285E-06 -6.6147 0.46417E-07 -7.3333 0.19113E+00 -0.7187
74 CaCO3,aq 0.28363E-07 -7.5473 0.28363E-07 -7.5473 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.12500E-04 -4.9031 0.82806E-05 -5.0819 0.66245E+00 -0.1788
76 CaCl+ 0.40775E-04 -4.3896 0.27011E-04 -4.5685 0.66245E+00 -0.1788
77 CaCl2,aq 0.16510E-05 -5.7823 0.16510E-05 -5.7823 0.10000E+01 0.0000
78 CaF+ 0.38345E-06 -6.4163 0.25402E-06 -6.5951 0.66245E+00 -0.1788
79 CaOH+ 0.12619E-09 -9.8990 0.83596E-10 -10.0778 0.66245E+00 -0.1788
80 CaSO4,aq 0.20279E-06 -6.6930 0.20279E-06 -6.6930 0.10000E+01 0.0000
81 HCl,aq 0.92937E-06 -6.0318 0.92937E-06 -6.0318 0.10000E+01 0.0000
90 CuCl,aq 0.13855E-10 -10.8584 0.13855E-10 -10.8584 0.10000E+01 0.0000
91 CuCl2- 0.96760E-10 -10.0143 0.64205E-10 -10.1924 0.66355E+00 -0.1781
98 HF,aq 0.14538E-04 -4.8375 0.14538E-04 -4.8375 0.10000E+01 0.0000
99 HF2- 0.17547E-08 -8.7558 0.11644E-08 -8.9339 0.66355E+00 -0.1781
101 FeCl+ 0.32618E-07 -7.4865 0.21607E-07 -7.6654 0.66245E+00 -0.1788
104 FeF+ 0.11616E-08 -8.9350 0.76947E-09 -9.1138 0.66245E+00 -0.1788
107 FeOH+ 0.94889E-10 -10.0228 0.62859E-10 -10.2016 0.66245E+00 -0.1788
113 H2,aq 0.37343E-09 -9.4278 0.34701E-09 -9.4597 0.92925E+00 -0.0319
114 KCl,aq 0.21226E-04 -4.6731 0.21226E-04 -4.6731 0.10000E+01 0.0000
116 KOH,aq 0.88300E-10 -10.0540 0.88300E-10 -10.0540 0.10000E+01 0.0000
117 KSO4- 0.14584E-05 -5.8361 0.96768E-06 -6.0143 0.66355E+00 -0.1781
118 MgCO3,aq 0.65567E-09 -9.1833 0.65567E-09 -9.1833 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.10228E-05 -5.9902 0.67756E-06 -6.1690 0.66245E+00 -0.1788
120 MgCl+ 0.34015E-05 -5.4683 0.22533E-05 -5.6472 0.66245E+00 -0.1788
121 MgF+ 0.12139E-06 -6.9158 0.80412E-07 -7.0947 0.66245E+00 -0.1788
122 MgOH+ 0.69445E-10 -10.1584 0.46004E-10 -10.3372 0.66245E+00 -0.1788
124 MnF+ 0.70735E-08 -8.1504 0.46858E-08 -8.3292 0.66245E+00 -0.1788
126 MnOH+ 0.14984E-09 -9.8244 0.99262E-10 -10.0032 0.66245E+00 -0.1788
131 MnCl+ 0.17326E-05 -5.7613 0.11477E-05 -5.9402 0.66245E+00 -0.1788
132 MnSO4,aq 0.25542E-08 -8.5928 0.25542E-08 -8.5928 0.10000E+01 0.0000
133 NaCl,aq 0.17934E-01 -1.7463 0.17934E-01 -1.7463 0.10000E+01 0.0000
134 NaF,aq 0.12460E-04 -4.9045 0.12460E-04 -4.9045 0.10000E+01 0.0000
135 NaOH,aq 0.33315E-08 -8.4774 0.33315E-08 -8.4774 0.10000E+01 0.0000
137 OH- 0.29818E-07 -7.5255 0.19923E-07 -7.7006 0.66817E+00 -0.1751
140 PbCl+ 0.18804E-08 -8.7258 0.12457E-08 -8.9046 0.66245E+00 -0.1788
141 PbCl2,aq 0.15457E-08 -8.8109 0.15457E-08 -8.8109 0.10000E+01 0.0000
142 PbCl3- 0.27729E-09 -9.5571 0.18399E-09 -9.7352 0.66355E+00 -0.1781
143 PbCl4-2 0.79821E-10 -10.0979 0.15257E-10 -10.8165 0.19113E+00 -0.7187
150 H2S,aq 0.15863E-05 -5.7996 0.14741E-05 -5.8315 0.92925E+00 -0.0319
159 HSO4- 0.76832E-07 -7.1145 0.51195E-07 -7.2908 0.66632E+00 -0.1763
173 ZnCl+ 0.18688E-06 -6.7284 0.12380E-06 -6.9073 0.66245E+00 -0.1788
174 ZnCl2,aq 0.20593E-07 -7.6863 0.20593E-07 -7.6863 0.10000E+01 0.0000
175 ZnCl3- 0.16323E-08 -8.7872 0.10831E-08 -8.9653 0.66355E+00 -0.1781
176 ZnF+ 0.15717E-09 -9.8036 0.10412E-09 -9.9825 0.66245E+00 -0.1788
178 ZnOH+ 0.20592E-08 -8.6863 0.13641E-08 -8.8651 0.66245E+00 -0.1788
Charge balance for all species = -.3701E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2246047E-04 0.9235035E-01 0.9030307E+02 0.0000
2 H2O 0.1000000E+01 0.5541596E+02 0.9685134E+06 0.0000
3 Cl- 0.4232345E+00 0.4412398E+00 0.1517599E+05 4.2591
4 SO4-- 0.5211831E-04 0.5385873E-04 0.5019208E+01 4.6223
5 HCO3- 0.7622587E-02 0.9991081E-01 0.5914173E+04 2.5151
6 HS- 0.5139586E-07 0.1639035E-05 0.5258696E-01 -2.6565
7 H4SiO4 0.7186238E-03 0.7189421E-03 0.6703724E+02 -3.1435
8 Al+++ 0.5909596E-10 0.6245027E-09 0.1634668E-04 2.5838
9 Ca++ 0.5455390E-03 0.6010796E-03 0.2337046E+02 5.6266
10 Mg++ 0.4449770E-04 0.4904415E-04 0.1156744E+01 4.5342
11 Fe++ 0.4142055E-06 0.4480797E-06 0.2427641E-01 2.5038
12 K+ 0.1295586E-01 0.1297855E-01 0.4923278E+03 2.7440
13 Na+ 0.4171259E+00 0.4350722E+00 0.9703440E+04 4.2504
14 Mn++ 0.8101515E-05 0.9843846E-05 0.5246467E+00 3.7958
15 Zn++ 0.9445431E-07 0.3057726E-06 0.1939127E-01 1.8618
16 Cu+ 0.1129932E-13 0.1177710E-09 0.7259637E-05 -9.3168
17 Pb++ 0.5826646E-09 0.4372962E-08 0.8789695E-03 -0.3412
18 Ag+ 0.2620348E-13 0.1319855E-08 0.1381198E-03 -8.9505
19 Au+ 0.2776712E-25 0.2345222E-12 0.4481328E-07 -20.9246
20 Ba++ 0.1048812E-05 0.1160460E-05 0.1546167E+00 2.9169
21 F- 0.4373075E-03 0.4648222E-03 0.8566905E+01 1.2776
22 H2AsO3- 0.6561862E-08 0.3701458E-04 0.4486303E+01 -3.5242
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234482E+00 -.1306598E-04 0.0000000E+00
2 H2O 0.1940885E+03 0.1940891E+03 -.5850427E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4243138E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5740564E-05 0.8289747E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2518026E-02 0.2937154E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2187261E-08 0.2405092E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569356E-05 0.3394893E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1070939E-05 0.6397237E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.4124817E-09 0.1697446E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1531588E-07 0.1549705E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4622663E-08 0.4225054E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.8213914E-12 0.2289569E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405092E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.4235E-20 Mass of aqueous solution: 0.361025E+04 g
Temperature = 76.76 C Pressure = 500.00 bar Mixer frac. = 2.5000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2925E-03 -3.534 0.1757E-01 -1.755 93.19 0.6637E-02
argentite 0.2113E-06 -6.675 0.5235E-04 -4.281 0.2776 0.7351E-05
bornite 0.3395E-07 -7.469 0.1704E-04 -4.769 0.9033E-01 0.3351E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.174 0.6196E-04
galena 0.1550E-05 -5.810 0.3708E-03 -3.431 1.966 0.4880E-04
gold,native 0.2290E-11 -11.640 0.4510E-09 -9.346 0.2391E-05 0.2339E-10
silver,native 0.1537E-11 -11.813 0.1658E-09 -9.780 0.8794E-06 0.1579E-10
sphalerite 0.6397E-05 -5.194 0.6233E-03 -3.205 3.305 0.1524E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.5983E+00 0.2710E+00 0.4530 -0.567
silver,native 0.4017E+00 0.4595E-01 0.1144 -1.338
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.5000000
Solid products produced: Mass = 0.018859 g Volume = 0.006911 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 76.7595 deg.C
Sat. pressure: 14.8881 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3984E-01 0.9156 0.5431E+00 0.5932E+00
CO2,gas 0.9602E+00 0.9477 0.1355E+02 0.1429E+02
CH4,gas 0.3517E-08 1.0110 0.5294E-07 0.5237E-07
H2,gas 0.4973E-07 1.0085 0.7467E-06 0.7404E-06
H2S,gas 0.4040E-05 0.9344 0.5620E-04 0.6015E-04
S2,gas 0.3719E-18 1.0000 0.5537E-17 0.5537E-17
CO,gas 0.1401E-09 1.0000 0.2085E-08 0.2085E-08
SO3,gas 0.2828E-33 1.0000 0.4211E-32 0.4211E-32
O2,gas 0.1045E-56 1.0000 0.1556E-55 0.1556E-55
SO2,gas 0.3282E-15 1.0000 0.4887E-14 0.4887E-14
HF,gas 0.1108E-08 1.0000 0.1650E-07 0.1650E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.13 -3.13 0.00 0.000 0.00000E+00
197 argentite -30.18 -30.18 0.00 0.000 0.00000E+00
206 bornite -93.48 -93.48 0.00 0.000 -0.22753E-10
226 topaz -14.66 -14.66 0.00 0.000 0.28442E-11
261 galena -12.62 -12.62 0.00 0.000 0.28442E-11
262 gold,native -20.07 -20.07 0.00 0.000 0.00000E+00
263 silver,native -7.32 -7.32 0.00 0.000 -0.14221E-11
273 sphalerite -10.42 -10.42 0.00 0.000 0.28442E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.96 -0.01 -2.96 -2.964 0.47459E+04 -0.265
2 CO2,gas -5.53 -7.10 -1.57 -0.522 0.25092E+04 1.132
3 CH4,gas 5.20 -4.77 -9.98 -2.494 0.15972E+05 -7.276
4 H2,gas 9.41 0.58 -8.83 -5.043 0.14131E+05 -6.127
5 H2S,gas -5.33 -12.28 -6.95 -3.475 0.11127E+05 -4.250
6 S2,gas -5.76 -25.71 -19.96 -3.070 0.31952E+05 -17.257
7 CO,gas 4.87 -6.51 -11.38 -3.501 0.18221E+05 -8.681
8 SO3,gas 20.46 -14.61 -35.07 -8.769 0.56159E+05 -32.376
9 O2,gas 57.34 -1.17 -58.51 -39.005 0.93677E+05 -55.808
10 SO2,gas 2.98 -14.03 -17.01 -4.536 0.27235E+05 -14.311
11 HF,gas 2.14 -8.34 -10.48 -5.241 0.16782E+05 -7.782
12 HCl,gas 4.15 -5.36 -9.51 -4.756 0.15229E+05 -9.511
17 albite-high 1.97 -2.57 -4.54 -0.349 0.72719E+04
18 albite 0.76 -2.57 -3.33 -0.256 0.53340E+04
22 analcite 4.63 0.55 -4.08 -0.453 0.65279E+04
26 anhydrite -4.62 -8.99 -4.37 -2.186 0.70010E+04
27 ankerite -1.21 -6.08 -4.88 -0.813 0.78064E+04
34 aragonite 1.46 -1.48 -2.94 -0.979 0.47016E+04
36 calcite 1.32 -1.48 -2.80 -0.933 0.44822E+04
53 coesite -2.50 -3.13 -0.64 -0.212 0.10171E+04
60 cristobalite -2.62 -3.13 -0.51 -0.171 0.82360E+03
65 diaspore 4.02 2.57 -1.45 -0.242 0.23255E+04
66 diamond -3.50 -5.93 -2.43 -0.695 0.38926E+04
83 gibbsite 5.19 2.56 -2.63 -0.376 0.42103E+04
86 goethite 7.18 2.20 -4.98 -1.077 0.79729E+04
87 graphite -3.95 -5.93 -1.98 -0.567 0.31758E+04
90 halite 1.66 -1.11 -2.78 -1.388 0.44437E+04
96 jadeite 5.38 0.56 -4.82 -0.482 0.77164E+04
99 kaolinite 0.52 -1.13 -1.64 -0.149 0.26308E+04
107 magnesite 1.33 -2.57 -3.91 -1.302 0.62531E+04
117 microcline -1.59 -4.08 -2.48 -0.191 0.39771E+04
121 muscovite 5.74 1.06 -4.68 -0.275 0.74893E+04
143 pyrite -21.87 -22.63 -0.76 -0.179 0.12158E+04
145 pyrrhotiteFe0.875 -5.85 -10.16 -4.31 -1.584 0.68942E+04
147 pyrophyllite -4.41 -7.38 -2.97 -0.186 0.47630E+04
153 rhodochrosite -0.58 -3.31 -2.73 -0.910 0.43701E+04
155 sanidine -0.30 -4.08 -3.77 -0.290 0.60432E+04
157 siderite -2.17 -4.60 -2.43 -0.810 0.38908E+04
171 sulfur -9.35 -12.86 -3.50 -1.078 0.56115E+04
172 sylvite 1.33 -2.62 -3.95 -1.973 0.63174E+04
180 topaz-H 6.84 2.01 -4.83 -0.439 0.77275E+04
181 tridymite -2.69 -3.13 -0.44 -0.145 0.69784E+03
198 arsenic -7.79 -12.26 -4.47 -1.153 0.71527E+04
208 chalcedony -2.93 -3.13 -0.20 -0.067 0.32020E+03
209 chalcocite -29.65 -30.91 -1.26 -0.315 0.20174E+04
211 covellite -21.04 -21.88 -0.85 -0.323 0.13595E+04
212 dawsonite 2.66 -0.28 -2.94 -0.368 0.47089E+04
230 gypsum -4.51 -9.01 -4.50 -1.125 0.72049E+04
246 acanthite -30.12 -30.18 -0.06 -0.015 0.97847E+02
252 barite -9.19 -11.70 -2.51 -1.257 0.40238E+04
253 boehmite 5.72 2.57 -3.15 -0.525 0.50463E+04
254 cerussite -2.72 -7.45 -4.72 -1.574 0.75614E+04
255 chalcopyrite -29.67 -31.66 -1.99 -0.370 0.31804E+04
260 fluorite -9.57 -11.06 -1.49 -0.498 0.23935E+04
270 silica-amorphous -2.10 -3.13 -1.03 -0.345 0.16552E+04
274 wurtzite -8.46 -10.42 -1.96 -0.653 0.31350E+04
276 an20ab80 3.64 -1.16 -4.79 -0.369 0.76722E+04
Calculations done for 76.7595 Deg. C; 500.0000 bar
Mixer fraction: 2.5000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 76.759 .49711E+00 1.556
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.1958E+03
New heat: 1.531 New temperature: 75.338
New mixer fraction: 2.6000000
Resulting temperature: 75.338Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 75.34 C Pressure = 500.00 bar Mixer fraction = 2.6000000
Water: Moles liquid = 0.2000E+03 kg liquid = 0.3602E+01
Moles total = 0.1996E+03 kg total = 0.3597E+01 Activity = 0.9858
Stoichiometric ionic strength = .4832886E+00 Osmotic coef. = 0.9261
True ionic strength = .4206153E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22484E-04 -4.6481 0.15533E-04 -4.8087 0.69085E+00 -0.1606
2 H2O 0.98579E+00 -0.0062 0.98579E+00 -0.0062
3 Cl- 0.41206E+00 -0.3850 0.27425E+00 -0.5618 0.66557E+00 -0.1768
4 SO4-- 0.50711E-04 -4.2949 0.99201E-05 -5.0035 0.19562E+00 -0.7086
5 HCO3- 0.74117E-02 -2.1301 0.49373E-02 -2.3065 0.66615E+00 -0.1764
6 HS- 0.48708E-07 -7.3124 0.32417E-07 -7.4892 0.66552E+00 -0.1768
7 H4SiO4 0.69777E-03 -3.1563 0.69777E-03 -3.1563 0.10000E+01 0.0000
8 Al+++ 0.65088E-10 -10.1865 0.16259E-11 -11.7889 0.24981E-01 -1.6024
9 Ca++ 0.53196E-03 -3.2741 0.10047E-03 -3.9980 0.18887E+00 -0.7238
10 Mg++ 0.43364E-04 -4.3629 0.81205E-05 -5.0904 0.18726E+00 -0.7275
11 Fe++ 0.40351E-06 -6.3942 0.75674E-07 -7.1211 0.18754E+00 -0.7269
12 K+ 0.12597E-01 -1.8997 0.83650E-02 -2.0775 0.66403E+00 -0.1778
13 Na+ 0.40612E+00 -0.3914 0.26883E+00 -0.5705 0.66195E+00 -0.1792
14 Mn++ 0.79443E-05 -5.0999 0.14919E-05 -5.8262 0.18780E+00 -0.7263
15 Zn++ 0.94284E-07 -7.0256 0.17682E-07 -7.7525 0.18754E+00 -0.7269
16 Cu+ 0.99870E-14 -14.0006 0.66107E-14 -14.1798 0.66193E+00 -0.1792
17 Pb++ 0.54524E-09 -9.2634 0.10382E-09 -9.9837 0.19042E+00 -0.7203
18 Ag+ 0.23013E-13 -13.6380 0.15268E-13 -13.8162 0.66344E+00 -0.1782
19 Au+ 0.22136E-25 -25.6549 0.14707E-25 -25.8325 0.66439E+00 -0.1776
20 Ba++ 0.10241E-05 -5.9897 0.19624E-06 -6.7072 0.19162E+00 -0.7176
21 F- 0.42590E-03 -3.3707 0.28627E-03 -3.5432 0.67216E+00 -0.1725
22 H2AsO3- 0.60523E-08 -8.2181 0.42734E-08 -8.3692 0.70608E+00 -0.1511
24 HSiO3- 0.65950E-07 -7.1808 0.43894E-07 -7.3576 0.66557E+00 -0.1768
25 Ca(HSiO3)+ 0.95473E-10 -10.0201 0.63432E-10 -10.1977 0.66439E+00 -0.1776
26 Mg(HSiO3)+ 0.10684E-10 -10.9713 0.70985E-11 -11.1488 0.66439E+00 -0.1776
27 NaHSiO3,aq 0.23309E-06 -6.6325 0.23309E-06 -6.6325 0.10000E+01 0.0000
32 AgCl2- 0.67362E-10 -10.1716 0.44834E-10 -10.3484 0.66557E+00 -0.1768
33 AgCl3-2 0.13182E-10 -10.8800 0.25637E-11 -11.5911 0.19448E+00 -0.7111
38 Ag(HS),aq 0.11708E-08 -8.9315 0.11708E-08 -8.9315 0.10000E+01 0.0000
40 AlO+ 0.92982E-10 -10.0316 0.61777E-10 -10.2092 0.66439E+00 -0.1776
41 AlOH+2 0.71622E-10 -10.1450 0.13476E-10 -10.8704 0.18815E+00 -0.7255
42 HAlO2,aq 0.33376E-09 -9.4766 0.33376E-09 -9.4766 0.10000E+01 0.0000
43 AlO2- 0.37943E-10 -10.4209 0.25432E-10 -10.5946 0.67026E+00 -0.1738
44 AsO2- 0.57218E-08 -8.2425 0.38083E-08 -8.4193 0.66557E+00 -0.1768
45 HAsO2,aq 0.16175E-04 -4.7911 0.16175E-04 -4.7911 0.10000E+01 0.0000
46 H3AsO3,aq 0.19800E-04 -4.7033 0.19800E-04 -4.7033 0.10000E+01 0.0000
62 BaCO3,aq 0.12026E-10 -10.9199 0.12026E-10 -10.9199 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.39365E-07 -7.4049 0.26233E-07 -7.5812 0.66640E+00 -0.1763
64 BaCl+ 0.64669E-07 -7.1893 0.42966E-07 -7.3669 0.66439E+00 -0.1776
65 BaF+ 0.10983E-09 -9.9593 0.72973E-10 -10.1368 0.66439E+00 -0.1776
66 CH4,aq 0.19063E-10 -10.7198 0.17736E-10 -10.7511 0.93043E+00 -0.0313
72 CO2,aq 0.89713E-01 -1.0471 0.83471E-01 -1.0785 0.93043E+00 -0.0313
73 CO3-2 0.23061E-06 -6.6371 0.44849E-07 -7.3482 0.19448E+00 -0.7111
74 CaCO3,aq 0.26316E-07 -7.5798 0.26316E-07 -7.5798 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.11833E-04 -4.9269 0.78619E-05 -5.1045 0.66439E+00 -0.1776
76 CaCl+ 0.38480E-04 -4.4148 0.25566E-04 -4.5923 0.66439E+00 -0.1776
77 CaCl2,aq 0.15381E-05 -5.8130 0.15381E-05 -5.8130 0.10000E+01 0.0000
78 CaF+ 0.36210E-06 -6.4412 0.24058E-06 -6.6187 0.66439E+00 -0.1776
79 CaOH+ 0.11176E-09 -9.9517 0.74250E-10 -10.1293 0.66439E+00 -0.1776
80 CaSO4,aq 0.19564E-06 -6.7085 0.19564E-06 -6.7085 0.10000E+01 0.0000
81 HCl,aq 0.91090E-06 -6.0405 0.91090E-06 -6.0405 0.10000E+01 0.0000
90 CuCl,aq 0.12138E-10 -10.9158 0.12138E-10 -10.9158 0.10000E+01 0.0000
91 CuCl2- 0.82609E-10 -10.0830 0.54982E-10 -10.2598 0.66557E+00 -0.1768
98 HF,aq 0.13841E-04 -4.8588 0.13841E-04 -4.8588 0.10000E+01 0.0000
99 HF2- 0.16191E-08 -8.7907 0.10776E-08 -8.9675 0.66557E+00 -0.1768
101 FeCl+ 0.30940E-07 -7.5095 0.20557E-07 -7.6870 0.66439E+00 -0.1776
104 FeF+ 0.11061E-08 -8.9562 0.73489E-09 -9.1338 0.66439E+00 -0.1776
107 FeOH+ 0.86996E-10 -10.0605 0.57800E-10 -10.2381 0.66439E+00 -0.1776
113 H2,aq 0.33864E-09 -9.4703 0.31508E-09 -9.5016 0.93043E+00 -0.0313
114 KCl,aq 0.19547E-04 -4.7089 0.19547E-04 -4.7089 0.10000E+01 0.0000
116 KOH,aq 0.79280E-10 -10.1008 0.79280E-10 -10.1008 0.10000E+01 0.0000
117 KSO4- 0.13817E-05 -5.8596 0.91958E-06 -6.0364 0.66557E+00 -0.1768
118 MgCO3,aq 0.61470E-09 -9.2113 0.61470E-09 -9.2113 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.96758E-06 -6.0143 0.64286E-06 -6.1919 0.66439E+00 -0.1776
120 MgCl+ 0.32354E-05 -5.4901 0.21496E-05 -5.6676 0.66439E+00 -0.1776
121 MgF+ 0.11507E-06 -6.9391 0.76450E-07 -7.1166 0.66439E+00 -0.1776
122 MgOH+ 0.62410E-10 -10.2047 0.41465E-10 -10.3823 0.66439E+00 -0.1776
124 MnF+ 0.67595E-08 -8.1701 0.44909E-08 -8.3477 0.66439E+00 -0.1776
126 MnOH+ 0.13689E-09 -9.8636 0.90946E-10 -10.0412 0.66439E+00 -0.1776
131 MnCl+ 0.16169E-05 -5.7913 0.10743E-05 -5.9689 0.66439E+00 -0.1776
132 MnSO4,aq 0.24646E-08 -8.6083 0.24646E-08 -8.6083 0.10000E+01 0.0000
133 NaCl,aq 0.16868E-01 -1.7729 0.16868E-01 -1.7729 0.10000E+01 0.0000
134 NaF,aq 0.11694E-04 -4.9320 0.11694E-04 -4.9320 0.10000E+01 0.0000
135 NaOH,aq 0.30218E-08 -8.5197 0.30218E-08 -8.5197 0.10000E+01 0.0000
137 OH- 0.27737E-07 -7.5569 0.18591E-07 -7.7307 0.67026E+00 -0.1738
140 PbCl+ 0.17133E-08 -8.7662 0.11383E-08 -8.9437 0.66439E+00 -0.1776
141 PbCl2,aq 0.13634E-08 -8.8654 0.13634E-08 -8.8654 0.10000E+01 0.0000
142 PbCl3- 0.23713E-09 -9.6250 0.15783E-09 -9.8018 0.66557E+00 -0.1768
143 PbCl4-2 0.66181E-10 -10.1793 0.12871E-10 -10.8904 0.19448E+00 -0.7111
150 H2S,aq 0.15341E-05 -5.8141 0.14274E-05 -5.8455 0.93043E+00 -0.0313
159 HSO4- 0.72721E-07 -7.1383 0.48593E-07 -7.3134 0.66821E+00 -0.1751
173 ZnCl+ 0.17176E-06 -6.7651 0.11412E-06 -6.9427 0.66439E+00 -0.1776
174 ZnCl2,aq 0.18656E-07 -7.7292 0.18656E-07 -7.7292 0.10000E+01 0.0000
175 ZnCl3- 0.14626E-08 -8.8349 0.97346E-09 -9.0117 0.66557E+00 -0.1768
176 ZnF+ 0.15298E-09 -9.8154 0.10164E-09 -9.9929 0.66439E+00 -0.1776
178 ZnOH+ 0.18727E-08 -8.7275 0.12442E-08 -8.9051 0.66439E+00 -0.1776
Charge balance for all species = -.3598E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2248414E-04 0.8978678E-01 0.8786920E+02 0.0000
2 H2O 0.1000000E+01 0.5541852E+02 0.9693621E+06 0.0000
3 Cl- 0.4120564E+00 0.4289913E+00 0.1476696E+05 4.2469
4 SO4-- 0.5071128E-04 0.5236365E-04 0.4883929E+01 4.6140
5 HCO3- 0.7411706E-02 0.9713736E-01 0.5754773E+04 2.5022
6 HS- 0.4870840E-07 0.1584097E-05 0.5086650E-01 -2.6805
7 H4SiO4 0.6977687E-03 0.6980679E-03 0.6514487E+02 -3.1563
8 Al+++ 0.6508832E-10 0.6013980E-09 0.1575497E-04 2.6373
9 Ca++ 0.5319591E-03 0.5843941E-03 0.2274057E+02 5.6195
10 Mg++ 0.4336398E-04 0.4768272E-04 0.1125567E+01 4.5271
11 Fe++ 0.4035051E-06 0.4356386E-06 0.2362195E-01 2.4964
12 K+ 0.1259734E-01 0.1261827E-01 0.4790584E+03 2.7312
13 Na+ 0.4061152E+00 0.4229949E+00 0.9441911E+04 4.2382
14 Mn++ 0.7944284E-05 0.9570588E-05 0.5105062E+00 3.7912
15 Zn++ 0.9428410E-07 0.2881890E-06 0.1829134E-01 1.8650
16 Cu+ 0.9987009E-14 0.1007251E-09 0.6214046E-05 -9.3710
17 Pb++ 0.5452372E-09 0.3931781E-08 0.7909475E-03 -0.3662
18 Ag+ 0.2301332E-13 0.1255165E-08 0.1314592E-03 -9.0075
19 Au+ 0.2213569E-25 0.2154846E-12 0.4120968E-07 -21.0237
20 Ba++ 0.1024091E-05 0.1128247E-05 0.1504495E+00 2.9103
21 F- 0.4258958E-03 0.4519190E-03 0.8336008E+01 1.2655
22 H2AsO3- 0.6052302E-08 0.3598708E-04 0.4365387E+01 -3.5605
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234483E+00 -.1310002E-04 0.0000000E+00
2 H2O 0.1996393E+03 0.1996399E+03 -.5916488E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4244371E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5706557E-05 0.8323753E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2514722E-02 0.2970185E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2166478E-08 0.2405112E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569346E-05 0.3395885E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1038173E-05 0.6430003E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.3628524E-09 0.1697943E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1416386E-07 0.1550857E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4521610E-08 0.4226065E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.7762624E-12 0.2334698E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405112E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.371025E+04 g
Temperature = 75.34 C Pressure = 500.00 bar Mixer frac. = 2.6000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2958E-03 -3.529 0.1777E-01 -1.750 93.24 0.6712E-02
argentite 0.2113E-06 -6.675 0.5236E-04 -4.281 0.2747 0.7353E-05
bornite 0.3396E-07 -7.469 0.1704E-04 -4.769 0.8940E-01 0.3352E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.161 0.6196E-04
galena 0.1551E-05 -5.809 0.3710E-03 -3.431 1.947 0.4883E-04
gold,native 0.2335E-11 -11.632 0.4599E-09 -9.337 0.2413E-05 0.2385E-10
silver,native 0.1555E-11 -11.808 0.1677E-09 -9.775 0.8800E-06 0.1597E-10
sphalerite 0.6430E-05 -5.192 0.6265E-03 -3.203 3.287 0.1532E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6002E+00 0.2732E+00 0.4551 -0.564
silver,native 0.3998E+00 0.4471E-01 0.1118 -1.350
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.6000000
Solid products produced: Mass = 0.019061 g Volume = 0.006986 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 75.3380 deg.C
Sat. pressure: 14.2045 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3927E-01 0.9190 0.5126E+00 0.5578E+00
CO2,gas 0.9607E+00 0.9493 0.1295E+02 0.1365E+02
CH4,gas 0.3463E-08 1.0104 0.4970E-07 0.4918E-07
H2,gas 0.4754E-07 1.0081 0.6808E-06 0.6753E-06
H2S,gas 0.4029E-05 0.9366 0.5360E-04 0.5722E-04
S2,gas 0.3355E-18 1.0000 0.4766E-17 0.4766E-17
CO,gas 0.1280E-09 1.0000 0.1818E-08 0.1818E-08
SO3,gas 0.2097E-33 1.0000 0.2978E-32 0.2978E-32
O2,gas 0.5930E-57 1.0000 0.8424E-56 0.8424E-56
SO2,gas 0.2876E-15 1.0000 0.4085E-14 0.4085E-14
HF,gas 0.1036E-08 1.0000 0.1472E-07 0.1472E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.14 -3.14 0.00 0.000 0.00000E+00
197 argentite -30.31 -30.31 0.00 0.000 0.00000E+00
206 bornite -93.84 -93.84 0.00 0.000 0.22661E-10
226 topaz -14.59 -14.59 0.00 0.000 -0.84979E-11
261 galena -12.66 -12.66 0.00 0.000 0.28326E-11
262 gold,native -20.17 -20.17 0.00 0.000 0.00000E+00
263 silver,native -7.37 -7.37 0.00 0.000 -0.28326E-11
273 sphalerite -10.43 -10.43 0.00 0.000 0.28326E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 2.98 -0.01 -2.99 -2.989 0.47666E+04 -0.290
2 CO2,gas -5.52 -7.11 -1.59 -0.529 0.25300E+04 1.112
3 CH4,gas 5.20 -4.80 -10.00 -2.501 0.15950E+05 -7.304
4 H2,gas 9.44 0.57 -8.87 -5.066 0.14138E+05 -6.167
5 H2S,gas -5.33 -12.30 -6.97 -3.485 0.11114E+05 -4.271
6 S2,gas -5.72 -25.75 -20.02 -3.080 0.31926E+05 -17.322
7 CO,gas 4.91 -6.53 -11.44 -3.520 0.18242E+05 -8.740
8 SO3,gas 20.61 -14.61 -35.22 -8.806 0.56171E+05 -32.526
9 O2,gas 57.61 -1.16 -58.77 -39.182 0.93722E+05 -56.074
10 SO2,gas 3.05 -14.03 -17.09 -4.557 0.27249E+05 -14.389
11 HF,gas 2.18 -8.35 -10.53 -5.266 0.16793E+05 -7.832
12 HCl,gas 4.20 -5.37 -9.57 -4.784 0.15259E+05 -9.569
17 albite-high 2.03 -2.57 -4.59 -0.353 0.73263E+04
18 albite 0.81 -2.57 -3.38 -0.260 0.53825E+04
22 analcite 4.69 0.57 -4.12 -0.458 0.65735E+04
26 anhydrite -4.60 -9.00 -4.40 -2.202 0.70212E+04
27 ankerite -1.17 -6.11 -4.94 -0.824 0.78838E+04
34 aragonite 1.48 -1.50 -2.97 -0.991 0.47406E+04
36 calcite 1.34 -1.50 -2.84 -0.945 0.45221E+04
53 coesite -2.51 -3.14 -0.64 -0.212 0.10165E+04
60 cristobalite -2.63 -3.14 -0.52 -0.173 0.82619E+03
65 diaspore 4.09 2.62 -1.46 -0.244 0.23313E+04
66 diamond -3.52 -5.95 -2.43 -0.693 0.38689E+04
83 gibbsite 5.26 2.62 -2.64 -0.377 0.42084E+04
87 graphite -3.97 -5.95 -1.98 -0.565 0.31534E+04
90 halite 1.66 -1.13 -2.80 -1.399 0.44603E+04
96 jadeite 5.44 0.58 -4.86 -0.486 0.77540E+04
99 kaolinite 0.61 -1.04 -1.65 -0.150 0.26337E+04
107 magnesite 1.36 -2.59 -3.95 -1.318 0.63031E+04
117 microcline -1.56 -4.08 -2.51 -0.193 0.40062E+04
121 muscovite 5.90 1.17 -4.72 -0.278 0.75336E+04
143 pyrite -21.93 -22.67 -0.75 -0.176 0.11902E+04
145 pyrrhotiteFe0.875 -5.85 -10.18 -4.33 -1.593 0.69089E+04
147 pyrophyllite -4.33 -7.33 -3.00 -0.187 0.47767E+04
153 rhodochrosite -0.57 -3.32 -2.76 -0.919 0.43985E+04
155 sanidine -0.27 -4.08 -3.81 -0.293 0.60724E+04
157 siderite -2.16 -4.62 -2.46 -0.821 0.39274E+04
171 sulfur -9.37 -12.87 -3.50 -1.077 0.55790E+04
172 sylvite 1.32 -2.64 -3.96 -1.980 0.63160E+04
180 topaz-H 6.96 2.11 -4.85 -0.441 0.77363E+04
181 tridymite -2.71 -3.14 -0.44 -0.146 0.69907E+03
198 arsenic -7.83 -12.30 -4.47 -1.154 0.71298E+04
208 chalcedony -2.94 -3.14 -0.20 -0.067 0.32021E+03
209 chalcocite -29.78 -31.04 -1.26 -0.315 0.20114E+04
211 covellite -21.12 -21.96 -0.84 -0.320 0.13377E+04
212 dawsonite 2.70 -0.25 -2.95 -0.369 0.47121E+04
230 gypsum -4.50 -9.01 -4.52 -1.129 0.72036E+04
246 acanthite -30.25 -30.31 -0.06 -0.015 0.94730E+02
252 barite -9.19 -11.71 -2.52 -1.258 0.40131E+04
253 boehmite 5.80 2.62 -3.17 -0.529 0.50574E+04
254 cerussite -2.73 -7.48 -4.75 -1.584 0.75797E+04
255 chalcopyrite -29.76 -31.76 -1.99 -0.371 0.31806E+04
260 fluorite -9.56 -11.08 -1.52 -0.507 0.24239E+04
270 silica-amorphous -2.10 -3.14 -1.04 -0.347 0.16591E+04
274 wurtzite -8.47 -10.43 -1.97 -0.655 0.31351E+04
276 an20ab80 3.71 -1.14 -4.85 -0.373 0.77321E+04
Calculations done for 75.3380 Deg. C; 500.0000 bar
Mixer fraction: 2.6000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 75.338 .48329E+00 1.531
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2014E+03
New heat: 1.507 New temperature: 73.992
New mixer fraction: 2.7000000
Resulting temperature: 73.992Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 73.99 C Pressure = 500.00 bar Mixer fraction = 2.7000000
Water: Moles liquid = 0.2055E+03 kg liquid = 0.3702E+01
Moles total = 0.2052E+03 kg total = 0.3697E+01 Activity = 0.9862
Stoichiometric ionic strength = .4702147E+00 Osmotic coef. = 0.9259
True ionic strength = .4097728E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22521E-04 -4.6474 0.15609E-04 -4.8066 0.69309E+00 -0.1592
2 H2O 0.98617E+00 -0.0060 0.98617E+00 -0.0060
3 Cl- 0.40144E+00 -0.3964 0.26805E+00 -0.5718 0.66771E+00 -0.1754
4 SO4-- 0.49378E-04 -4.3065 0.98217E-05 -5.0078 0.19891E+00 -0.7013
5 HCO3- 0.72122E-02 -2.1419 0.48195E-02 -2.3170 0.66824E+00 -0.1751
6 HS- 0.46272E-07 -7.3347 0.30894E-07 -7.5101 0.66766E+00 -0.1754
7 H4SiO4 0.67921E-03 -3.1680 0.67921E-03 -3.1680 0.10000E+01 0.0000
8 Al+++ 0.71407E-10 -10.1463 0.18537E-11 -11.7320 0.25959E-01 -1.5857
9 Ca++ 0.51903E-03 -3.2848 0.99743E-04 -4.0011 0.19217E+00 -0.7163
10 Mg++ 0.42288E-04 -4.3738 0.80599E-05 -5.0937 0.19060E+00 -0.7199
11 Fe++ 0.39335E-06 -6.4052 0.75076E-07 -7.1245 0.19087E+00 -0.7193
12 K+ 0.12258E-01 -1.9116 0.81653E-02 -2.0880 0.66612E+00 -0.1764
13 Na+ 0.39566E+00 -0.4027 0.26277E+00 -0.5804 0.66412E+00 -0.1778
14 Mn++ 0.77909E-05 -5.1084 0.14890E-05 -5.8271 0.19112E+00 -0.7187
15 Zn++ 0.94198E-07 -7.0260 0.17979E-07 -7.7452 0.19087E+00 -0.7193
16 Cu+ 0.88947E-14 -14.0509 0.59070E-14 -14.2286 0.66411E+00 -0.1778
17 Pb++ 0.51264E-09 -9.2902 0.99302E-10 -10.0030 0.19371E+00 -0.7129
18 Ag+ 0.20368E-13 -13.6910 0.13556E-13 -13.8679 0.66554E+00 -0.1768
19 Au+ 0.17881E-25 -25.7476 0.11917E-25 -25.9238 0.66648E+00 -0.1762
20 Ba++ 0.10004E-05 -5.9998 0.19498E-06 -6.7100 0.19490E+00 -0.7102
21 F- 0.41504E-03 -3.3819 0.27989E-03 -3.5530 0.67436E+00 -0.1711
22 H2AsO3- 0.55969E-08 -8.2521 0.39601E-08 -8.4023 0.70756E+00 -0.1502
24 HSiO3- 0.62075E-07 -7.2071 0.41448E-07 -7.3825 0.66771E+00 -0.1754
25 Ca(HSiO3)+ 0.87668E-10 -10.0572 0.58429E-10 -10.2334 0.66648E+00 -0.1762
27 NaHSiO3,aq 0.21969E-06 -6.6582 0.21969E-06 -6.6582 0.10000E+01 0.0000
32 AgCl2- 0.58197E-10 -10.2351 0.38859E-10 -10.4105 0.66771E+00 -0.1754
33 AgCl3-2 0.11164E-10 -10.9522 0.22080E-11 -11.6560 0.19777E+00 -0.7038
38 Ag(HS),aq 0.11256E-08 -8.9486 0.11256E-08 -8.9486 0.10000E+01 0.0000
40 AlO+ 0.91831E-10 -10.0370 0.61203E-10 -10.2132 0.66648E+00 -0.1762
41 AlOH+2 0.74295E-10 -10.1290 0.14225E-10 -10.8470 0.19147E+00 -0.7179
42 HAlO2,aq 0.31172E-09 -9.5062 0.31172E-09 -9.5062 0.10000E+01 0.0000
43 AlO2- 0.33799E-10 -10.4711 0.22728E-10 -10.6434 0.67246E+00 -0.1723
44 AsO2- 0.53977E-08 -8.2678 0.36041E-08 -8.4432 0.66771E+00 -0.1754
45 HAsO2,aq 0.15820E-04 -4.8008 0.15820E-04 -4.8008 0.10000E+01 0.0000
46 H3AsO3,aq 0.19184E-04 -4.7171 0.19184E-04 -4.7171 0.10000E+01 0.0000
62 BaCO3,aq 0.11188E-10 -10.9513 0.11188E-10 -10.9513 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.36491E-07 -7.4378 0.24392E-07 -7.6128 0.66844E+00 -0.1749
64 BaCl+ 0.60795E-07 -7.2161 0.40519E-07 -7.3923 0.66648E+00 -0.1762
65 BaF+ 0.10382E-09 -9.9837 0.69196E-10 -10.1599 0.66648E+00 -0.1762
66 CH4,aq 0.17995E-10 -10.7449 0.16763E-10 -10.7756 0.93158E+00 -0.0308
72 CO2,aq 0.87289E-01 -1.0590 0.81316E-01 -1.0898 0.93158E+00 -0.0308
73 CO3-2 0.21944E-06 -6.6587 0.43399E-07 -7.3625 0.19777E+00 -0.7038
74 CaCO3,aq 0.24499E-07 -7.6108 0.24499E-07 -7.6108 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.11217E-04 -4.9501 0.74755E-05 -5.1264 0.66648E+00 -0.1762
76 CaCl+ 0.36375E-04 -4.4392 0.24243E-04 -4.6154 0.66648E+00 -0.1762
77 CaCl2,aq 0.14354E-05 -5.8430 0.14354E-05 -5.8430 0.10000E+01 0.0000
78 CaF+ 0.34242E-06 -6.4654 0.22821E-06 -6.6417 0.66648E+00 -0.1762
79 CaOH+ 0.99549E-10 -10.0020 0.66347E-10 -10.1782 0.66648E+00 -0.1762
80 CaSO4,aq 0.18896E-06 -6.7236 0.18896E-06 -6.7236 0.10000E+01 0.0000
81 HCl,aq 0.89349E-06 -6.0489 0.89349E-06 -6.0489 0.10000E+01 0.0000
90 CuCl,aq 0.10718E-10 -10.9699 0.10718E-10 -10.9699 0.10000E+01 0.0000
91 CuCl2- 0.71138E-10 -10.1479 0.47500E-10 -10.3233 0.66771E+00 -0.1754
98 HF,aq 0.13212E-04 -4.8790 0.13212E-04 -4.8790 0.10000E+01 0.0000
99 HF2- 0.14995E-08 -8.8241 0.10012E-08 -8.9995 0.66771E+00 -0.1754
101 FeCl+ 0.29389E-07 -7.5318 0.19587E-07 -7.7080 0.66648E+00 -0.1762
104 FeF+ 0.10544E-08 -8.9770 0.70275E-09 -9.1532 0.66648E+00 -0.1762
107 FeOH+ 0.80036E-10 -10.0967 0.53342E-10 -10.2729 0.66648E+00 -0.1762
113 H2,aq 0.30871E-09 -9.5104 0.28759E-09 -9.5412 0.93158E+00 -0.0308
114 KCl,aq 0.18066E-04 -4.7431 0.18066E-04 -4.7431 0.10000E+01 0.0000
116 KOH,aq 0.71580E-10 -10.1452 0.71580E-10 -10.1452 0.10000E+01 0.0000
117 KSO4- 0.13112E-05 -5.8823 0.87547E-06 -6.0578 0.66771E+00 -0.1754
118 MgCO3,aq 0.57782E-09 -9.2382 0.57782E-09 -9.2382 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.91636E-06 -6.0379 0.61073E-06 -6.2142 0.66648E+00 -0.1762
120 MgCl+ 0.30808E-05 -5.5113 0.20533E-05 -5.6876 0.66648E+00 -0.1762
121 MgF+ 0.10920E-06 -6.9618 0.72776E-07 -7.1380 0.66648E+00 -0.1762
122 MgOH+ 0.56340E-10 -10.2492 0.37549E-10 -10.4254 0.66648E+00 -0.1762
124 MnF+ 0.64628E-08 -8.1896 0.43073E-08 -8.3658 0.66648E+00 -0.1762
126 MnOH+ 0.12552E-09 -9.9013 0.83655E-10 -10.0775 0.66648E+00 -0.1762
131 MnCl+ 0.15122E-05 -5.8204 0.10079E-05 -5.9966 0.66648E+00 -0.1762
132 MnSO4,aq 0.23806E-08 -8.6233 0.23806E-08 -8.6233 0.10000E+01 0.0000
133 NaCl,aq 0.15899E-01 -1.7986 0.15899E-01 -1.7986 0.10000E+01 0.0000
134 NaF,aq 0.11001E-04 -4.9586 0.11001E-04 -4.9586 0.10000E+01 0.0000
135 NaOH,aq 0.27539E-08 -8.5601 0.27539E-08 -8.5601 0.10000E+01 0.0000
137 OH- 0.25892E-07 -7.5868 0.17411E-07 -7.7592 0.67246E+00 -0.1723
140 PbCl+ 0.15695E-08 -8.8042 0.10461E-08 -8.9804 0.66648E+00 -0.1762
141 PbCl2,aq 0.12111E-08 -8.9168 0.12111E-08 -8.9168 0.10000E+01 0.0000
142 PbCl3- 0.20436E-09 -9.6896 0.13645E-09 -9.8650 0.66771E+00 -0.1754
143 PbCl4-2 0.55360E-10 -10.2568 0.10949E-10 -10.9606 0.19777E+00 -0.7038
150 H2S,aq 0.14861E-05 -5.8280 0.13844E-05 -5.8587 0.93158E+00 -0.0308
159 HSO4- 0.69006E-07 -7.1611 0.46250E-07 -7.3349 0.67023E+00 -0.1738
173 ZnCl+ 0.15862E-06 -6.7996 0.10572E-06 -6.9759 0.66648E+00 -0.1762
174 ZnCl2,aq 0.16987E-07 -7.7699 0.16987E-07 -7.7699 0.10000E+01 0.0000
175 ZnCl3- 0.13163E-08 -8.8806 0.87893E-09 -9.0560 0.66771E+00 -0.1754
176 ZnF+ 0.14911E-09 -9.8265 0.99375E-10 -10.0027 0.66648E+00 -0.1762
178 ZnOH+ 0.17128E-08 -8.7663 0.11416E-08 -8.9425 0.66648E+00 -0.1762
Charge balance for all species = -.3501E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2252124E-04 0.8736170E-01 0.8556309E+02 0.0000
2 H2O 0.1000000E+01 0.5542095E+02 0.9701661E+06 0.0000
3 Cl- 0.4014421E+00 0.4174045E+00 0.1437940E+05 4.2348
4 SO4-- 0.4937793E-04 0.5094934E-04 0.4755750E+01 4.6054
5 HCO3- 0.7212247E-02 0.9451373E-01 0.5603739E+04 2.4896
6 HS- 0.4627158E-07 0.1533601E-05 0.4928373E-01 -2.7035
7 H4SiO4 0.6792055E-03 0.6794874E-03 0.6346073E+02 -3.1680
8 Al+++ 0.7140746E-10 0.5830500E-09 0.1528631E-04 2.6879
9 Ca++ 0.5190269E-03 0.5686099E-03 0.2214375E+02 5.6121
10 Mg++ 0.4228786E-04 0.4639484E-04 0.1096026E+01 4.5196
11 Fe++ 0.3933466E-06 0.4238700E-06 0.2300188E-01 2.4887
12 K+ 0.1225808E-01 0.1227746E-01 0.4664855E+03 2.7186
13 Na+ 0.3956595E+00 0.4115700E+00 0.9194108E+04 4.2262
14 Mn++ 0.7790897E-05 0.9312091E-05 0.4971080E+00 3.7861
15 Zn++ 0.9419760E-07 0.2729816E-06 0.1733974E-01 1.8680
16 Cu+ 0.8894737E-14 0.8689498E-10 0.5365035E-05 -9.4220
17 Pb++ 0.5126359E-09 0.3559048E-08 0.7165283E-03 -0.3898
18 Ag+ 0.2036831E-13 0.1198241E-08 0.1255959E-03 -9.0613
19 Au+ 0.1788138E-25 0.1988800E-12 0.3806407E-07 -21.1172
20 Ba++ 0.1000372E-05 0.1097773E-05 0.1465009E+00 2.9032
21 F- 0.4150378E-03 0.4397129E-03 0.8117229E+01 1.2536
22 H2AsO3- 0.5596880E-08 0.3501509E-04 0.4250818E+01 -3.5957
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234483E+00 -.1312858E-04 0.0000000E+00
2 H2O 0.2051901E+03 0.2051907E+03 -.5896206E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4245392E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5678011E-05 0.8352300E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2515737E-02 0.2960044E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2158686E-08 0.2405120E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569338E-05 0.3396708E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.1010688E-05 0.6457488E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.3217203E-09 0.1698354E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1317703E-07 0.1551844E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4436373E-08 0.4226917E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.7363340E-12 0.2374627E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405120E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.3388E-20 Mass of aqueous solution: 0.381025E+04 g
Temperature = 73.99 C Pressure = 500.00 bar Mixer frac. = 2.7000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2948E-03 -3.530 0.1771E-01 -1.752 93.21 0.6689E-02
argentite 0.2113E-06 -6.675 0.5237E-04 -4.281 0.2756 0.7354E-05
bornite 0.3397E-07 -7.469 0.1704E-04 -4.768 0.8970E-01 0.3353E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.165 0.6196E-04
galena 0.1552E-05 -5.809 0.3713E-03 -3.430 1.954 0.4887E-04
gold,native 0.2375E-11 -11.624 0.4677E-09 -9.330 0.2461E-05 0.2426E-10
silver,native 0.1570E-11 -11.804 0.1693E-09 -9.771 0.8911E-06 0.1613E-10
sphalerite 0.6457E-05 -5.190 0.6292E-03 -3.201 3.311 0.1539E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6020E+00 0.2752E+00 0.4571 -0.560
silver,native 0.3980E+00 0.4358E-01 0.1095 -1.361
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.7000000
Solid products produced: Mass = 0.019003 g Volume = 0.006964 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 73.9925 deg.C
Sat. pressure: 13.5886 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3875E-01 0.9221 0.4856E+00 0.5266E+00
CO2,gas 0.9612E+00 0.9507 0.1242E+02 0.1306E+02
CH4,gas 0.3412E-08 1.0099 0.4682E-07 0.4636E-07
H2,gas 0.4557E-07 1.0078 0.6240E-06 0.6192E-06
H2S,gas 0.4019E-05 0.9387 0.5126E-04 0.5461E-04
S2,gas 0.3046E-18 1.0000 0.4139E-17 0.4139E-17
CO,gas 0.1176E-09 1.0000 0.1598E-08 0.1598E-08
SO3,gas 0.1582E-33 1.0000 0.2150E-32 0.2150E-32
O2,gas 0.3479E-57 1.0000 0.4728E-56 0.4728E-56
SO2,gas 0.2540E-15 1.0000 0.3452E-14 0.3452E-14
HF,gas 0.9727E-09 1.0000 0.1322E-07 0.1322E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.16 -3.16 0.00 0.000 0.00000E+00
197 argentite -30.44 -30.44 0.00 0.000 -0.56434E-11
206 bornite -94.17 -94.17 0.00 0.000 0.45147E-10
226 topaz -14.51 -14.51 0.00 0.000 -0.56434E-11
261 galena -12.71 -12.71 0.00 0.000 0.56434E-11
262 gold,native -20.27 -20.27 0.00 0.000 0.00000E+00
263 silver,native -7.42 -7.42 0.00 0.000 -0.14108E-11
273 sphalerite -10.45 -10.45 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.01 -0.01 -3.01 -3.013 0.47856E+04 -0.314
2 CO2,gas -5.51 -7.12 -1.60 -0.535 0.25493E+04 1.094
3 CH4,gas 5.20 -4.83 -10.03 -2.507 0.15930E+05 -7.330
4 H2,gas 9.47 0.57 -8.90 -5.088 0.14143E+05 -6.205
5 H2S,gas -5.33 -12.32 -6.99 -3.495 0.11102E+05 -4.290
6 S2,gas -5.69 -25.77 -20.08 -3.090 0.31900E+05 -17.383
7 CO,gas 4.95 -6.54 -11.50 -3.537 0.18260E+05 -8.796
8 SO3,gas 20.75 -14.62 -35.37 -8.842 0.56179E+05 -32.668
9 O2,gas 57.87 -1.15 -59.02 -39.350 0.93758E+05 -56.325
10 SO2,gas 3.12 -14.04 -17.16 -4.576 0.27259E+05 -14.462
11 HF,gas 2.22 -8.36 -10.58 -5.289 0.16802E+05 -7.879
12 HCl,gas 4.24 -5.38 -9.62 -4.812 0.15286E+05 -9.623
17 albite-high 2.08 -2.57 -4.64 -0.357 0.73772E+04
18 albite 0.85 -2.57 -3.42 -0.263 0.54282E+04
22 analcite 4.75 0.58 -4.17 -0.463 0.66164E+04
26 anhydrite -4.58 -9.01 -4.43 -2.216 0.70406E+04
34 aragonite 1.50 -1.51 -3.01 -1.003 0.47780E+04
36 calcite 1.36 -1.51 -2.87 -0.957 0.45603E+04
53 coesite -2.52 -3.16 -0.64 -0.213 0.10159E+04
60 cristobalite -2.63 -3.16 -0.52 -0.174 0.82853E+03
65 diaspore 4.15 2.68 -1.47 -0.245 0.23363E+04
66 diamond -3.54 -5.97 -2.42 -0.692 0.38467E+04
83 gibbsite 5.32 2.67 -2.65 -0.378 0.42061E+04
87 graphite -3.99 -5.97 -1.97 -0.563 0.31323E+04
90 halite 1.67 -1.15 -2.82 -1.409 0.44764E+04
96 jadeite 5.49 0.59 -4.90 -0.490 0.77893E+04
99 kaolinite 0.69 -0.97 -1.66 -0.151 0.26358E+04
107 magnesite 1.39 -2.60 -4.00 -1.333 0.63507E+04
117 microcline -1.53 -4.07 -2.54 -0.195 0.40338E+04
121 muscovite 6.05 1.28 -4.77 -0.281 0.75748E+04
143 pyrite -21.98 -22.71 -0.73 -0.173 0.11674E+04
145 pyrrhotiteFe0.875 -5.85 -10.21 -4.36 -1.603 0.69234E+04
147 pyrophyllite -4.26 -7.27 -3.01 -0.188 0.47889E+04
153 rhodochrosite -0.55 -3.34 -2.79 -0.929 0.44261E+04
155 sanidine -0.23 -4.07 -3.84 -0.295 0.61001E+04
157 siderite -2.14 -4.63 -2.49 -0.832 0.39625E+04
171 sulfur -9.39 -12.89 -3.49 -1.075 0.55484E+04
172 sylvite 1.32 -2.66 -3.98 -1.988 0.63154E+04
180 topaz-H 7.07 2.20 -4.87 -0.443 0.77436E+04
181 tridymite -2.72 -3.16 -0.44 -0.147 0.70013E+03
198 arsenic -7.86 -12.34 -4.48 -1.155 0.71085E+04
208 chalcedony -2.95 -3.16 -0.20 -0.067 0.32012E+03
209 chalcocite -29.90 -31.16 -1.26 -0.316 0.20052E+04
211 covellite -21.19 -22.02 -0.83 -0.316 0.13171E+04
212 dawsonite 2.75 -0.22 -2.97 -0.371 0.47151E+04
230 gypsum -4.49 -9.02 -4.53 -1.134 0.72028E+04
246 acanthite -30.38 -30.44 -0.06 -0.014 0.91830E+02
252 barite -9.20 -11.72 -2.52 -1.260 0.40038E+04
253 boehmite 5.87 2.68 -3.19 -0.532 0.50673E+04
254 cerussite -2.73 -7.51 -4.78 -1.594 0.75963E+04
255 chalcopyrite -29.85 -31.85 -2.00 -0.373 0.31817E+04
260 fluorite -9.56 -11.11 -1.54 -0.515 0.24535E+04
270 silica-amorphous -2.11 -3.16 -1.05 -0.349 0.16623E+04
274 wurtzite -8.48 -10.45 -1.97 -0.658 0.31351E+04
276 an20ab80 3.78 -1.12 -4.90 -0.377 0.77882E+04
Calculations done for 73.9925 Deg. C; 500.0000 bar
Mixer fraction: 2.7000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 73.992 .47021E+00 1.507
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2069E+03
New heat: 1.484 New temperature: 72.716
New mixer fraction: 2.8000000
Resulting temperature: 72.716Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 72.72 C Pressure = 500.00 bar Mixer fraction = 2.8000000
Water: Moles liquid = 0.2111E+03 kg liquid = 0.3802E+01
Moles total = 0.2107E+03 kg total = 0.3797E+01 Activity = 0.9865
Stoichiometric ionic strength = .4578295E+00 Osmotic coef. = 0.9257
True ionic strength = .3994685E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22551E-04 -4.6468 0.15678E-04 -4.8047 0.69523E+00 -0.1579
2 H2O 0.98653E+00 -0.0059 0.98653E+00 -0.0059
3 Cl- 0.39135E+00 -0.4074 0.26213E+00 -0.5815 0.66981E+00 -0.1740
4 SO4-- 0.48113E-04 -4.3177 0.97241E-05 -5.0122 0.20211E+00 -0.6944
5 HCO3- 0.70233E-02 -2.1535 0.47076E-02 -2.3272 0.67028E+00 -0.1737
6 HS- 0.44052E-07 -7.3560 0.29504E-07 -7.5301 0.66975E+00 -0.1741
7 H4SiO4 0.66204E-03 -3.1791 0.66204E-03 -3.1791 0.10000E+01 0.0000
8 Al+++ 0.77987E-10 -10.1080 0.21001E-11 -11.6778 0.26929E-01 -1.5698
9 Ca++ 0.50669E-03 -3.2953 0.99002E-04 -4.0044 0.19539E+00 -0.7091
10 Mg++ 0.41264E-04 -4.3844 0.79985E-05 -5.0970 0.19384E+00 -0.7126
11 Fe++ 0.38368E-06 -6.4160 0.74473E-07 -7.1280 0.19410E+00 -0.7120
12 K+ 0.11937E-01 -1.9231 0.79757E-02 -2.0982 0.66818E+00 -0.1751
13 Na+ 0.38572E+00 -0.4137 0.25699E+00 -0.5901 0.66625E+00 -0.1764
14 Mn++ 0.76415E-05 -5.1168 0.14851E-05 -5.8282 0.19435E+00 -0.7114
15 Zn++ 0.94089E-07 -7.0265 0.18263E-07 -7.7384 0.19410E+00 -0.7120
16 Cu+ 0.79644E-14 -14.0988 0.53062E-14 -14.2752 0.66624E+00 -0.1764
17 Pb++ 0.48322E-09 -9.3159 0.95152E-10 -10.0216 0.19691E+00 -0.7057
18 Ag+ 0.18127E-13 -13.7417 0.12102E-13 -13.9171 0.66762E+00 -0.1755
19 Au+ 0.14581E-25 -25.8362 0.97478E-26 -26.0111 0.66852E+00 -0.1749
20 Ba++ 0.97762E-06 -6.0098 0.19367E-06 -6.7129 0.19810E+00 -0.7031
21 F- 0.40471E-03 -3.3929 0.27379E-03 -3.5626 0.67650E+00 -0.1697
22 H2AsO3- 0.51925E-08 -8.2846 0.36816E-08 -8.4340 0.70904E+00 -0.1493
24 HSiO3- 0.58595E-07 -7.2321 0.39248E-07 -7.4062 0.66981E+00 -0.1740
25 Ca(HSiO3)+ 0.80794E-10 -10.0926 0.54013E-10 -10.2675 0.66852E+00 -0.1749
27 NaHSiO3,aq 0.20757E-06 -6.6828 0.20757E-06 -6.6828 0.10000E+01 0.0000
32 AgCl2- 0.50573E-10 -10.2961 0.33875E-10 -10.4701 0.66981E+00 -0.1740
38 Ag(HS),aq 0.10838E-08 -8.9650 0.10838E-08 -8.9650 0.10000E+01 0.0000
40 AlO+ 0.90771E-10 -10.0421 0.60682E-10 -10.2169 0.66852E+00 -0.1749
41 AlOH+2 0.76943E-10 -10.1138 0.14980E-10 -10.8245 0.19469E+00 -0.7107
42 HAlO2,aq 0.29223E-09 -9.5343 0.29223E-09 -9.5343 0.10000E+01 0.0000
43 AlO2- 0.30292E-10 -10.5187 0.20435E-10 -10.6896 0.67459E+00 -0.1710
44 AsO2- 0.51034E-08 -8.2921 0.34183E-08 -8.4662 0.66981E+00 -0.1740
45 HAsO2,aq 0.15480E-04 -4.8102 0.15480E-04 -4.8102 0.10000E+01 0.0000
46 H3AsO3,aq 0.18604E-04 -4.7304 0.18604E-04 -4.7304 0.10000E+01 0.0000
62 BaCO3,aq 0.10435E-10 -10.9815 0.10435E-10 -10.9815 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.33912E-07 -7.4696 0.22736E-07 -7.6433 0.67044E+00 -0.1736
64 BaCl+ 0.57262E-07 -7.2421 0.38281E-07 -7.4170 0.66852E+00 -0.1749
65 BaF+ 0.98296E-10 -10.0075 0.65713E-10 -10.1823 0.66852E+00 -0.1749
66 CH4,aq 0.17030E-10 -10.7688 0.15884E-10 -10.7990 0.93269E+00 -0.0303
72 CO2,aq 0.84993E-01 -1.0706 0.79272E-01 -1.1009 0.93269E+00 -0.0303
73 CO3-2 0.20920E-06 -6.6794 0.42046E-07 -7.3763 0.20099E+00 -0.6968
74 CaCO3,aq 0.22868E-07 -7.6408 0.22868E-07 -7.6408 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.10649E-04 -4.9727 0.71191E-05 -5.1476 0.66852E+00 -0.1749
76 CaCl+ 0.34444E-04 -4.4629 0.23026E-04 -4.6378 0.66852E+00 -0.1749
77 CaCl2,aq 0.13422E-05 -5.8722 0.13422E-05 -5.8722 0.10000E+01 0.0000
78 CaF+ 0.32433E-06 -6.4890 0.21682E-06 -6.6639 0.66852E+00 -0.1749
79 CaOH+ 0.89124E-10 -10.0500 0.59582E-10 -10.2249 0.66852E+00 -0.1749
80 CaSO4,aq 0.18264E-06 -6.7384 0.18264E-06 -6.7384 0.10000E+01 0.0000
81 HCl,aq 0.87670E-06 -6.0572 0.87670E-06 -6.0572 0.10000E+01 0.0000
91 CuCl2- 0.61632E-10 -10.2102 0.41282E-10 -10.3842 0.66981E+00 -0.1740
98 HF,aq 0.12631E-04 -4.8986 0.12631E-04 -4.8986 0.10000E+01 0.0000
99 HF2- 0.13918E-08 -8.8564 0.93226E-09 -9.0305 0.66981E+00 -0.1740
101 FeCl+ 0.27957E-07 -7.5535 0.18690E-07 -7.7284 0.66852E+00 -0.1749
104 FeF+ 0.10064E-08 -8.9972 0.67283E-09 -9.1721 0.66852E+00 -0.1749
107 FeOH+ 0.73893E-10 -10.1314 0.49399E-10 -10.3063 0.66852E+00 -0.1749
113 H2,aq 0.28270E-09 -9.5487 0.26367E-09 -9.5789 0.93269E+00 -0.0303
114 KCl,aq 0.16743E-04 -4.7762 0.16743E-04 -4.7762 0.10000E+01 0.0000
116 KOH,aq 0.64920E-10 -10.1876 0.64920E-10 -10.1876 0.10000E+01 0.0000
117 KSO4- 0.12462E-05 -5.9044 0.83472E-06 -6.0785 0.66981E+00 -0.1740
118 MgCO3,aq 0.54433E-09 -9.2641 0.54433E-09 -9.2641 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.86921E-06 -6.0609 0.58109E-06 -6.2358 0.66852E+00 -0.1749
120 MgCl+ 0.29374E-05 -5.5320 0.19638E-05 -5.7069 0.66852E+00 -0.1749
121 MgF+ 0.10378E-06 -6.9839 0.69376E-07 -7.1588 0.66852E+00 -0.1749
122 MgOH+ 0.51086E-10 -10.2917 0.34152E-10 -10.4666 0.66852E+00 -0.1749
124 MnF+ 0.61848E-08 -8.2087 0.41347E-08 -8.3836 0.66852E+00 -0.1749
126 MnOH+ 0.11550E-09 -9.9374 0.77213E-10 -10.1123 0.66852E+00 -0.1749
131 MnCl+ 0.14171E-05 -5.8486 0.94738E-06 -6.0235 0.66852E+00 -0.1749
132 MnSO4,aq 0.23008E-08 -8.6381 0.23008E-08 -8.6381 0.10000E+01 0.0000
133 NaCl,aq 0.15014E-01 -1.8235 0.15014E-01 -1.8235 0.10000E+01 0.0000
134 NaF,aq 0.10369E-04 -4.9843 0.10369E-04 -4.9843 0.10000E+01 0.0000
135 NaOH,aq 0.25198E-08 -8.5986 0.25198E-08 -8.5986 0.10000E+01 0.0000
137 OH- 0.24248E-07 -7.6153 0.16358E-07 -7.7863 0.67459E+00 -0.1710
140 PbCl+ 0.14427E-08 -8.8408 0.96448E-09 -9.0157 0.66852E+00 -0.1749
141 PbCl2,aq 0.10807E-08 -8.9663 0.10807E-08 -8.9663 0.10000E+01 0.0000
142 PbCl3- 0.17707E-09 -9.7519 0.11860E-09 -9.9259 0.66981E+00 -0.1740
143 PbCl4-2 0.46603E-10 -10.3316 0.93665E-11 -11.0284 0.20099E+00 -0.6968
150 H2S,aq 0.14414E-05 -5.8412 0.13444E-05 -5.8715 0.93269E+00 -0.0303
159 HSO4- 0.65598E-07 -7.1831 0.44097E-07 -7.3556 0.67223E+00 -0.1725
173 ZnCl+ 0.14693E-06 -6.8329 0.98225E-07 -7.0078 0.66852E+00 -0.1749
174 ZnCl2,aq 0.15520E-07 -7.8091 0.15520E-07 -7.8091 0.10000E+01 0.0000
175 ZnCl3- 0.11888E-08 -8.9249 0.79627E-09 -9.0989 0.66981E+00 -0.1740
176 ZnF+ 0.14540E-09 -9.8374 0.97201E-10 -10.0123 0.66852E+00 -0.1749
178 ZnOH+ 0.15730E-08 -8.8033 0.10516E-08 -8.9782 0.66852E+00 -0.1749
Charge balance for all species = -.3409E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2255118E-04 0.8506417E-01 0.8337492E+02 0.0000
2 H2O 0.1000000E+01 0.5542324E+02 0.9709290E+06 0.0000
3 Cl- 0.3913541E+00 0.4064271E+00 0.1401167E+05 4.2232
4 SO4-- 0.4811276E-04 0.4960941E-04 0.4634128E+01 4.5973
5 HCO3- 0.7023271E-02 0.9202810E-01 0.5460430E+04 2.4775
6 HS- 0.4405206E-07 0.1486665E-05 0.4781097E-01 -2.7254
7 H4SiO4 0.6620395E-03 0.6623057E-03 0.6190213E+02 -3.1791
8 Al+++ 0.7798686E-10 0.5682208E-09 0.1490861E-04 2.7364
9 Ca++ 0.5066911E-03 0.5536560E-03 0.2157745E+02 5.6051
10 Mg++ 0.4126365E-04 0.4517469E-04 0.1067997E+01 4.5124
11 Fe++ 0.3836839E-06 0.4127208E-06 0.2241353E-01 2.4814
12 K+ 0.1193658E-01 0.1195457E-01 0.4545557E+03 2.7065
13 Na+ 0.3857218E+00 0.4007461E+00 0.8958979E+04 4.2146
14 Mn++ 0.7641476E-05 0.9067192E-05 0.4843951E+00 3.7812
15 Zn++ 0.9408891E-07 0.2594448E-06 0.1649216E-01 1.8710
16 Cu+ 0.7964401E-14 0.7542105E-10 0.4660085E-05 -9.4705
17 Pb++ 0.4832216E-09 0.3235930E-08 0.6519614E-03 -0.4122
18 Ag+ 0.1812715E-13 0.1146856E-08 0.1202995E-03 -9.1124
19 Au+ 0.1458104E-25 0.1841411E-12 0.3526942E-07 -21.2064
20 Ba++ 0.9776193E-06 0.1068903E-05 0.1427543E+00 2.8965
21 F- 0.4047109E-03 0.4281489E-03 0.7909641E+01 1.2421
22 H2AsO3- 0.5192463E-08 0.3409422E-04 0.4142108E+01 -3.6293
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234483E+00 -.1315368E-04 0.0000000E+00
2 H2O 0.2107410E+03 0.2107415E+03 -.5843862E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4246259E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5652899E-05 0.8377412E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2518354E-02 0.2933872E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2160605E-08 0.2405118E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569331E-05 0.3397407E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.9865137E-06 0.6481663E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.2867813E-09 0.1698703E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1230431E-07 0.1552716E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4360811E-08 0.4227673E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.7001789E-12 0.2410782E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405118E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.2541E-20 Mass of aqueous solution: 0.391025E+04 g
Temperature = 72.72 C Pressure = 500.00 bar Mixer frac. = 2.8000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2922E-03 -3.534 0.1755E-01 -1.756 93.14 0.6629E-02
argentite 0.2114E-06 -6.675 0.5238E-04 -4.281 0.2779 0.7356E-05
bornite 0.3397E-07 -7.469 0.1705E-04 -4.768 0.9045E-01 0.3354E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.174 0.6196E-04
galena 0.1553E-05 -5.809 0.3715E-03 -3.430 1.971 0.4889E-04
gold,native 0.2411E-11 -11.618 0.4749E-09 -9.323 0.2519E-05 0.2463E-10
silver,native 0.1583E-11 -11.801 0.1707E-09 -9.768 0.9057E-06 0.1626E-10
sphalerite 0.6482E-05 -5.188 0.6315E-03 -3.200 3.350 0.1544E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6037E+00 0.2770E+00 0.4589 -0.557
silver,native 0.3963E+00 0.4253E-01 0.1073 -1.371
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.8000000
Solid products produced: Mass = 0.018848 g Volume = 0.006905 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 72.7162 deg.C
Sat. pressure: 13.0190 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3828E-01 0.9250 0.4611E+00 0.4984E+00
CO2,gas 0.9617E+00 0.9521 0.1192E+02 0.1252E+02
CH4,gas 0.3365E-08 1.0095 0.4423E-07 0.4381E-07
H2,gas 0.4379E-07 1.0075 0.5744E-06 0.5701E-06
H2S,gas 0.4011E-05 0.9406 0.4912E-04 0.5223E-04
S2,gas 0.2777E-18 1.0000 0.3615E-17 0.3615E-17
CO,gas 0.1085E-09 1.0000 0.1412E-08 0.1412E-08
SO3,gas 0.1210E-33 1.0000 0.1575E-32 0.1575E-32
O2,gas 0.2093E-57 1.0000 0.2725E-56 0.2725E-56
SO2,gas 0.2257E-15 1.0000 0.2938E-14 0.2938E-14
HF,gas 0.9157E-09 1.0000 0.1192E-07 0.1192E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.17 -3.17 0.00 0.000 0.00000E+00
197 argentite -30.56 -30.56 0.00 0.000 0.00000E+00
206 bornite -94.49 -94.49 0.00 0.000 0.00000E+00
226 topaz -14.44 -14.44 0.00 0.000 0.28113E-11
261 galena -12.75 -12.75 0.00 0.000 0.28113E-11
262 gold,native -20.37 -20.37 0.00 0.000 -0.56226E-11
263 silver,native -7.46 -7.46 0.00 0.000 -0.14057E-11
273 sphalerite -10.46 -10.46 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.03 -0.01 -3.04 -3.035 0.48036E+04 -0.336
2 CO2,gas -5.50 -7.13 -1.62 -0.541 0.25681E+04 1.076
3 CH4,gas 5.20 -4.85 -10.05 -2.513 0.15911E+05 -7.354
4 H2,gas 9.51 0.57 -8.94 -5.108 0.14148E+05 -6.241
5 H2S,gas -5.33 -12.33 -7.01 -3.504 0.11091E+05 -4.309
6 S2,gas -5.66 -25.80 -20.14 -3.099 0.31875E+05 -17.442
7 CO,gas 4.99 -6.55 -11.55 -3.554 0.18278E+05 -8.850
8 SO3,gas 20.89 -14.62 -35.50 -8.875 0.56186E+05 -32.803
9 O2,gas 58.12 -1.14 -59.26 -39.509 0.93792E+05 -56.565
10 SO2,gas 3.19 -14.04 -17.23 -4.595 0.27270E+05 -14.532
11 HF,gas 2.26 -8.37 -10.62 -5.311 0.16812E+05 -7.924
12 HCl,gas 4.29 -5.39 -9.68 -4.838 0.15312E+05 -9.675
17 albite-high 2.13 -2.56 -4.69 -0.361 0.74251E+04
18 albite 0.89 -2.56 -3.46 -0.266 0.54711E+04
22 analcite 4.80 0.60 -4.21 -0.467 0.66566E+04
26 anhydrite -4.56 -9.02 -4.46 -2.230 0.70595E+04
34 aragonite 1.51 -1.53 -3.04 -1.014 0.48138E+04
36 calcite 1.38 -1.53 -2.90 -0.968 0.45969E+04
53 coesite -2.53 -3.17 -0.64 -0.214 0.10153E+04
60 cristobalite -2.64 -3.17 -0.52 -0.175 0.83074E+03
65 diaspore 4.20 2.72 -1.48 -0.246 0.23406E+04
66 diamond -3.57 -5.98 -2.42 -0.691 0.38259E+04
83 gibbsite 5.37 2.72 -2.66 -0.379 0.42034E+04
87 graphite -4.02 -5.98 -1.97 -0.562 0.31126E+04
90 halite 1.67 -1.17 -2.84 -1.419 0.44922E+04
96 jadeite 5.55 0.60 -4.94 -0.494 0.78224E+04
99 kaolinite 0.77 -0.89 -1.67 -0.151 0.26370E+04
107 magnesite 1.42 -2.62 -4.04 -1.347 0.63960E+04
117 microcline -1.51 -4.07 -2.57 -0.197 0.40595E+04
121 muscovite 6.19 1.38 -4.81 -0.283 0.76125E+04
143 pyrite -22.03 -22.75 -0.72 -0.170 0.11461E+04
145 pyrrhotiteFe0.875 -5.85 -10.23 -4.38 -1.612 0.69372E+04
147 pyrophyllite -4.19 -7.22 -3.03 -0.190 0.47995E+04
153 rhodochrosite -0.54 -3.35 -2.81 -0.938 0.44528E+04
155 sanidine -0.20 -4.07 -3.87 -0.298 0.61259E+04
157 siderite -2.13 -4.65 -2.53 -0.842 0.39961E+04
171 sulfur -9.41 -12.90 -3.49 -1.073 0.55196E+04
172 sylvite 1.31 -2.68 -3.99 -1.995 0.63154E+04
180 topaz-H 7.18 2.28 -4.90 -0.445 0.77496E+04
181 tridymite -2.72 -3.17 -0.44 -0.148 0.70111E+03
198 arsenic -7.89 -12.37 -4.48 -1.156 0.70886E+04
208 chalcedony -2.97 -3.17 -0.20 -0.067 0.32001E+03
209 chalcocite -30.01 -31.28 -1.26 -0.316 0.19992E+04
211 covellite -21.27 -22.09 -0.82 -0.312 0.12976E+04
212 dawsonite 2.79 -0.19 -2.98 -0.373 0.47181E+04
230 gypsum -4.48 -9.03 -4.55 -1.138 0.72026E+04
246 acanthite -30.50 -30.56 -0.06 -0.014 0.89103E+02
252 barite -9.20 -11.73 -2.52 -1.262 0.39956E+04
253 boehmite 5.93 2.72 -3.21 -0.535 0.50762E+04
254 cerussite -2.73 -7.54 -4.81 -1.603 0.76122E+04
255 chalcopyrite -29.93 -31.94 -2.01 -0.374 0.31829E+04
260 fluorite -9.56 -11.13 -1.57 -0.523 0.24824E+04
270 silica-amorphous -2.12 -3.17 -1.05 -0.351 0.16653E+04
274 wurtzite -8.48 -10.46 -1.98 -0.660 0.31351E+04
276 an20ab80 3.85 -1.11 -4.95 -0.381 0.78409E+04
Calculations done for 72.7162 Deg. C; 500.0000 bar
Mixer fraction: 2.8000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 72.716 .45783E+00 1.484
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2125E+03
New heat: 1.463 New temperature: 71.505
New mixer fraction: 2.9000000
Resulting temperature: 71.505Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 71.50 C Pressure = 500.00 bar Mixer fraction = 2.9000000
Water: Moles liquid = 0.2166E+03 kg liquid = 0.3902E+01
Moles total = 0.2163E+03 kg total = 0.3897E+01 Activity = 0.9869
Stoichiometric ionic strength = .4460799E+00 Osmotic coef. = 0.9256
True ionic strength = .3896647E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22567E-04 -4.6465 0.15735E-04 -4.8031 0.69727E+00 -0.1566
2 H2O 0.98688E+00 -0.0057 0.98688E+00 -0.0057
3 Cl- 0.38176E+00 -0.4182 0.25647E+00 -0.5910 0.67181E+00 -0.1728
4 SO4-- 0.46911E-04 -4.3287 0.96267E-05 -5.0165 0.20521E+00 -0.6878
5 HCO3- 0.68440E-02 -2.1647 0.46008E-02 -2.3372 0.67224E+00 -0.1725
6 HS- 0.42024E-07 -7.3765 0.28230E-07 -7.5493 0.67175E+00 -0.1728
7 H4SiO4 0.64590E-03 -3.1898 0.64590E-03 -3.1898 0.10000E+01 0.0000
8 Al+++ 0.84778E-10 -10.0717 0.23644E-11 -11.6263 0.27889E-01 -1.5546
9 Ca++ 0.49491E-03 -3.3055 0.98242E-04 -4.0077 0.19851E+00 -0.7022
10 Mg++ 0.40287E-04 -4.3948 0.79356E-05 -5.1004 0.19698E+00 -0.7056
11 Fe++ 0.37448E-06 -6.4266 0.73859E-07 -7.1316 0.19723E+00 -0.7050
12 K+ 0.11631E-01 -1.9344 0.77948E-02 -2.1082 0.67014E+00 -0.1738
13 Na+ 0.37627E+00 -0.4245 0.25145E+00 -0.5995 0.66829E+00 -0.1750
14 Mn++ 0.74960E-05 -5.1252 0.14803E-05 -5.8297 0.19748E+00 -0.7045
15 Zn++ 0.93921E-07 -7.0272 0.18524E-07 -7.7323 0.19723E+00 -0.7050
16 Cu+ 0.71628E-14 -14.1449 0.47867E-14 -14.3200 0.66828E+00 -0.1750
17 Pb++ 0.45628E-09 -9.3408 0.91263E-10 -10.0397 0.20002E+00 -0.6989
18 Ag+ 0.16207E-13 -13.7903 0.10852E-13 -13.9645 0.66960E+00 -0.1742
19 Au+ 0.11983E-25 -25.9214 0.80342E-26 -26.0951 0.67049E+00 -0.1736
20 Ba++ 0.95579E-06 -6.0196 0.19230E-06 -6.7160 0.20120E+00 -0.6964
21 F- 0.39488E-03 -3.4035 0.26794E-03 -3.5720 0.67852E+00 -0.1684
22 H2AsO3- 0.48335E-08 -8.3157 0.34340E-08 -8.4642 0.71046E+00 -0.1485
24 HSiO3- 0.55460E-07 -7.2560 0.37259E-07 -7.4288 0.67181E+00 -0.1728
25 Ca(HSiO3)+ 0.74723E-10 -10.1265 0.50101E-10 -10.3002 0.67049E+00 -0.1736
27 NaHSiO3,aq 0.19658E-06 -6.7065 0.19658E-06 -6.7065 0.10000E+01 0.0000
32 AgCl2- 0.44171E-10 -10.3549 0.29675E-10 -10.5276 0.67181E+00 -0.1728
38 Ag(HS),aq 0.10450E-08 -8.9809 0.10450E-08 -8.9809 0.10000E+01 0.0000
40 AlO+ 0.89772E-10 -10.0469 0.60191E-10 -10.2205 0.67049E+00 -0.1736
41 AlOH+2 0.79555E-10 -10.0993 0.15737E-10 -10.8031 0.19781E+00 -0.7037
42 HAlO2,aq 0.27480E-09 -9.5610 0.27480E-09 -9.5610 0.10000E+01 0.0000
43 AlO2- 0.27310E-10 -10.5637 0.18479E-10 -10.7333 0.67662E+00 -0.1697
44 AsO2- 0.48358E-08 -8.3155 0.32488E-08 -8.4883 0.67181E+00 -0.1728
45 HAsO2,aq 0.15153E-04 -4.8195 0.15153E-04 -4.8195 0.10000E+01 0.0000
46 H3AsO3,aq 0.18058E-04 -4.7433 0.18058E-04 -4.7433 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.31592E-07 -7.5004 0.21242E-07 -7.6728 0.67237E+00 -0.1724
64 BaCl+ 0.54030E-07 -7.2674 0.36226E-07 -7.4410 0.67049E+00 -0.1736
65 BaF+ 0.93206E-10 -10.0306 0.62493E-10 -10.2042 0.67049E+00 -0.1736
66 CH4,aq 0.16157E-10 -10.7916 0.15087E-10 -10.8214 0.93377E+00 -0.0298
72 CO2,aq 0.82815E-01 -1.0819 0.77330E-01 -1.1117 0.93377E+00 -0.0298
73 CO3-2 0.19980E-06 -6.6994 0.40778E-07 -7.3896 0.20409E+00 -0.6902
74 CaCO3,aq 0.21396E-07 -7.6697 0.21396E-07 -7.6697 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.10127E-04 -4.9945 0.67900E-05 -5.1681 0.67049E+00 -0.1736
76 CaCl+ 0.32669E-04 -4.4859 0.21904E-04 -4.6595 0.67049E+00 -0.1736
77 CaCl2,aq 0.12576E-05 -5.9005 0.12576E-05 -5.9005 0.10000E+01 0.0000
78 CaF+ 0.30771E-06 -6.5119 0.20632E-06 -6.6855 0.67049E+00 -0.1736
79 CaOH+ 0.80163E-10 -10.0960 0.53748E-10 -10.2696 0.67049E+00 -0.1736
80 CaSO4,aq 0.17664E-06 -6.7529 0.17664E-06 -6.7529 0.10000E+01 0.0000
81 HCl,aq 0.86034E-06 -6.0653 0.86034E-06 -6.0653 0.10000E+01 0.0000
91 CuCl2- 0.53660E-10 -10.2704 0.36049E-10 -10.4431 0.67181E+00 -0.1728
98 HF,aq 0.12088E-04 -4.9176 0.12088E-04 -4.9176 0.10000E+01 0.0000
99 HF2- 0.12941E-08 -8.8880 0.86942E-09 -9.0608 0.67181E+00 -0.1728
101 FeCl+ 0.26633E-07 -7.5746 0.17857E-07 -7.7482 0.67049E+00 -0.1736
104 FeF+ 0.96188E-09 -9.0169 0.64493E-09 -9.1905 0.67049E+00 -0.1736
107 FeOH+ 0.68457E-10 -10.1646 0.45899E-10 -10.3382 0.67049E+00 -0.1736
113 H2,aq 0.25993E-09 -9.5851 0.24272E-09 -9.6149 0.93377E+00 -0.0298
114 KCl,aq 0.15554E-04 -4.8081 0.15554E-04 -4.8081 0.10000E+01 0.0000
116 KOH,aq 0.59114E-10 -10.2283 0.59114E-10 -10.2283 0.10000E+01 0.0000
117 KSO4- 0.11862E-05 -5.9258 0.79692E-06 -6.0986 0.67181E+00 -0.1728
118 MgCO3,aq 0.51379E-09 -9.2892 0.51379E-09 -9.2892 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.82589E-06 -6.0831 0.55375E-06 -6.2567 0.67049E+00 -0.1736
120 MgCl+ 0.28047E-05 -5.5521 0.18805E-05 -5.7257 0.67049E+00 -0.1736
121 MgF+ 0.98779E-07 -7.0053 0.66230E-07 -7.1789 0.67049E+00 -0.1736
122 MgOH+ 0.46521E-10 -10.3324 0.31192E-10 -10.5060 0.67049E+00 -0.1736
124 MnF+ 0.59247E-08 -8.2273 0.39724E-08 -8.4009 0.67049E+00 -0.1736
126 MnOH+ 0.10663E-09 -9.9721 0.71494E-10 -10.1457 0.67049E+00 -0.1736
131 MnCl+ 0.13305E-05 -5.8760 0.89211E-06 -6.0496 0.67049E+00 -0.1736
132 MnSO4,aq 0.22246E-08 -8.6527 0.22246E-08 -8.6527 0.10000E+01 0.0000
133 NaCl,aq 0.14201E-01 -1.8477 0.14201E-01 -1.8477 0.10000E+01 0.0000
134 NaF,aq 0.97898E-05 -5.0092 0.97898E-05 -5.0092 0.10000E+01 0.0000
135 NaOH,aq 0.23139E-08 -8.6357 0.23139E-08 -8.6357 0.10000E+01 0.0000
137 OH- 0.22779E-07 -7.6425 0.15413E-07 -7.8121 0.67662E+00 -0.1697
140 PbCl+ 0.13295E-08 -8.8763 0.89143E-09 -9.0499 0.67049E+00 -0.1736
141 PbCl2,aq 0.96774E-09 -9.0142 0.96774E-09 -9.0142 0.10000E+01 0.0000
142 PbCl3- 0.15410E-09 -9.8122 0.10353E-09 -9.9849 0.67181E+00 -0.1728
143 PbCl4-2 0.39437E-10 -10.4041 0.80489E-11 -11.0943 0.20409E+00 -0.6902
150 H2S,aq 0.13996E-05 -5.8540 0.13069E-05 -5.8837 0.93377E+00 -0.0298
159 HSO4- 0.62451E-07 -7.2045 0.42101E-07 -7.3757 0.67414E+00 -0.1713
173 ZnCl+ 0.13642E-06 -6.8651 0.91468E-07 -7.0387 0.67049E+00 -0.1736
174 ZnCl2,aq 0.14219E-07 -7.8471 0.14219E-07 -7.8471 0.10000E+01 0.0000
175 ZnCl3- 0.10769E-08 -8.9678 0.72347E-09 -9.1406 0.67181E+00 -0.1728
176 ZnF+ 0.14180E-09 -9.8483 0.95076E-10 -10.0219 0.67049E+00 -0.1736
178 ZnOH+ 0.14495E-08 -8.8388 0.97185E-09 -9.0124 0.67049E+00 -0.1736
Charge balance for all species = -.3321E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2256661E-04 0.8288439E-01 0.8129588E+02 0.0000
2 H2O 0.1000000E+01 0.5542542E+02 0.9716539E+06 0.0000
3 Cl- 0.3817556E+00 0.3960124E+00 0.1366227E+05 4.2122
4 SO4-- 0.4691070E-04 0.4833816E-04 0.4518570E+01 4.5897
5 HCO3- 0.6843957E-02 0.8966986E-01 0.5324268E+04 2.4660
6 HS- 0.4202396E-07 0.1442785E-05 0.4643261E-01 -2.7462
7 H4SiO4 0.6458988E-03 0.6461509E-03 0.6043493E+02 -3.1898
8 Al+++ 0.8477779E-10 0.5562186E-09 0.1460403E-04 2.7831
9 Ca++ 0.4949094E-03 0.5394684E-03 0.2103939E+02 5.5986
10 Mg++ 0.4028718E-04 0.4401708E-04 0.1041365E+01 4.5058
11 Fe++ 0.3744794E-06 0.4021432E-06 0.2185454E-01 2.4747
12 K+ 0.1163149E-01 0.1164824E-01 0.4432209E+03 2.6949
13 Na+ 0.3762661E+00 0.3904769E+00 0.8735577E+04 4.2036
14 Mn++ 0.7496045E-05 0.8834843E-05 0.4723161E+00 3.7766
15 Zn++ 0.9392055E-07 0.2472282E-06 0.1572670E-01 1.8740
16 Cu+ 0.7162762E-14 0.6579009E-10 0.4067886E-05 -9.5168
17 Pb++ 0.4562778E-09 0.2952331E-08 0.5952440E-03 -0.4334
18 Ag+ 0.1620686E-13 0.1099876E-08 0.1154530E-03 -9.1614
19 Au+ 0.1198263E-25 0.1709450E-12 0.3276506E-07 -21.2919
20 Ba++ 0.9557869E-06 0.1041512E-05 0.1391946E+00 2.8903
21 F- 0.3948832E-03 0.4171775E-03 0.7712405E+01 1.2312
22 H2AsO3- 0.4833527E-08 0.3322055E-04 0.4038820E+01 -3.6611
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234483E+00 -.1317622E-04 0.0000000E+00
2 H2O 0.2162918E+03 0.2162924E+03 -.5780104E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4247005E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5630328E-05 0.8399982E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2521542E-02 0.2901993E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2170590E-08 0.2405108E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569325E-05 0.3398008E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.9647842E-06 0.6503392E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.2567395E-09 0.1699004E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1152119E-07 0.1553499E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4292159E-08 0.4228359E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.6670964E-12 0.2443864E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405108E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.401025E+04 g
Temperature = 71.50 C Pressure = 500.00 bar Mixer frac. = 2.9000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2890E-03 -3.539 0.1736E-01 -1.760 93.05 0.6557E-02
argentite 0.2114E-06 -6.675 0.5239E-04 -4.281 0.2808 0.7357E-05
bornite 0.3398E-07 -7.469 0.1705E-04 -4.768 0.9138E-01 0.3355E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.186 0.6196E-04
galena 0.1553E-05 -5.809 0.3717E-03 -3.430 1.992 0.4892E-04
gold,native 0.2444E-11 -11.612 0.4814E-09 -9.318 0.2580E-05 0.2496E-10
silver,native 0.1594E-11 -11.798 0.1719E-09 -9.765 0.9213E-06 0.1637E-10
sphalerite 0.6503E-05 -5.187 0.6336E-03 -3.198 3.396 0.1550E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6053E+00 0.2788E+00 0.4606 -0.555
silver,native 0.3947E+00 0.4156E-01 0.1053 -1.381
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 2.9000000
Solid products produced: Mass = 0.018659 g Volume = 0.006834 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 71.5048 deg.C
Sat. pressure: 12.4861 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3787E-01 0.9278 0.4387E+00 0.4729E+00
CO2,gas 0.9621E+00 0.9534 0.1145E+02 0.1201E+02
CH4,gas 0.3323E-08 1.0091 0.4186E-07 0.4149E-07
H2,gas 0.4219E-07 1.0072 0.5306E-06 0.5268E-06
H2S,gas 0.4005E-05 0.9424 0.4713E-04 0.5001E-04
S2,gas 0.2541E-18 1.0000 0.3172E-17 0.3172E-17
CO,gas 0.1004E-09 1.0000 0.1254E-08 0.1254E-08
SO3,gas 0.9352E-34 1.0000 0.1168E-32 0.1168E-32
O2,gas 0.1287E-57 1.0000 0.1607E-56 0.1607E-56
SO2,gas 0.2015E-15 1.0000 0.2516E-14 0.2516E-14
HF,gas 0.8641E-09 1.0000 0.1079E-07 0.1079E-07
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.18 -3.18 0.00 0.000 0.00000E+00
197 argentite -30.68 -30.68 0.00 0.000 0.00000E+00
206 bornite -94.80 -94.80 0.00 0.000 0.00000E+00
226 topaz -14.37 -14.37 0.00 0.000 -0.28015E-11
261 galena -12.79 -12.79 0.00 0.000 -0.28015E-11
262 gold,native -20.46 -20.46 0.00 0.000 0.00000E+00
263 silver,native -7.50 -7.50 0.00 0.000 -0.14007E-11
273 sphalerite -10.48 -10.48 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.05 -0.01 -3.06 -3.057 0.48208E+04 -0.358
2 CO2,gas -5.49 -7.13 -1.64 -0.547 0.25864E+04 1.059
3 CH4,gas 5.20 -4.88 -10.08 -2.519 0.15892E+05 -7.378
4 H2,gas 9.54 0.56 -8.97 -5.128 0.14153E+05 -6.275
5 H2S,gas -5.33 -12.35 -7.03 -3.513 0.11080E+05 -4.327
6 S2,gas -5.63 -25.83 -20.20 -3.107 0.31853E+05 -17.499
7 CO,gas 5.03 -6.57 -11.60 -3.569 0.18295E+05 -8.902
8 SO3,gas 21.01 -14.62 -35.63 -8.908 0.56194E+05 -32.933
9 O2,gas 58.36 -1.14 -59.49 -39.662 0.93825E+05 -56.794
10 SO2,gas 3.25 -14.05 -17.30 -4.613 0.27281E+05 -14.599
11 HF,gas 2.29 -8.38 -10.67 -5.333 0.16821E+05 -7.967
12 HCl,gas 4.33 -5.39 -9.73 -4.863 0.15338E+05 -9.725
17 albite-high 2.18 -2.56 -4.74 -0.364 0.74701E+04
18 albite 0.93 -2.56 -3.49 -0.269 0.55114E+04
22 analcite 4.86 0.61 -4.24 -0.472 0.66944E+04
26 anhydrite -4.54 -9.02 -4.49 -2.244 0.70778E+04
34 aragonite 1.53 -1.54 -3.07 -1.025 0.48479E+04
36 calcite 1.40 -1.54 -2.94 -0.979 0.46318E+04
53 coesite -2.53 -3.18 -0.64 -0.214 0.10147E+04
60 cristobalite -2.65 -3.18 -0.53 -0.176 0.83286E+03
65 diaspore 4.26 2.77 -1.49 -0.248 0.23442E+04
66 diamond -3.59 -6.00 -2.41 -0.690 0.38064E+04
83 gibbsite 5.43 2.77 -2.66 -0.380 0.42004E+04
87 graphite -4.04 -6.00 -1.96 -0.561 0.30942E+04
90 halite 1.67 -1.19 -2.86 -1.429 0.45078E+04
96 jadeite 5.60 0.62 -4.98 -0.498 0.78533E+04
99 kaolinite 0.85 -0.82 -1.67 -0.152 0.26371E+04
107 magnesite 1.45 -2.63 -4.08 -1.361 0.64393E+04
117 microcline -1.48 -4.07 -2.59 -0.199 0.40833E+04
121 muscovite 6.32 1.47 -4.85 -0.285 0.76466E+04
143 pyrite -22.08 -22.79 -0.71 -0.168 0.11261E+04
145 pyrrhotiteFe0.875 -5.85 -10.26 -4.41 -1.621 0.69503E+04
147 pyrophyllite -4.12 -7.17 -3.05 -0.191 0.48084E+04
153 rhodochrosite -0.52 -3.36 -2.84 -0.947 0.44784E+04
155 sanidine -0.17 -4.07 -3.90 -0.300 0.61498E+04
157 siderite -2.11 -4.67 -2.55 -0.851 0.40283E+04
171 sulfur -9.43 -12.91 -3.48 -1.072 0.54926E+04
172 sylvite 1.31 -2.70 -4.00 -2.002 0.63158E+04
180 topaz-H 7.28 2.36 -4.92 -0.447 0.77542E+04
181 tridymite -2.73 -3.18 -0.45 -0.148 0.70204E+03
198 arsenic -7.92 -12.41 -4.48 -1.157 0.70698E+04
208 chalcedony -2.98 -3.18 -0.20 -0.068 0.31992E+03
209 chalcocite -30.12 -31.39 -1.26 -0.316 0.19934E+04
211 covellite -21.34 -22.15 -0.81 -0.309 0.12793E+04
212 dawsonite 2.83 -0.17 -2.99 -0.374 0.47213E+04
230 gypsum -4.47 -9.04 -4.57 -1.142 0.72028E+04
246 acanthite -30.62 -30.68 -0.05 -0.014 0.86528E+02
252 barite -9.20 -11.73 -2.53 -1.264 0.39881E+04
253 boehmite 6.00 2.77 -3.22 -0.537 0.50842E+04
254 cerussite -2.74 -7.57 -4.84 -1.612 0.76277E+04
255 chalcopyrite -30.01 -32.03 -2.02 -0.376 0.31840E+04
260 fluorite -9.56 -11.15 -1.59 -0.531 0.25107E+04
270 silica-amorphous -2.12 -3.18 -1.06 -0.353 0.16683E+04
274 wurtzite -8.49 -10.48 -1.99 -0.663 0.31351E+04
Calculations done for 71.5048 Deg. C; 500.0000 bar
Mixer fraction: 2.9000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 71.505 .44608E+00 1.463
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2180E+03
New heat: 1.443 New temperature: 70.353
New mixer fraction: 3.0000000
Resulting temperature: 70.353Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 70.35 C Pressure = 500.00 bar Mixer fraction = 3.0000000
Water: Moles liquid = 0.2222E+03 kg liquid = 0.4002E+01
Moles total = 0.2218E+03 kg total = 0.3997E+01 Activity = 0.9872
Stoichiometric ionic strength = .4349184E+00 Osmotic coef. = 0.9255
True ionic strength = .3803261E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22569E-04 -4.6465 0.15781E-04 -4.8019 0.69923E+00 -0.1554
2 H2O 0.98721E+00 -0.0056 0.98721E+00 -0.0056
3 Cl- 0.37261E+00 -0.4287 0.25104E+00 -0.6003 0.67373E+00 -0.1715
4 SO4-- 0.45767E-04 -4.3394 0.95297E-05 -5.0209 0.20822E+00 -0.6815
5 HCO3- 0.66736E-02 -2.1756 0.44988E-02 -2.3469 0.67412E+00 -0.1713
6 HS- 0.40165E-07 -7.3962 0.27058E-07 -7.5677 0.67367E+00 -0.1716
7 H4SiO4 0.63070E-03 -3.2002 0.63070E-03 -3.2002 0.10000E+01 0.0000
8 Al+++ 0.91765E-10 -10.0373 0.26464E-11 -11.5774 0.28838E-01 -1.5400
9 Ca++ 0.48365E-03 -3.3155 0.97468E-04 -4.0111 0.20153E+00 -0.6957
10 Mg++ 0.39355E-04 -4.4050 0.78718E-05 -5.1039 0.20002E+00 -0.6989
11 Fe++ 0.36570E-06 -6.4369 0.73239E-07 -7.1353 0.20027E+00 -0.6984
12 K+ 0.11342E-01 -1.9453 0.76219E-02 -2.1179 0.67203E+00 -0.1726
13 Na+ 0.36726E+00 -0.4350 0.24615E+00 -0.6088 0.67024E+00 -0.1738
14 Mn++ 0.73546E-05 -5.1334 0.14747E-05 -5.8313 0.20051E+00 -0.6979
15 Zn++ 0.93702E-07 -7.0283 0.18766E-07 -7.7266 0.20027E+00 -0.6984
16 Cu+ 0.64687E-14 -14.1892 0.43355E-14 -14.3630 0.67023E+00 -0.1738
17 Pb++ 0.43156E-09 -9.3650 0.87620E-10 -10.0574 0.20303E+00 -0.6924
18 Ag+ 0.14553E-13 -13.8370 0.97725E-14 -14.0100 0.67150E+00 -0.1730
19 Au+ 0.99201E-26 -26.0035 0.66699E-26 -26.1759 0.67237E+00 -0.1724
20 Ba++ 0.93483E-06 -6.0293 0.19090E-06 -6.7192 0.20421E+00 -0.6899
21 F- 0.38552E-03 -3.4140 0.26233E-03 -3.5812 0.68045E+00 -0.1672
22 H2AsO3- 0.45135E-08 -8.3455 0.32129E-08 -8.4931 0.71184E+00 -0.1476
24 HSiO3- 0.52625E-07 -7.2788 0.35455E-07 -7.4503 0.67373E+00 -0.1715
25 Ca(HSiO3)+ 0.69337E-10 -10.1590 0.46620E-10 -10.3314 0.67237E+00 -0.1724
27 NaHSiO3,aq 0.18658E-06 -6.7291 0.18658E-06 -6.7291 0.10000E+01 0.0000
32 AgCl2- 0.38764E-10 -10.4116 0.26117E-10 -10.5831 0.67373E+00 -0.1715
38 Ag(HS),aq 0.10087E-08 -8.9963 0.10087E-08 -8.9963 0.10000E+01 0.0000
40 AlO+ 0.88833E-10 -10.0514 0.59728E-10 -10.2238 0.67237E+00 -0.1724
41 AlOH+2 0.82129E-10 -10.0855 0.16495E-10 -10.7827 0.20084E+00 -0.6971
42 HAlO2,aq 0.25917E-09 -9.5864 0.25917E-09 -9.5864 0.10000E+01 0.0000
43 AlO2- 0.24758E-10 -10.6063 0.16800E-10 -10.7747 0.67856E+00 -0.1684
44 AsO2- 0.45918E-08 -8.3380 0.30936E-08 -8.5095 0.67373E+00 -0.1715
45 HAsO2,aq 0.14837E-04 -4.8286 0.14837E-04 -4.8286 0.10000E+01 0.0000
46 H3AsO3,aq 0.17544E-04 -4.7559 0.17544E-04 -4.7559 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.29498E-07 -7.5302 0.19888E-07 -7.7014 0.67421E+00 -0.1712
64 BaCl+ 0.51065E-07 -7.2919 0.34335E-07 -7.4643 0.67237E+00 -0.1724
65 BaF+ 0.88508E-10 -10.0530 0.59510E-10 -10.2254 0.67237E+00 -0.1724
66 CH4,aq 0.15365E-10 -10.8135 0.14363E-10 -10.8428 0.93481E+00 -0.0293
72 CO2,aq 0.80745E-01 -1.0929 0.75482E-01 -1.1222 0.93481E+00 -0.0293
73 CO3-2 0.19115E-06 -6.7186 0.39588E-07 -7.4024 0.20711E+00 -0.6838
74 CaCO3,aq 0.20063E-07 -7.6976 0.20063E-07 -7.6976 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.96455E-05 -5.0157 0.64853E-05 -5.1881 0.67237E+00 -0.1724
76 CaCl+ 0.31033E-04 -4.5082 0.20866E-04 -4.6806 0.67237E+00 -0.1724
77 CaCl2,aq 0.11805E-05 -5.9279 0.11805E-05 -5.9279 0.10000E+01 0.0000
78 CaF+ 0.29241E-06 -6.5340 0.19661E-06 -6.7064 0.67237E+00 -0.1724
79 CaOH+ 0.72417E-10 -10.1402 0.48691E-10 -10.3125 0.67237E+00 -0.1724
80 CaSO4,aq 0.17095E-06 -6.7671 0.17095E-06 -6.7671 0.10000E+01 0.0000
81 HCl,aq 0.84441E-06 -6.0734 0.84441E-06 -6.0734 0.10000E+01 0.0000
91 CuCl2- 0.46939E-10 -10.3285 0.31625E-10 -10.5000 0.67373E+00 -0.1715
98 HF,aq 0.11582E-04 -4.9362 0.11582E-04 -4.9362 0.10000E+01 0.0000
99 HF2- 0.12053E-08 -8.9189 0.81207E-09 -9.0904 0.67373E+00 -0.1715
101 FeCl+ 0.25409E-07 -7.5950 0.17084E-07 -7.7674 0.67237E+00 -0.1724
104 FeF+ 0.92042E-09 -9.0360 0.61886E-09 -9.2084 0.67237E+00 -0.1724
107 FeOH+ 0.63626E-10 -10.1964 0.42780E-10 -10.3688 0.67237E+00 -0.1724
113 H2,aq 0.23991E-09 -9.6199 0.22427E-09 -9.6492 0.93481E+00 -0.0293
114 KCl,aq 0.14484E-04 -4.8391 0.14484E-04 -4.8391 0.10000E+01 0.0000
116 KOH,aq 0.54028E-10 -10.2674 0.54028E-10 -10.2674 0.10000E+01 0.0000
117 KSO4- 0.11307E-05 -5.9466 0.76180E-06 -6.1182 0.67373E+00 -0.1715
118 MgCO3,aq 0.48585E-09 -9.3135 0.48585E-09 -9.3135 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.78599E-06 -6.1046 0.52848E-06 -6.2770 0.67237E+00 -0.1724
120 MgCl+ 0.26814E-05 -5.5716 0.18029E-05 -5.7440 0.67237E+00 -0.1724
121 MgF+ 0.94161E-07 -7.0261 0.63311E-07 -7.1985 0.67237E+00 -0.1724
122 MgOH+ 0.42533E-10 -10.3713 0.28598E-10 -10.5437 0.67237E+00 -0.1724
124 MnF+ 0.56812E-08 -8.2456 0.38199E-08 -8.4180 0.67237E+00 -0.1724
126 MnOH+ 0.98750E-10 -10.0055 0.66396E-10 -10.1779 0.67237E+00 -0.1724
131 MnCl+ 0.12515E-05 -5.9026 0.84150E-06 -6.0749 0.67237E+00 -0.1724
132 MnSO4,aq 0.21519E-08 -8.6672 0.21519E-08 -8.6672 0.10000E+01 0.0000
133 NaCl,aq 0.13453E-01 -1.8712 0.13453E-01 -1.8712 0.10000E+01 0.0000
134 NaF,aq 0.92578E-05 -5.0335 0.92578E-05 -5.0335 0.10000E+01 0.0000
135 NaOH,aq 0.21321E-08 -8.6712 0.21321E-08 -8.6712 0.10000E+01 0.0000
137 OH- 0.21461E-07 -7.6684 0.14562E-07 -7.8368 0.67856E+00 -0.1684
140 PbCl+ 0.12283E-08 -8.9107 0.82587E-09 -9.0831 0.67237E+00 -0.1724
141 PbCl2,aq 0.86952E-09 -9.0607 0.86952E-09 -9.0607 0.10000E+01 0.0000
142 PbCl3- 0.13468E-09 -9.8707 0.90738E-10 -10.0422 0.67373E+00 -0.1715
143 PbCl4-2 0.33541E-10 -10.4744 0.69466E-11 -11.1582 0.20711E+00 -0.6838
150 H2S,aq 0.13604E-05 -5.8663 0.12717E-05 -5.8956 0.93481E+00 -0.0293
159 HSO4- 0.59539E-07 -7.2252 0.40247E-07 -7.3953 0.67597E+00 -0.1701
173 ZnCl+ 0.12695E-06 -6.8964 0.85359E-07 -7.0688 0.67237E+00 -0.1724
174 ZnCl2,aq 0.13061E-07 -7.8840 0.13061E-07 -7.8840 0.10000E+01 0.0000
175 ZnCl3- 0.97834E-09 -9.0095 0.65914E-09 -9.1810 0.67373E+00 -0.1715
176 ZnF+ 0.13832E-09 -9.8591 0.93005E-10 -10.0315 0.67237E+00 -0.1724
178 ZnOH+ 0.13400E-08 -8.8729 0.90094E-09 -9.0453 0.67237E+00 -0.1724
Charge balance for all species = -.3238E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2256935E-04 0.8081353E-01 0.7931800E+02 0.0000
2 H2O 0.1000000E+01 0.5542749E+02 0.9723434E+06 0.0000
3 Cl- 0.3726123E+00 0.3861180E+00 0.1332987E+05 4.2016
4 SO4-- 0.4576715E-04 0.4713044E-04 0.4408636E+01 4.5828
5 HCO3- 0.6673583E-02 0.8742947E-01 0.5194731E+04 2.4550
6 HS- 0.4016482E-07 0.1401669E-05 0.4513973E-01 -2.7658
7 H4SiO4 0.6307038E-03 0.6309431E-03 0.5905221E+02 -3.2002
8 Al+++ 0.9176508E-10 0.5466539E-09 0.1436255E-04 2.8282
9 Ca++ 0.4836471E-03 0.5259898E-03 0.2052751E+02 5.5926
10 Mg++ 0.3935525E-04 0.4291732E-04 0.1016029E+01 4.4998
11 Fe++ 0.3657017E-06 0.3920944E-06 0.2132276E-01 2.4685
12 K+ 0.1134159E-01 0.1135720E-01 0.4324376E+03 2.6839
13 Na+ 0.3672585E+00 0.3807208E+00 0.8523046E+04 4.1931
14 Mn++ 0.7354626E-05 0.8614105E-05 0.4608249E+00 3.7724
15 Zn++ 0.9370219E-07 0.2361723E-06 0.1503351E-01 1.8771
16 Cu+ 0.6468699E-14 0.5766236E-10 0.3567735E-05 -9.5611
17 Pb++ 0.4315628E-09 0.2702481E-08 0.5452359E-03 -0.4537
18 Ag+ 0.1455316E-13 0.1056754E-08 0.1110012E-03 -9.2081
19 Au+ 0.9920073E-26 0.1590923E-12 0.3051375E-07 -21.3740
20 Ba++ 0.9348290E-06 0.1015490E-05 0.1358081E+00 2.8845
21 F- 0.3855192E-03 0.4067543E-03 0.7524767E+01 1.2207
22 H2AsO3- 0.4513465E-08 0.3239054E-04 0.3940558E+01 -3.6912
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234484E+00 -.1319647E-04 0.0000000E+00
2 H2O 0.2218426E+03 0.2218432E+03 -.5705161E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4247649E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5610045E-05 0.8420266E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2525289E-02 0.2864521E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2187929E-08 0.2405091E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569320E-05 0.3398527E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.9452569E-06 0.6522919E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.2307880E-09 0.1699263E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1081642E-07 0.1554204E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4229556E-08 0.4228985E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.6367515E-12 0.2474209E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405091E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.2541E-20 Mass of aqueous solution: 0.411025E+04 g
Temperature = 70.35 C Pressure = 500.00 bar Mixer frac. = 3.0000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2852E-03 -3.545 0.1714E-01 -1.766 92.96 0.6472E-02
argentite 0.2114E-06 -6.675 0.5240E-04 -4.281 0.2842 0.7358E-05
bornite 0.3399E-07 -7.469 0.1705E-04 -4.768 0.9250E-01 0.3355E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.200 0.6196E-04
galena 0.1554E-05 -5.808 0.3718E-03 -3.430 2.017 0.4894E-04
gold,native 0.2474E-11 -11.607 0.4873E-09 -9.312 0.2643E-05 0.2527E-10
silver,native 0.1604E-11 -11.795 0.1730E-09 -9.762 0.9383E-06 0.1647E-10
sphalerite 0.6523E-05 -5.186 0.6355E-03 -3.197 3.447 0.1554E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6067E+00 0.2804E+00 0.4621 -0.552
silver,native 0.3933E+00 0.4066E-01 0.1034 -1.391
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.0000000
Solid products produced: Mass = 0.018436 g Volume = 0.006749 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 70.3533 deg.C
Sat. pressure: 11.9871 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3751E-01 0.9303 0.4183E+00 0.4496E+00
CO2,gas 0.9625E+00 0.9547 0.1101E+02 0.1154E+02
CH4,gas 0.3284E-08 1.0087 0.3971E-07 0.3936E-07
H2,gas 0.4075E-07 1.0069 0.4919E-06 0.4885E-06
H2S,gas 0.4001E-05 0.9442 0.4528E-04 0.4796E-04
S2,gas 0.2332E-18 1.0000 0.2796E-17 0.2796E-17
CO,gas 0.9327E-10 1.0000 0.1118E-08 0.1118E-08
SO3,gas 0.7304E-34 1.0000 0.8756E-33 0.8756E-33
O2,gas 0.8082E-58 1.0000 0.9688E-57 0.9688E-57
SO2,gas 0.1807E-15 1.0000 0.2166E-14 0.2166E-14
HF,gas 0.8173E-09 1.0000 0.9797E-08 0.9797E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.19 -3.19 0.00 0.000 0.00000E+00
197 argentite -30.79 -30.79 0.00 0.000 0.55842E-11
206 bornite -95.09 -95.09 0.00 0.000 0.00000E+00
226 topaz -14.31 -14.31 0.00 0.000 0.27921E-11
261 galena -12.82 -12.82 0.00 0.000 0.27921E-11
262 gold,native -20.54 -20.54 0.00 0.000 0.00000E+00
263 silver,native -7.54 -7.54 0.00 0.000 0.00000E+00
273 sphalerite -10.49 -10.49 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.07 -0.01 -3.08 -3.078 0.48373E+04 -0.379
2 CO2,gas -5.49 -7.14 -1.66 -0.552 0.26045E+04 1.042
3 CH4,gas 5.20 -4.90 -10.10 -2.525 0.15876E+05 -7.401
4 H2,gas 9.57 0.56 -9.01 -5.147 0.14158E+05 -6.308
5 H2S,gas -5.33 -12.37 -7.04 -3.522 0.11070E+05 -4.344
6 S2,gas -5.60 -25.86 -20.25 -3.116 0.31833E+05 -17.553
7 CO,gas 5.07 -6.58 -11.65 -3.585 0.18312E+05 -8.952
8 SO3,gas 21.14 -14.62 -35.76 -8.939 0.56203E+05 -33.058
9 O2,gas 58.59 -1.13 -59.71 -39.808 0.93857E+05 -57.014
10 SO2,gas 3.31 -14.06 -17.36 -4.630 0.27292E+05 -14.664
11 HF,gas 2.32 -8.38 -10.71 -5.354 0.16831E+05 -8.009
12 HCl,gas 4.37 -5.40 -9.77 -4.887 0.15362E+05 -9.774
17 albite-high 2.22 -2.56 -4.78 -0.368 0.75124E+04
18 albite 0.97 -2.56 -3.53 -0.272 0.55493E+04
22 analcite 4.91 0.63 -4.28 -0.476 0.67299E+04
26 anhydrite -4.52 -9.03 -4.51 -2.257 0.70955E+04
34 aragonite 1.55 -1.56 -3.11 -1.035 0.48806E+04
36 calcite 1.41 -1.56 -2.97 -0.989 0.46652E+04
53 coesite -2.54 -3.19 -0.65 -0.215 0.10141E+04
60 cristobalite -2.66 -3.19 -0.53 -0.177 0.83490E+03
65 diaspore 4.31 2.82 -1.49 -0.249 0.23471E+04
66 diamond -3.61 -6.02 -2.41 -0.689 0.37882E+04
83 gibbsite 5.48 2.81 -2.67 -0.381 0.41971E+04
87 graphite -4.06 -6.02 -1.96 -0.559 0.30771E+04
90 halite 1.67 -1.21 -2.88 -1.439 0.45232E+04
99 kaolinite 0.93 -0.75 -1.68 -0.152 0.26362E+04
107 magnesite 1.47 -2.65 -4.12 -1.374 0.64808E+04
117 microcline -1.45 -4.07 -2.61 -0.201 0.41054E+04
121 muscovite 6.45 1.57 -4.88 -0.287 0.76775E+04
143 pyrite -22.12 -22.83 -0.70 -0.166 0.11073E+04
145 pyrrhotiteFe0.875 -5.85 -10.28 -4.43 -1.629 0.69627E+04
147 pyrophyllite -4.06 -7.12 -3.06 -0.191 0.48160E+04
153 rhodochrosite -0.51 -3.38 -2.86 -0.955 0.45031E+04
155 sanidine -0.14 -4.07 -3.93 -0.302 0.61721E+04
157 siderite -2.10 -4.68 -2.58 -0.861 0.40590E+04
171 sulfur -9.45 -12.93 -3.48 -1.070 0.54672E+04
172 sylvite 1.30 -2.72 -4.02 -2.009 0.63167E+04
180 topaz-H 7.38 2.45 -4.94 -0.449 0.77576E+04
181 tridymite -2.74 -3.19 -0.45 -0.149 0.70293E+03
198 arsenic -7.95 -12.44 -4.49 -1.158 0.70520E+04
208 chalcedony -2.99 -3.19 -0.20 -0.068 0.31984E+03
209 chalcocite -30.23 -31.49 -1.26 -0.316 0.19879E+04
211 covellite -21.41 -22.21 -0.80 -0.306 0.12621E+04
212 dawsonite 2.87 -0.14 -3.01 -0.376 0.47245E+04
230 gypsum -4.46 -9.04 -4.58 -1.146 0.72034E+04
246 acanthite -30.73 -30.79 -0.05 -0.013 0.84092E+02
252 barite -9.21 -11.74 -2.53 -1.266 0.39814E+04
253 boehmite 6.06 2.82 -3.24 -0.540 0.50913E+04
254 cerussite -2.74 -7.60 -4.86 -1.621 0.76427E+04
255 chalcopyrite -30.08 -32.11 -2.03 -0.377 0.31852E+04
260 fluorite -9.56 -11.17 -1.61 -0.538 0.25383E+04
270 silica-amorphous -2.13 -3.19 -1.06 -0.354 0.16712E+04
274 wurtzite -8.50 -10.49 -1.99 -0.665 0.31351E+04
Calculations done for 70.3533 Deg. C; 500.0000 bar
Mixer fraction: 3.0000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 70.353 .43492E+00 1.443
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2236E+03
New heat: 1.424 New temperature: 69.258
New mixer fraction: 3.1000000
Resulting temperature: 69.258Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 69.26 C Pressure = 500.00 bar Mixer fraction = 3.1000000
Water: Moles liquid = 0.2277E+03 kg liquid = 0.4102E+01
Moles total = 0.2274E+03 kg total = 0.4097E+01 Activity = 0.9875
Stoichiometric ionic strength = .4243018E+00 Osmotic coef. = 0.9254
True ionic strength = .3714207E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22561E-04 -4.6466 0.15818E-04 -4.8009 0.70110E+00 -0.1542
2 H2O 0.98752E+00 -0.0055 0.98752E+00 -0.0055
3 Cl- 0.36389E+00 -0.4390 0.24583E+00 -0.6094 0.67557E+00 -0.1703
4 SO4-- 0.44678E-04 -4.3499 0.94334E-05 -5.0253 0.21114E+00 -0.6754
5 HCO3- 0.65115E-02 -2.1863 0.44013E-02 -2.3564 0.67592E+00 -0.1701
6 HS- 0.38455E-07 -7.4150 0.25977E-07 -7.5854 0.67550E+00 -0.1704
7 H4SiO4 0.61638E-03 -3.2102 0.61638E-03 -3.2102 0.10000E+01 0.0000
8 Al+++ 0.98934E-10 -10.0047 0.29460E-11 -11.5308 0.29777E-01 -1.5261
9 Ca++ 0.47287E-03 -3.3253 0.96684E-04 -4.0146 0.20446E+00 -0.6894
10 Mg++ 0.38465E-04 -4.4149 0.78073E-05 -5.1075 0.20297E+00 -0.6926
11 Fe++ 0.35732E-06 -6.4469 0.72613E-07 -7.1390 0.20322E+00 -0.6920
12 K+ 0.11066E-01 -1.9560 0.74567E-02 -2.1275 0.67385E+00 -0.1714
13 Na+ 0.35867E+00 -0.4453 0.24106E+00 -0.6179 0.67211E+00 -0.1726
14 Mn++ 0.72172E-05 -5.1416 0.14684E-05 -5.8332 0.20345E+00 -0.6915
15 Zn++ 0.93442E-07 -7.0295 0.18989E-07 -7.7215 0.20322E+00 -0.6920
16 Cu+ 0.58650E-14 -14.2317 0.39419E-14 -14.4043 0.67210E+00 -0.1726
17 Pb++ 0.40886E-09 -9.3884 0.84206E-10 -10.0747 0.20595E+00 -0.6862
18 Ag+ 0.13122E-13 -13.8820 0.88356E-14 -14.0538 0.67333E+00 -0.1718
19 Au+ 0.82701E-26 -26.0825 0.55755E-26 -26.2537 0.67418E+00 -0.1712
20 Ba++ 0.91470E-06 -6.0387 0.18946E-06 -6.7225 0.20713E+00 -0.6838
21 F- 0.37659E-03 -3.4241 0.25694E-03 -3.5902 0.68228E+00 -0.1660
22 H2AsO3- 0.42268E-08 -8.3740 0.30145E-08 -8.5208 0.71317E+00 -0.1468
24 HSiO3- 0.50053E-07 -7.3006 0.33814E-07 -7.4709 0.67557E+00 -0.1703
25 Ca(HSiO3)+ 0.64538E-10 -10.1902 0.43510E-10 -10.3614 0.67418E+00 -0.1712
27 NaHSiO3,aq 0.17746E-06 -6.7509 0.17746E-06 -6.7509 0.10000E+01 0.0000
32 AgCl2- 0.34174E-10 -10.4663 0.23087E-10 -10.6366 0.67557E+00 -0.1703
38 Ag(HS),aq 0.97472E-09 -9.0111 0.97472E-09 -9.0111 0.10000E+01 0.0000
40 AlO+ 0.87949E-10 -10.0558 0.59293E-10 -10.2270 0.67418E+00 -0.1712
41 AlOH+2 0.84667E-10 -10.0723 0.17253E-10 -10.7631 0.20378E+00 -0.6908
42 HAlO2,aq 0.24509E-09 -9.6107 0.24509E-09 -9.6107 0.10000E+01 0.0000
43 AlO2- 0.22560E-10 -10.6467 0.15349E-10 -10.8139 0.68040E+00 -0.1672
44 AsO2- 0.43685E-08 -8.3597 0.29512E-08 -8.5300 0.67557E+00 -0.1703
45 HAsO2,aq 0.14534E-04 -4.8376 0.14534E-04 -4.8376 0.10000E+01 0.0000
46 H3AsO3,aq 0.17058E-04 -4.7681 0.17058E-04 -4.7681 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.27601E-07 -7.5591 0.18658E-07 -7.7291 0.67599E+00 -0.1701
64 BaCl+ 0.48341E-07 -7.3157 0.32590E-07 -7.4869 0.67418E+00 -0.1712
65 BaF+ 0.84165E-10 -10.0749 0.56742E-10 -10.2461 0.67418E+00 -0.1712
66 CH4,aq 0.14642E-10 -10.8344 0.13702E-10 -10.8632 0.93583E+00 -0.0288
72 CO2,aq 0.78777E-01 -1.1036 0.73721E-01 -1.1324 0.93583E+00 -0.0288
73 CO3-2 0.18315E-06 -6.7372 0.38469E-07 -7.4149 0.21004E+00 -0.6777
74 CaCO3,aq 0.18852E-07 -7.7246 0.18852E-07 -7.7246 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.92003E-05 -5.0362 0.62026E-05 -5.2074 0.67418E+00 -0.1712
76 CaCl+ 0.29523E-04 -4.5298 0.19904E-04 -4.7011 0.67418E+00 -0.1712
77 CaCl2,aq 0.11101E-05 -5.9546 0.11101E-05 -5.9546 0.10000E+01 0.0000
78 CaF+ 0.27828E-06 -6.5555 0.18761E-06 -6.7267 0.67418E+00 -0.1712
79 CaOH+ 0.65688E-10 -10.1825 0.44285E-10 -10.3537 0.67418E+00 -0.1712
80 CaSO4,aq 0.16553E-06 -6.7811 0.16553E-06 -6.7811 0.10000E+01 0.0000
81 HCl,aq 0.82893E-06 -6.0815 0.82893E-06 -6.0815 0.10000E+01 0.0000
91 CuCl2- 0.41245E-10 -10.3846 0.27864E-10 -10.5550 0.67557E+00 -0.1703
98 HF,aq 0.11108E-04 -4.9544 0.11108E-04 -4.9544 0.10000E+01 0.0000
99 HF2- 0.11244E-08 -8.9491 0.75964E-09 -9.1194 0.67557E+00 -0.1703
101 FeCl+ 0.24272E-07 -7.6149 0.16364E-07 -7.7861 0.67418E+00 -0.1712
104 FeF+ 0.88178E-09 -9.0546 0.59448E-09 -9.2259 0.67418E+00 -0.1712
107 FeOH+ 0.59314E-10 -10.2268 0.39988E-10 -10.3981 0.67418E+00 -0.1712
113 H2,aq 0.22223E-09 -9.6532 0.20796E-09 -9.6820 0.93583E+00 -0.0288
114 KCl,aq 0.13516E-04 -4.8691 0.13516E-04 -4.8691 0.10000E+01 0.0000
116 KOH,aq 0.49554E-10 -10.3049 0.49554E-10 -10.3049 0.10000E+01 0.0000
117 KSO4- 0.10792E-05 -5.9669 0.72910E-06 -6.1372 0.67557E+00 -0.1703
118 MgCO3,aq 0.46023E-09 -9.3370 0.46023E-09 -9.3370 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.74915E-06 -6.1254 0.50506E-06 -6.2967 0.67418E+00 -0.1712
120 MgCl+ 0.25667E-05 -5.5906 0.17304E-05 -5.7619 0.67418E+00 -0.1712
121 MgF+ 0.89885E-07 -7.0463 0.60598E-07 -7.2175 0.67418E+00 -0.1712
122 MgOH+ 0.39034E-10 -10.4086 0.26316E-10 -10.5798 0.67418E+00 -0.1712
124 MnF+ 0.54529E-08 -8.2634 0.36762E-08 -8.4346 0.67418E+00 -0.1712
126 MnOH+ 0.91721E-10 -10.0375 0.61836E-10 -10.2088 0.67418E+00 -0.1712
131 MnCl+ 0.11793E-05 -5.9284 0.79506E-06 -6.0996 0.67418E+00 -0.1712
132 MnSO4,aq 0.20825E-08 -8.6814 0.20825E-08 -8.6814 0.10000E+01 0.0000
133 NaCl,aq 0.12763E-01 -1.8940 0.12763E-01 -1.8940 0.10000E+01 0.0000
134 NaF,aq 0.87679E-05 -5.0571 0.87679E-05 -5.0571 0.10000E+01 0.0000
135 NaOH,aq 0.19709E-08 -8.7053 0.19709E-08 -8.7053 0.10000E+01 0.0000
137 OH- 0.20273E-07 -7.6931 0.13794E-07 -7.8603 0.68040E+00 -0.1672
140 PbCl+ 0.11375E-08 -8.9440 0.76688E-09 -9.1153 0.67418E+00 -0.1712
141 PbCl2,aq 0.78380E-09 -9.1058 0.78380E-09 -9.1058 0.10000E+01 0.0000
142 PbCl3- 0.11818E-09 -9.9274 0.79841E-10 -10.0978 0.67557E+00 -0.1703
143 PbCl4-2 0.28663E-10 -10.5427 0.60201E-11 -11.2204 0.21004E+00 -0.6777
150 H2S,aq 0.13236E-05 -5.8783 0.12386E-05 -5.9071 0.93583E+00 -0.0288
159 HSO4- 0.56840E-07 -7.2453 0.38522E-07 -7.4143 0.67773E+00 -0.1689
173 ZnCl+ 0.11840E-06 -6.9266 0.79823E-07 -7.0979 0.67418E+00 -0.1712
174 ZnCl2,aq 0.12028E-07 -7.9198 0.12028E-07 -7.9198 0.10000E+01 0.0000
175 ZnCl3- 0.89126E-09 -9.0500 0.60211E-09 -9.2203 0.67557E+00 -0.1703
176 ZnF+ 0.13497E-09 -9.8698 0.90992E-10 -10.0410 0.67418E+00 -0.1712
178 ZnOH+ 0.12425E-08 -8.9057 0.83767E-09 -9.0769 0.67418E+00 -0.1712
Charge balance for all species = -.3160E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2256103E-04 0.7884363E-01 0.7743408E+02 0.0000
2 H2O 0.1000000E+01 0.5542946E+02 0.9730002E+06 0.0000
3 Cl- 0.3638927E+00 0.3767060E+00 0.1301327E+05 4.1915
4 SO4-- 0.4467796E-04 0.4598159E-04 0.4303924E+01 4.5764
5 HCO3- 0.6511499E-02 0.8529829E-01 0.5071348E+04 2.4444
6 HS- 0.3845537E-07 0.1363060E-05 0.4392444E-01 -2.7846
7 H4SiO4 0.6163819E-03 0.6166095E-03 0.5774761E+02 -3.2102
8 Al+++ 0.9893383E-10 0.5392008E-09 0.1417580E-04 2.8718
9 Ca++ 0.4728720E-03 0.5131683E-03 0.2003995E+02 5.5871
10 Mg++ 0.3846496E-04 0.4187117E-04 0.9918970E+00 4.4942
11 Fe++ 0.3573224E-06 0.3825356E-06 0.2081625E-01 2.4627
12 K+ 0.1106577E-01 0.1108036E-01 0.4221665E+03 2.6734
13 Na+ 0.3586682E+00 0.3714404E+00 0.8320610E+04 4.1830
14 Mn++ 0.7217204E-05 0.8404128E-05 0.4498796E+00 3.7686
15 Zn++ 0.9344219E-07 0.2261395E-06 0.1440409E-01 1.8802
16 Cu+ 0.5865022E-14 0.5076775E-10 0.3143156E-05 -9.6034
17 Pb++ 0.4088594E-09 0.2481564E-08 0.5009854E-03 -0.4729
18 Ag+ 0.1312218E-13 0.1017033E-08 0.1068973E-03 -9.2529
19 Au+ 0.8270093E-26 0.1484135E-12 0.2848378E-07 -21.4529
20 Ba++ 0.9147016E-06 0.9907363E-06 0.1325824E+00 2.8792
21 F- 0.3765868E-03 0.3968393E-03 0.7346042E+01 1.2107
22 H2AsO3- 0.4226821E-08 0.3160099E-04 0.3846963E+01 -3.7199
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234484E+00 -.1321464E-04 0.0000000E+00
2 H2O 0.2273934E+03 0.2273940E+03 -.5619320E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4248207E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5591821E-05 0.8438489E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2529581E-02 0.2821601E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2212019E-08 0.2405067E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569315E-05 0.3398977E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.9277155E-06 0.6540461E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.2082698E-09 0.1699489E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.1018038E-07 0.1554840E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4172281E-08 0.4229558E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.6088519E-12 0.2502109E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405067E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.2541E-20 Mass of aqueous solution: 0.421025E+04 g
Temperature = 69.26 C Pressure = 500.00 bar Mixer frac. = 3.1000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2810E-03 -3.551 0.1688E-01 -1.773 92.85 0.6375E-02
argentite 0.2115E-06 -6.675 0.5240E-04 -4.281 0.2883 0.7359E-05
bornite 0.3399E-07 -7.469 0.1706E-04 -4.768 0.9382E-01 0.3356E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.217 0.6196E-04
galena 0.1555E-05 -5.808 0.3720E-03 -3.429 2.046 0.4896E-04
gold,native 0.2502E-11 -11.602 0.4928E-09 -9.307 0.2711E-05 0.2556E-10
silver,native 0.1612E-11 -11.793 0.1739E-09 -9.760 0.9567E-06 0.1656E-10
sphalerite 0.6540E-05 -5.184 0.6372E-03 -3.196 3.505 0.1558E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6081E+00 0.2819E+00 0.4636 -0.550
silver,native 0.3919E+00 0.3983E-01 0.1016 -1.400
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.1000000
Solid products produced: Mass = 0.018180 g Volume = 0.006652 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 69.2575 deg.C
Sat. pressure: 11.5193 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3718E-01 0.9327 0.3995E+00 0.4283E+00
CO2,gas 0.9628E+00 0.9559 0.1060E+02 0.1109E+02
CH4,gas 0.3248E-08 1.0083 0.3773E-07 0.3742E-07
H2,gas 0.3944E-07 1.0067 0.4574E-06 0.4544E-06
H2S,gas 0.3998E-05 0.9458 0.4356E-04 0.4605E-04
S2,gas 0.2148E-18 1.0000 0.2475E-17 0.2475E-17
CO,gas 0.8691E-10 1.0000 0.1001E-08 0.1001E-08
SO3,gas 0.5761E-34 1.0000 0.6637E-33 0.6637E-33
O2,gas 0.5173E-58 1.0000 0.5959E-57 0.5959E-57
SO2,gas 0.1628E-15 1.0000 0.1875E-14 0.1875E-14
HF,gas 0.7747E-09 1.0000 0.8924E-08 0.8924E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.20 -3.20 0.00 0.000 0.00000E+00
197 argentite -30.89 -30.89 0.00 0.000 0.00000E+00
206 bornite -95.38 -95.38 0.00 0.000 0.00000E+00
226 topaz -14.25 -14.25 0.00 0.000 0.55664E-11
261 galena -12.86 -12.86 0.00 0.000 0.00000E+00
262 gold,native -20.63 -20.63 0.00 0.000 0.55664E-11
263 silver,native -7.58 -7.58 0.00 0.000 0.27832E-11
273 sphalerite -10.51 -10.51 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.09 -0.01 -3.10 -3.097 0.48530E+04 -0.398
2 CO2,gas -5.48 -7.15 -1.67 -0.558 0.26221E+04 1.025
3 CH4,gas 5.20 -4.92 -10.12 -2.531 0.15860E+05 -7.423
4 H2,gas 9.59 0.55 -9.04 -5.165 0.14162E+05 -6.340
5 H2S,gas -5.33 -12.39 -7.06 -3.530 0.11061E+05 -4.361
6 S2,gas -5.58 -25.88 -20.31 -3.124 0.31815E+05 -17.607
7 CO,gas 5.11 -6.59 -11.70 -3.600 0.18329E+05 -9.000
8 SO3,gas 21.26 -14.62 -35.88 -8.969 0.56212E+05 -33.178
9 O2,gas 58.80 -1.12 -59.92 -39.949 0.93889E+05 -57.225
10 SO2,gas 3.36 -14.06 -17.43 -4.647 0.27303E+05 -14.727
11 HF,gas 2.36 -8.39 -10.75 -5.374 0.16841E+05 -8.049
12 HCl,gas 4.41 -5.41 -9.82 -4.910 0.15387E+05 -9.820
17 albite-high 2.27 -2.55 -4.82 -0.371 0.75524E+04
18 albite 1.01 -2.55 -3.56 -0.274 0.55849E+04
22 analcite 4.96 0.64 -4.32 -0.480 0.67633E+04
26 anhydrite -4.50 -9.04 -4.54 -2.270 0.71128E+04
34 aragonite 1.56 -1.57 -3.14 -1.045 0.49120E+04
36 calcite 1.43 -1.57 -3.00 -0.999 0.46972E+04
53 coesite -2.55 -3.20 -0.65 -0.216 0.10136E+04
60 cristobalite -2.67 -3.20 -0.53 -0.178 0.83686E+03
65 diaspore 4.36 2.86 -1.50 -0.250 0.23494E+04
66 diamond -3.62 -6.03 -2.41 -0.688 0.37711E+04
83 gibbsite 5.53 2.86 -2.68 -0.382 0.41936E+04
87 graphite -4.08 -6.03 -1.95 -0.558 0.30610E+04
90 halite 1.67 -1.23 -2.90 -1.448 0.45384E+04
99 kaolinite 1.00 -0.68 -1.68 -0.153 0.26345E+04
107 magnesite 1.50 -2.66 -4.16 -1.387 0.65205E+04
117 microcline -1.43 -4.06 -2.63 -0.203 0.41260E+04
121 muscovite 6.58 1.66 -4.92 -0.289 0.77055E+04
143 pyrite -22.17 -22.86 -0.70 -0.164 0.10897E+04
145 pyrrhotiteFe0.875 -5.85 -10.30 -4.45 -1.637 0.69744E+04
147 pyrophyllite -4.00 -7.08 -3.08 -0.192 0.48222E+04
153 rhodochrosite -0.50 -3.39 -2.89 -0.963 0.45270E+04
155 sanidine -0.11 -4.06 -3.95 -0.304 0.61928E+04
157 siderite -2.09 -4.69 -2.61 -0.870 0.40885E+04
171 sulfur -9.47 -12.94 -3.47 -1.069 0.54435E+04
172 sylvite 1.30 -2.74 -4.03 -2.016 0.63181E+04
180 topaz-H 7.48 2.52 -4.95 -0.450 0.77599E+04
181 tridymite -2.75 -3.20 -0.45 -0.150 0.70377E+03
198 arsenic -7.98 -12.47 -4.49 -1.159 0.70353E+04
208 chalcedony -3.00 -3.20 -0.20 -0.068 0.31977E+03
209 chalcocite -30.33 -31.59 -1.27 -0.316 0.19827E+04
211 covellite -21.47 -22.27 -0.80 -0.303 0.12458E+04
212 dawsonite 2.90 -0.11 -3.02 -0.377 0.47278E+04
230 gypsum -4.45 -9.05 -4.60 -1.150 0.72044E+04
246 acanthite -30.84 -30.89 -0.05 -0.013 0.81783E+02
252 barite -9.21 -11.75 -2.54 -1.269 0.39753E+04
253 boehmite 6.11 2.86 -3.25 -0.542 0.50975E+04
254 cerussite -2.74 -7.63 -4.89 -1.629 0.76573E+04
255 chalcopyrite -30.16 -32.19 -2.03 -0.378 0.31863E+04
260 fluorite -9.56 -11.19 -1.64 -0.546 0.25653E+04
270 silica-amorphous -2.13 -3.20 -1.07 -0.356 0.16740E+04
274 wurtzite -8.51 -10.51 -2.00 -0.667 0.31351E+04
Calculations done for 69.2575 Deg. C; 500.0000 bar
Mixer fraction: 3.1000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 69.258 .42430E+00 1.424
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2291E+03
New heat: 1.405 New temperature: 68.213
New mixer fraction: 3.2000000
Resulting temperature: 68.213Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 68.21 C Pressure = 500.00 bar Mixer fraction = 3.2000000
Water: Moles liquid = 0.2333E+03 kg liquid = 0.4202E+01
Moles total = 0.2329E+03 kg total = 0.4197E+01 Activity = 0.9878
Stoichiometric ionic strength = .4141911E+00 Osmotic coef. = 0.9253
True ionic strength = .3629193E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22543E-04 -4.6470 0.15845E-04 -4.8001 0.70290E+00 -0.1531
2 H2O 0.98781E+00 -0.0053 0.98781E+00 -0.0053
3 Cl- 0.35557E+00 -0.4491 0.24084E+00 -0.6183 0.67733E+00 -0.1692
4 SO4-- 0.43639E-04 -4.3601 0.93380E-05 -5.0297 0.21398E+00 -0.6696
5 HCO3- 0.63571E-02 -2.1967 0.43080E-02 -2.3657 0.67766E+00 -0.1690
6 HS- 0.36879E-07 -7.4332 0.24977E-07 -7.6025 0.67726E+00 -0.1692
7 H4SiO4 0.60287E-03 -3.2198 0.60287E-03 -3.2198 0.10000E+01 0.0000
8 Al+++ 0.10627E-09 -9.9736 0.32632E-11 -11.4864 0.30707E-01 -1.5128
9 Ca++ 0.46255E-03 -3.3348 0.95894E-04 -4.0182 0.20731E+00 -0.6834
10 Mg++ 0.37614E-04 -4.4247 0.77423E-05 -5.1111 0.20584E+00 -0.6865
11 Fe++ 0.34932E-06 -6.4568 0.71987E-07 -7.1427 0.20608E+00 -0.6860
12 K+ 0.10803E-01 -1.9665 0.72986E-02 -2.1368 0.67560E+00 -0.1703
13 Na+ 0.35047E+00 -0.4554 0.23618E+00 -0.6268 0.67391E+00 -0.1714
14 Mn++ 0.70837E-05 -5.1497 0.14615E-05 -5.8352 0.20631E+00 -0.6855
15 Zn++ 0.93148E-07 -7.0308 0.19196E-07 -7.7168 0.20608E+00 -0.6860
16 Cu+ 0.53377E-14 -14.2726 0.35970E-14 -14.4441 0.67390E+00 -0.1714
17 Pb++ 0.38797E-09 -9.4112 0.81008E-10 -10.0915 0.20880E+00 -0.6803
18 Ag+ 0.11878E-13 -13.9252 0.80189E-14 -14.0959 0.67509E+00 -0.1706
19 Au+ 0.69404E-26 -26.1586 0.46912E-26 -26.3287 0.67593E+00 -0.1701
20 Ba++ 0.89536E-06 -6.0480 0.18800E-06 -6.7259 0.20997E+00 -0.6778
21 F- 0.36806E-03 -3.4341 0.25177E-03 -3.5990 0.68404E+00 -0.1649
22 H2AsO3- 0.39691E-08 -8.4013 0.28358E-08 -8.5473 0.71447E+00 -0.1460
24 HSiO3- 0.47712E-07 -7.3214 0.32316E-07 -7.4906 0.67733E+00 -0.1692
25 Ca(HSiO3)+ 0.60245E-10 -10.2201 0.40721E-10 -10.3902 0.67593E+00 -0.1701
27 NaHSiO3,aq 0.16911E-06 -6.7718 0.16911E-06 -6.7718 0.10000E+01 0.0000
32 AgCl2- 0.30256E-10 -10.5192 0.20494E-10 -10.6884 0.67733E+00 -0.1692
38 Ag(HS),aq 0.94293E-09 -9.0255 0.94293E-09 -9.0255 0.10000E+01 0.0000
40 AlO+ 0.87117E-10 -10.0599 0.58885E-10 -10.2300 0.67593E+00 -0.1701
41 AlOH+2 0.87168E-10 -10.0596 0.18012E-10 -10.7444 0.20664E+00 -0.6848
42 HAlO2,aq 0.23238E-09 -9.6338 0.23238E-09 -9.6338 0.10000E+01 0.0000
43 AlO2- 0.20654E-10 -10.6850 0.14089E-10 -10.8511 0.68216E+00 -0.1661
44 AsO2- 0.41636E-08 -8.3805 0.28202E-08 -8.5497 0.67733E+00 -0.1692
45 HAsO2,aq 0.14242E-04 -4.8464 0.14242E-04 -4.8464 0.10000E+01 0.0000
46 H3AsO3,aq 0.16599E-04 -4.7799 0.16599E-04 -4.7799 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.25880E-07 -7.5870 0.17539E-07 -7.7560 0.67771E+00 -0.1690
64 BaCl+ 0.45831E-07 -7.3388 0.30978E-07 -7.5089 0.67593E+00 -0.1701
65 BaF+ 0.80140E-10 -10.0961 0.54169E-10 -10.2663 0.67593E+00 -0.1701
66 CH4,aq 0.13981E-10 -10.8545 0.13097E-10 -10.8828 0.93681E+00 -0.0283
72 CO2,aq 0.76902E-01 -1.1141 0.72043E-01 -1.1424 0.93681E+00 -0.0283
73 CO3-2 0.17576E-06 -6.7551 0.37415E-07 -7.4270 0.21288E+00 -0.6719
74 CaCO3,aq 0.17750E-07 -7.7508 0.17750E-07 -7.7508 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.87878E-05 -5.0561 0.59399E-05 -5.2262 0.67593E+00 -0.1701
76 CaCl+ 0.28126E-04 -4.5509 0.19011E-04 -4.7210 0.67593E+00 -0.1701
77 CaCl2,aq 0.10456E-05 -5.9806 0.10456E-05 -5.9806 0.10000E+01 0.0000
78 CaF+ 0.26520E-06 -6.5764 0.17925E-06 -6.7465 0.67593E+00 -0.1701
79 CaOH+ 0.59813E-10 -10.2232 0.40429E-10 -10.3933 0.67593E+00 -0.1701
80 CaSO4,aq 0.16038E-06 -6.7948 0.16038E-06 -6.7948 0.10000E+01 0.0000
81 HCl,aq 0.81387E-06 -6.0894 0.81387E-06 -6.0894 0.10000E+01 0.0000
91 CuCl2- 0.36396E-10 -10.4389 0.24652E-10 -10.6081 0.67733E+00 -0.1692
98 HF,aq 0.10664E-04 -4.9721 0.10664E-04 -4.9721 0.10000E+01 0.0000
99 HF2- 0.10507E-08 -8.9785 0.71164E-09 -9.1477 0.67733E+00 -0.1692
101 FeCl+ 0.23216E-07 -7.6342 0.15692E-07 -7.8043 0.67593E+00 -0.1701
104 FeF+ 0.84568E-09 -9.0728 0.57162E-09 -9.2429 0.67593E+00 -0.1701
107 FeOH+ 0.55451E-10 -10.2561 0.37481E-10 -10.4262 0.67593E+00 -0.1701
113 H2,aq 0.20653E-09 -9.6850 0.19348E-09 -9.7134 0.93681E+00 -0.0283
114 KCl,aq 0.12640E-04 -4.8983 0.12640E-04 -4.8983 0.10000E+01 0.0000
116 KOH,aq 0.45600E-10 -10.3410 0.45600E-10 -10.3410 0.10000E+01 0.0000
117 KSO4- 0.10314E-05 -5.9866 0.69860E-06 -6.1558 0.67733E+00 -0.1692
118 MgCO3,aq 0.43668E-09 -9.3598 0.43668E-09 -9.3598 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.71504E-06 -6.1457 0.48331E-06 -6.3158 0.67593E+00 -0.1701
120 MgCl+ 0.24597E-05 -5.6091 0.16626E-05 -5.7792 0.67593E+00 -0.1701
121 MgF+ 0.85914E-07 -7.0659 0.58072E-07 -7.2360 0.67593E+00 -0.1701
122 MgOH+ 0.35947E-10 -10.4443 0.24298E-10 -10.6144 0.67593E+00 -0.1701
124 MnF+ 0.52385E-08 -8.2808 0.35408E-08 -8.4509 0.67593E+00 -0.1701
126 MnOH+ 0.85428E-10 -10.0684 0.57743E-10 -10.2385 0.67593E+00 -0.1701
131 MnCl+ 0.11131E-05 -5.9535 0.75235E-06 -6.1236 0.67593E+00 -0.1701
132 MnSO4,aq 0.20163E-08 -8.6954 0.20163E-08 -8.6954 0.10000E+01 0.0000
133 NaCl,aq 0.12126E-01 -1.9163 0.12126E-01 -1.9163 0.10000E+01 0.0000
134 NaF,aq 0.83160E-05 -5.0801 0.83160E-05 -5.0801 0.10000E+01 0.0000
135 NaOH,aq 0.18273E-08 -8.7382 0.18273E-08 -8.7382 0.10000E+01 0.0000
137 OH- 0.19200E-07 -7.7167 0.13097E-07 -7.8828 0.68216E+00 -0.1661
140 PbCl+ 0.10559E-08 -8.9764 0.71368E-09 -9.1465 0.67593E+00 -0.1701
141 PbCl2,aq 0.70873E-09 -9.1495 0.70873E-09 -9.1495 0.10000E+01 0.0000
142 PbCl3- 0.10411E-09 -9.9825 0.70517E-10 -10.1517 0.67733E+00 -0.1692
143 PbCl4-2 0.24606E-10 -10.6090 0.52380E-11 -11.2808 0.21288E+00 -0.6719
150 H2S,aq 0.12888E-05 -5.8898 0.12074E-05 -5.9181 0.93681E+00 -0.0283
159 HSO4- 0.54334E-07 -7.2649 0.36916E-07 -7.4328 0.67943E+00 -0.1679
173 ZnCl+ 0.11066E-06 -6.9560 0.74797E-07 -7.1261 0.67593E+00 -0.1701
174 ZnCl2,aq 0.11104E-07 -7.9545 0.11104E-07 -7.9545 0.10000E+01 0.0000
175 ZnCl3- 0.81408E-09 -9.0893 0.55140E-09 -9.2585 0.67733E+00 -0.1692
176 ZnF+ 0.13173E-09 -9.8803 0.89040E-10 -10.0504 0.67593E+00 -0.1701
178 ZnOH+ 0.11555E-08 -8.9372 0.78102E-09 -9.1073 0.67593E+00 -0.1701
Charge balance for all species = -.3084E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2254305E-04 0.7696748E-01 0.7563757E+02 0.0000
2 H2O 0.1000000E+01 0.5543133E+02 0.9736265E+06 0.0000
3 Cl- 0.3555683E+00 0.3677420E+00 0.1271135E+05 4.1818
4 SO4-- 0.4363934E-04 0.4488742E-04 0.4204071E+01 4.5704
5 HCO3- 0.6357113E-02 0.8326855E-01 0.4953690E+04 2.4344
6 HS- 0.3687908E-07 0.1326731E-05 0.4277980E-01 -2.8024
7 H4SiO4 0.6028669E-03 0.6030838E-03 0.5651533E+02 -3.2198
8 Al+++ 0.1062695E-09 0.5335855E-09 0.1403672E-04 2.9139
9 Ca++ 0.4625544E-03 0.5009571E-03 0.1957502E+02 5.5820
10 Mg++ 0.3761363E-04 0.4087481E-04 0.9688844E+00 4.4891
11 Fe++ 0.3493152E-06 0.3734319E-06 0.2033325E-01 2.4574
12 K+ 0.1080302E-01 0.1081670E-01 0.4123720E+03 2.6633
13 Na+ 0.3504670E+00 0.3626017E+00 0.8127567E+04 4.1733
14 Mn++ 0.7083739E-05 0.8204145E-05 0.4394422E+00 3.7650
15 Zn++ 0.9314783E-07 0.2170110E-06 0.1383107E-01 1.8834
16 Cu+ 0.5337662E-14 0.4489027E-10 0.2780962E-05 -9.6440
17 Pb++ 0.3879732E-09 0.2285547E-08 0.4616944E-03 -0.4913
18 Ag+ 0.1187823E-13 0.9803266E-09 0.1031020E-03 -9.2958
19 Au+ 0.6940362E-26 0.1387640E-12 0.2664807E-07 -21.5286
20 Ba++ 0.8953625E-06 0.9671609E-06 0.1295064E+00 2.8743
21 F- 0.3680567E-03 0.3873962E-03 0.7175610E+01 1.2011
22 H2AsO3- 0.3969057E-08 0.3084902E-04 0.3757712E+01 -3.7472
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234484E+00 -.1323094E-04 0.0000000E+00
2 H2O 0.2329443E+03 0.2329448E+03 -.5522912E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4248693E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5575457E-05 0.8454854E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2534401E-02 0.2773396E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2242341E-08 0.2405037E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569311E-05 0.3399370E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.9119679E-06 0.6556208E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1886470E-09 0.1699685E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.9604791E-08 0.1555416E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4119727E-08 0.4230084E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.5831421E-12 0.2527819E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405037E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.431025E+04 g
Temperature = 68.21 C Pressure = 500.00 bar Mixer frac. = 3.2000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2761E-03 -3.559 0.1659E-01 -1.780 92.72 0.6265E-02
argentite 0.2115E-06 -6.675 0.5241E-04 -4.281 0.2929 0.7360E-05
bornite 0.3399E-07 -7.469 0.1706E-04 -4.768 0.9534E-01 0.3356E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.237 0.6196E-04
galena 0.1555E-05 -5.808 0.3721E-03 -3.429 2.080 0.4898E-04
gold,native 0.2528E-11 -11.597 0.4979E-09 -9.303 0.2783E-05 0.2582E-10
silver,native 0.1620E-11 -11.790 0.1748E-09 -9.758 0.9767E-06 0.1664E-10
sphalerite 0.6556E-05 -5.183 0.6388E-03 -3.195 3.570 0.1562E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6094E+00 0.2833E+00 0.4649 -0.548
silver,native 0.3906E+00 0.3905E-01 0.1000 -1.408
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.2000000
Solid products produced: Mass = 0.017892 g Volume = 0.006543 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 68.2134 deg.C
Sat. pressure: 11.0804 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3690E-01 0.9350 0.3823E+00 0.4089E+00
CO2,gas 0.9631E+00 0.9571 0.1021E+02 0.1067E+02
CH4,gas 0.3216E-08 1.0080 0.3592E-07 0.3563E-07
H2,gas 0.3825E-07 1.0065 0.4266E-06 0.4239E-06
H2S,gas 0.3996E-05 0.9474 0.4195E-04 0.4427E-04
S2,gas 0.1984E-18 1.0000 0.2199E-17 0.2199E-17
CO,gas 0.8121E-10 1.0000 0.8999E-09 0.8999E-09
SO3,gas 0.4587E-34 1.0000 0.5082E-33 0.5082E-33
O2,gas 0.3372E-58 1.0000 0.3736E-57 0.3736E-57
SO2,gas 0.1472E-15 1.0000 0.1631E-14 0.1631E-14
HF,gas 0.7358E-09 1.0000 0.8153E-08 0.8153E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.21 -3.21 0.00 0.000 0.00000E+00
197 argentite -30.99 -30.99 0.00 0.000 0.55494E-11
206 bornite -95.65 -95.65 0.00 0.000 -0.22198E-10
226 topaz -14.19 -14.19 0.00 0.000 0.27747E-11
261 galena -12.89 -12.89 0.00 0.000 -0.27747E-11
262 gold,native -20.71 -20.71 0.00 0.000 0.00000E+00
263 silver,native -7.61 -7.61 0.00 0.000 0.13874E-11
273 sphalerite -10.52 -10.52 0.00 0.000 0.27747E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.11 -0.01 -3.12 -3.117 0.48681E+04 -0.418
2 CO2,gas -5.47 -7.16 -1.69 -0.563 0.26395E+04 1.009
3 CH4,gas 5.20 -4.94 -10.14 -2.536 0.15845E+05 -7.445
4 H2,gas 9.62 0.55 -9.07 -5.182 0.14166E+05 -6.370
5 H2S,gas -5.33 -12.40 -7.08 -3.538 0.11053E+05 -4.377
6 S2,gas -5.55 -25.91 -20.36 -3.132 0.31798E+05 -17.658
7 CO,gas 5.14 -6.60 -11.74 -3.614 0.18346E+05 -9.046
8 SO3,gas 21.37 -14.62 -35.99 -8.998 0.56222E+05 -33.294
9 O2,gas 59.01 -1.11 -60.13 -40.084 0.93919E+05 -57.428
10 SO2,gas 3.42 -14.07 -17.49 -4.663 0.27314E+05 -14.787
11 HF,gas 2.39 -8.40 -10.79 -5.394 0.16851E+05 -8.089
12 HCl,gas 4.45 -5.42 -9.87 -4.933 0.15410E+05 -9.866
17 albite-high 2.31 -2.55 -4.86 -0.374 0.75901E+04
18 albite 1.05 -2.55 -3.60 -0.277 0.56185E+04
22 analcite 5.00 0.65 -4.35 -0.483 0.67948E+04
26 anhydrite -4.48 -9.05 -4.56 -2.282 0.71296E+04
34 aragonite 1.58 -1.58 -3.16 -1.055 0.49421E+04
36 calcite 1.44 -1.58 -3.03 -1.009 0.47279E+04
53 coesite -2.56 -3.21 -0.65 -0.216 0.10131E+04
60 cristobalite -2.67 -3.21 -0.54 -0.179 0.83875E+03
65 diaspore 4.41 2.90 -1.51 -0.251 0.23512E+04
66 diamond -3.64 -6.05 -2.40 -0.687 0.37551E+04
83 gibbsite 5.58 2.90 -2.68 -0.383 0.41899E+04
87 graphite -4.10 -6.05 -1.95 -0.557 0.30459E+04
90 halite 1.67 -1.25 -2.92 -1.458 0.45534E+04
99 kaolinite 1.07 -0.62 -1.69 -0.153 0.26320E+04
107 magnesite 1.52 -2.68 -4.20 -1.400 0.65585E+04
117 microcline -1.41 -4.06 -2.65 -0.204 0.41452E+04
121 muscovite 6.70 1.75 -4.95 -0.291 0.77309E+04
143 pyrite -22.21 -22.90 -0.69 -0.162 0.10730E+04
145 pyrrhotiteFe0.875 -5.85 -10.32 -4.47 -1.645 0.69857E+04
147 pyrophyllite -3.94 -7.03 -3.09 -0.193 0.48273E+04
153 rhodochrosite -0.49 -3.40 -2.91 -0.971 0.45500E+04
155 sanidine -0.08 -4.06 -3.98 -0.306 0.62121E+04
157 siderite -2.07 -4.71 -2.64 -0.879 0.41167E+04
171 sulfur -9.48 -12.95 -3.47 -1.068 0.54211E+04
172 sylvite 1.29 -2.76 -4.05 -2.023 0.63198E+04
180 topaz-H 7.57 2.60 -4.97 -0.452 0.77613E+04
181 tridymite -2.76 -3.21 -0.45 -0.150 0.70458E+03
198 arsenic -8.01 -12.50 -4.49 -1.160 0.70195E+04
208 chalcedony -3.00 -3.21 -0.20 -0.068 0.31971E+03
209 chalcocite -30.42 -31.69 -1.27 -0.317 0.19777E+04
211 covellite -21.53 -22.32 -0.79 -0.300 0.12304E+04
212 dawsonite 2.94 -0.09 -3.03 -0.379 0.47312E+04
230 gypsum -4.45 -9.06 -4.61 -1.153 0.72057E+04
246 acanthite -30.94 -30.99 -0.05 -0.013 0.79593E+02
252 barite -9.21 -11.76 -2.54 -1.271 0.39698E+04
253 boehmite 6.17 2.90 -3.27 -0.544 0.51031E+04
254 cerussite -2.75 -7.66 -4.91 -1.637 0.76715E+04
255 chalcopyrite -30.23 -32.27 -2.04 -0.380 0.31875E+04
260 fluorite -9.56 -11.22 -1.66 -0.553 0.25917E+04
270 silica-amorphous -2.14 -3.21 -1.07 -0.358 0.16767E+04
274 wurtzite -8.51 -10.52 -2.01 -0.669 0.31351E+04
Calculations done for 68.2134 Deg. C; 500.0000 bar
Mixer fraction: 3.2000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 68.213 .41419E+00 1.405
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2347E+03
New heat: 1.388 New temperature: 67.217
New mixer fraction: 3.3000000
Resulting temperature: 67.217Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 67.22 C Pressure = 500.00 bar Mixer fraction = 3.3000000
Water: Moles liquid = 0.2388E+03 kg liquid = 0.4302E+01
Moles total = 0.2385E+03 kg total = 0.4297E+01 Activity = 0.9881
Stoichiometric ionic strength = .4045511E+00 Osmotic coef. = 0.9252
True ionic strength = .3547953E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22517E-04 -4.6475 0.15866E-04 -4.7995 0.70463E+00 -0.1520
2 H2O 0.98810E+00 -0.0052 0.98810E+00 -0.0052
3 Cl- 0.34761E+00 -0.4589 0.23604E+00 -0.6270 0.67903E+00 -0.1681
4 SO4-- 0.42648E-04 -4.3701 0.92436E-05 -5.0342 0.21674E+00 -0.6641
5 HCO3- 0.62099E-02 -2.2069 0.42186E-02 -2.3748 0.67934E+00 -0.1679
6 HS- 0.35422E-07 -7.4507 0.24050E-07 -7.6189 0.67896E+00 -0.1682
7 H4SiO4 0.59010E-03 -3.2291 0.59010E-03 -3.2291 0.10000E+01 0.0000
8 Al+++ 0.11376E-09 -9.9440 0.35977E-11 -11.4440 0.31626E-01 -1.5000
9 Ca++ 0.45267E-03 -3.3442 0.95100E-04 -4.0218 0.21009E+00 -0.6776
10 Mg++ 0.36799E-04 -4.4342 0.76772E-05 -5.1148 0.20863E+00 -0.6806
11 Fe++ 0.34166E-06 -6.4664 0.71360E-07 -7.1465 0.20886E+00 -0.6801
12 K+ 0.10552E-01 -1.9766 0.71471E-02 -2.1459 0.67730E+00 -0.1692
13 Na+ 0.34263E+00 -0.4652 0.23149E+00 -0.6355 0.67564E+00 -0.1703
14 Mn++ 0.69542E-05 -5.1578 0.14541E-05 -5.8374 0.20910E+00 -0.6797
15 Zn++ 0.92825E-07 -7.0323 0.19388E-07 -7.7125 0.20886E+00 -0.6801
16 Cu+ 0.48750E-14 -14.3120 0.32938E-14 -14.4823 0.67563E+00 -0.1703
17 Pb++ 0.36873E-09 -9.4333 0.78011E-10 -10.1078 0.21157E+00 -0.6746
18 Ag+ 0.10792E-13 -13.9669 0.73041E-14 -14.1364 0.67680E+00 -0.1695
19 Au+ 0.58612E-26 -26.2320 0.39716E-26 -26.4010 0.67761E+00 -0.1690
20 Ba++ 0.87677E-06 -6.0571 0.18652E-06 -6.7293 0.21273E+00 -0.6722
21 F- 0.35990E-03 -3.4438 0.24679E-03 -3.6077 0.68572E+00 -0.1639
22 H2AsO3- 0.37364E-08 -8.4275 0.26742E-08 -8.5728 0.71572E+00 -0.1453
24 HSiO3- 0.45573E-07 -7.3413 0.30946E-07 -7.5094 0.67903E+00 -0.1681
25 Ca(HSiO3)+ 0.56390E-10 -10.2488 0.38211E-10 -10.4178 0.67761E+00 -0.1690
27 NaHSiO3,aq 0.16144E-06 -6.7920 0.16144E-06 -6.7920 0.10000E+01 0.0000
32 AgCl2- 0.26897E-10 -10.5703 0.18264E-10 -10.7384 0.67903E+00 -0.1681
38 Ag(HS),aq 0.91312E-09 -9.0395 0.91312E-09 -9.0395 0.10000E+01 0.0000
40 AlO+ 0.86335E-10 -10.0638 0.58502E-10 -10.2328 0.67761E+00 -0.1690
41 AlOH+2 0.89633E-10 -10.0475 0.18771E-10 -10.7265 0.20942E+00 -0.6790
42 HAlO2,aq 0.22086E-09 -9.6559 0.22086E-09 -9.6559 0.10000E+01 0.0000
43 AlO2- 0.18993E-10 -10.7214 0.12988E-10 -10.8864 0.68385E+00 -0.1650
44 AsO2- 0.39751E-08 -8.4007 0.26992E-08 -8.5688 0.67903E+00 -0.1681
45 HAsO2,aq 0.13960E-04 -4.8551 0.13960E-04 -4.8551 0.10000E+01 0.0000
46 H3AsO3,aq 0.16164E-04 -4.7914 0.16164E-04 -4.7914 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.24312E-07 -7.6142 0.16517E-07 -7.7821 0.67936E+00 -0.1679
64 BaCl+ 0.43513E-07 -7.3614 0.29485E-07 -7.5304 0.67761E+00 -0.1690
65 BaF+ 0.76405E-10 -10.1169 0.51773E-10 -10.2859 0.67761E+00 -0.1690
66 CH4,aq 0.13374E-10 -10.8737 0.12541E-10 -10.9017 0.93777E+00 -0.0279
72 CO2,aq 0.75114E-01 -1.1243 0.70440E-01 -1.1522 0.93777E+00 -0.0279
73 CO3-2 0.16889E-06 -6.7724 0.36420E-07 -7.4387 0.21564E+00 -0.6663
74 CaCO3,aq 0.16743E-07 -7.7762 0.16743E-07 -7.7762 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.84046E-05 -5.0755 0.56951E-05 -5.2445 0.67761E+00 -0.1690
76 CaCl+ 0.26830E-04 -4.5714 0.18180E-04 -4.7404 0.67761E+00 -0.1690
77 CaCl2,aq 0.98646E-06 -6.0059 0.98646E-06 -6.0059 0.10000E+01 0.0000
78 CaF+ 0.25307E-06 -6.5968 0.17149E-06 -6.7658 0.67761E+00 -0.1690
79 CaOH+ 0.54660E-10 -10.2623 0.37038E-10 -10.4313 0.67761E+00 -0.1690
80 CaSO4,aq 0.15549E-06 -6.8083 0.15549E-06 -6.8083 0.10000E+01 0.0000
81 HCl,aq 0.79924E-06 -6.0973 0.79924E-06 -6.0973 0.10000E+01 0.0000
91 CuCl2- 0.32248E-10 -10.4915 0.21897E-10 -10.6596 0.67903E+00 -0.1681
98 HF,aq 0.10248E-04 -4.9894 0.10248E-04 -4.9894 0.10000E+01 0.0000
99 HF2- 0.98321E-09 -9.0074 0.66763E-09 -9.1755 0.67903E+00 -0.1681
101 FeCl+ 0.22231E-07 -7.6530 0.15064E-07 -7.8221 0.67761E+00 -0.1690
104 FeF+ 0.81192E-09 -9.0905 0.55017E-09 -9.2595 0.67761E+00 -0.1690
107 FeOH+ 0.51976E-10 -10.2842 0.35220E-10 -10.4532 0.67761E+00 -0.1690
113 H2,aq 0.19254E-09 -9.7155 0.18056E-09 -9.7434 0.93777E+00 -0.0279
114 KCl,aq 0.11843E-04 -4.9265 0.11843E-04 -4.9265 0.10000E+01 0.0000
116 KOH,aq 0.42092E-10 -10.3758 0.42092E-10 -10.3758 0.10000E+01 0.0000
117 KSO4- 0.98687E-06 -6.0057 0.67011E-06 -6.1739 0.67903E+00 -0.1681
118 MgCO3,aq 0.41499E-09 -9.3820 0.41499E-09 -9.3820 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.68340E-06 -6.1653 0.46308E-06 -6.3343 0.67761E+00 -0.1690
120 MgCl+ 0.23599E-05 -5.6271 0.15991E-05 -5.7961 0.67761E+00 -0.1690
121 MgF+ 0.82221E-07 -7.0850 0.55714E-07 -7.2540 0.67761E+00 -0.1690
122 MgOH+ 0.33214E-10 -10.4787 0.22506E-10 -10.6477 0.67761E+00 -0.1690
124 MnF+ 0.50370E-08 -8.2978 0.34131E-08 -8.4669 0.67761E+00 -0.1690
126 MnOH+ 0.79774E-10 -10.0981 0.54056E-10 -10.2672 0.67761E+00 -0.1690
131 MnCl+ 0.10522E-05 -5.9779 0.71300E-06 -6.1469 0.67761E+00 -0.1690
132 MnSO4,aq 0.19532E-08 -8.7093 0.19532E-08 -8.7093 0.10000E+01 0.0000
133 NaCl,aq 0.11536E-01 -1.9379 0.11536E-01 -1.9379 0.10000E+01 0.0000
134 NaF,aq 0.78983E-05 -5.1025 0.78983E-05 -5.1025 0.10000E+01 0.0000
135 NaOH,aq 0.16990E-08 -8.7698 0.16990E-08 -8.7698 0.10000E+01 0.0000
137 OH- 0.18226E-07 -7.7393 0.12464E-07 -7.9043 0.68385E+00 -0.1650
140 PbCl+ 0.98226E-09 -9.0078 0.66559E-09 -9.1768 0.67761E+00 -0.1690
141 PbCl2,aq 0.64278E-09 -9.1919 0.64278E-09 -9.1919 0.10000E+01 0.0000
142 PbCl3- 0.92053E-10 -10.0360 0.62507E-10 -10.2041 0.67903E+00 -0.1681
143 PbCl4-2 0.21215E-10 -10.6733 0.45750E-11 -11.3396 0.21564E+00 -0.6663
150 H2S,aq 0.12561E-05 -5.9010 0.11779E-05 -5.9289 0.93777E+00 -0.0279
159 HSO4- 0.52004E-07 -7.2840 0.35418E-07 -7.4508 0.68107E+00 -0.1668
173 ZnCl+ 0.10363E-06 -6.9845 0.70223E-07 -7.1535 0.67761E+00 -0.1690
174 ZnCl2,aq 0.10274E-07 -7.9883 0.10274E-07 -7.9883 0.10000E+01 0.0000
175 ZnCl3- 0.74546E-09 -9.1276 0.50619E-09 -9.2957 0.67903E+00 -0.1681
176 ZnF+ 0.12861E-09 -9.8907 0.87148E-10 -10.0597 0.67761E+00 -0.1690
178 ZnOH+ 0.10775E-08 -8.9676 0.73014E-09 -9.1366 0.67761E+00 -0.1690
Charge balance for all species = -.3013E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2251667E-04 0.7517855E-01 0.7392253E+02 0.0000
2 H2O 0.1000000E+01 0.5543312E+02 0.9742244E+06 0.0000
3 Cl- 0.3476132E+00 0.3591946E+00 0.1242313E+05 4.1725
4 SO4-- 0.4264786E-04 0.4384411E-04 0.4108745E+01 4.5649
5 HCO3- 0.6209889E-02 0.8133316E-01 0.4841368E+04 2.4247
6 HS- 0.3542166E-07 0.1292481E-05 0.4169967E-01 -2.8194
7 H4SiO4 0.5900985E-03 0.5903056E-03 0.5535005E+02 -3.2291
8 Al+++ 0.1137580E-09 0.5295759E-09 0.1393935E-04 2.9546
9 Ca++ 0.4526669E-03 0.4893134E-03 0.1913116E+02 5.5773
10 Mg++ 0.3679880E-04 0.3992476E-04 0.9469155E+00 4.4843
11 Fe++ 0.3416562E-06 0.3647515E-06 0.1987216E-01 2.4525
12 K+ 0.1055246E-01 0.1056529E-01 0.4030217E+03 2.6537
13 Na+ 0.3426294E+00 0.3541738E+00 0.7943279E+04 4.1641
14 Mn++ 0.6954170E-05 0.8013458E-05 0.4294780E+00 3.7617
15 Zn++ 0.9282537E-07 0.2086840E-06 0.1330809E-01 1.8866
16 Cu+ 0.4875050E-14 0.3985618E-10 0.2470536E-05 -9.6828
17 Pb++ 0.3687298E-09 0.2111041E-08 0.4266911E-03 -0.5088
18 Ag+ 0.1079213E-13 0.9463036E-09 0.9958165E-04 -9.3369
19 Au+ 0.5861153E-26 0.1300200E-12 0.2498341E-07 -21.6015
20 Ba++ 0.8767718E-06 0.9446814E-06 0.1265699E+00 2.8698
21 F- 0.3599024E-03 0.3783920E-03 0.7012907E+01 1.1919
22 H2AsO3- 0.3736378E-08 0.3013200E-04 0.3672507E+01 -3.7733
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234484E+00 -.1324555E-04 0.0000000E+00
2 H2O 0.2384951E+03 0.2384956E+03 -.5416291E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4249119E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5560772E-05 0.8469539E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2539732E-02 0.2720085E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2278449E-08 0.2405000E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569308E-05 0.3399713E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.8978427E-06 0.6570334E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1714774E-09 0.1699856E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.9082549E-08 0.1555938E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4071379E-08 0.4230567E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.5593983E-12 0.2551562E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2405000E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.4235E-21 Mass of aqueous solution: 0.441025E+04 g
Temperature = 67.22 C Pressure = 500.00 bar Mixer frac. = 3.3000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2708E-03 -3.567 0.1627E-01 -1.789 92.58 0.6144E-02
argentite 0.2115E-06 -6.675 0.5242E-04 -4.281 0.2983 0.7361E-05
bornite 0.3400E-07 -7.469 0.1706E-04 -4.768 0.9708E-01 0.3356E-05
topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.259 0.6196E-04
galena 0.1556E-05 -5.808 0.3723E-03 -3.429 2.118 0.4899E-04
gold,native 0.2552E-11 -11.593 0.5026E-09 -9.299 0.2860E-05 0.2606E-10
silver,native 0.1627E-11 -11.789 0.1755E-09 -9.756 0.9987E-06 0.1671E-10
sphalerite 0.6570E-05 -5.182 0.6401E-03 -3.194 3.643 0.1566E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6106E+00 0.2846E+00 0.4661 -0.546
silver,native 0.3894E+00 0.3833E-01 0.0984 -1.416
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.3000000
Solid products produced: Mass = 0.017573 g Volume = 0.006422 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 67.2175 deg.C
Sat. pressure: 10.6681 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3665E-01 0.9371 0.3664E+00 0.3910E+00
CO2,gas 0.9633E+00 0.9583 0.9848E+01 0.1028E+02
CH4,gas 0.3186E-08 1.0076 0.3425E-07 0.3399E-07
H2,gas 0.3717E-07 1.0062 0.3990E-06 0.3965E-06
H2S,gas 0.3994E-05 0.9489 0.4044E-04 0.4261E-04
S2,gas 0.1838E-18 1.0000 0.1961E-17 0.1961E-17
CO,gas 0.7610E-10 1.0000 0.8118E-09 0.8118E-09
SO3,gas 0.3683E-34 1.0000 0.3929E-33 0.3929E-33
O2,gas 0.2236E-58 1.0000 0.2385E-57 0.2385E-57
SO2,gas 0.1337E-15 1.0000 0.1426E-14 0.1426E-14
HF,gas 0.7003E-09 1.0000 0.7471E-08 0.7471E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.22 -3.22 0.00 0.000 0.00000E+00
197 argentite -31.09 -31.09 0.00 0.000 0.00000E+00
206 bornite -95.91 -95.91 0.00 0.000 -0.22133E-10
226 topaz -14.13 -14.13 0.00 0.000 0.55332E-11
261 galena -12.93 -12.93 0.00 0.000 0.00000E+00
262 gold,native -20.78 -20.78 0.00 0.000 0.55332E-11
263 silver,native -7.65 -7.65 0.00 0.000 -0.96832E-11
273 sphalerite -10.53 -10.53 0.00 0.000 0.27666E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.13 -0.01 -3.13 -3.135 0.48826E+04 -0.436
2 CO2,gas -5.46 -7.17 -1.71 -0.569 0.26564E+04 0.993
3 CH4,gas 5.20 -4.96 -10.16 -2.541 0.15831E+05 -7.465
4 H2,gas 9.65 0.55 -9.10 -5.199 0.14170E+05 -6.399
5 H2S,gas -5.33 -12.42 -7.09 -3.546 0.11046E+05 -4.393
6 S2,gas -5.53 -25.93 -20.41 -3.139 0.31782E+05 -17.707
7 CO,gas 5.17 -6.62 -11.79 -3.628 0.18362E+05 -9.091
8 SO3,gas 21.48 -14.63 -36.10 -9.026 0.56232E+05 -33.406
9 O2,gas 59.21 -1.11 -60.32 -40.214 0.93949E+05 -57.622
10 SO2,gas 3.47 -14.07 -17.54 -4.679 0.27326E+05 -14.846
11 HF,gas 2.42 -8.41 -10.83 -5.413 0.16860E+05 -8.127
12 HCl,gas 4.48 -5.43 -9.91 -4.955 0.15434E+05 -9.909
17 albite-high 2.35 -2.55 -4.90 -0.377 0.76257E+04
18 albite 1.08 -2.55 -3.63 -0.279 0.56501E+04
22 analcite 5.05 0.67 -4.38 -0.487 0.68245E+04
26 anhydrite -4.47 -9.06 -4.59 -2.294 0.71460E+04
34 aragonite 1.59 -1.60 -3.19 -1.064 0.49710E+04
36 calcite 1.46 -1.60 -3.05 -1.018 0.47574E+04
53 coesite -2.57 -3.22 -0.65 -0.217 0.10127E+04
60 cristobalite -2.68 -3.22 -0.54 -0.180 0.84056E+03
65 diaspore 4.45 2.94 -1.51 -0.252 0.23524E+04
66 diamond -3.66 -6.06 -2.40 -0.686 0.37401E+04
83 gibbsite 5.63 2.94 -2.69 -0.384 0.41860E+04
87 graphite -4.12 -6.06 -1.95 -0.556 0.30318E+04
90 halite 1.67 -1.26 -2.93 -1.467 0.45681E+04
99 kaolinite 1.13 -0.55 -1.69 -0.153 0.26289E+04
107 magnesite 1.54 -2.69 -4.23 -1.412 0.65951E+04
117 microcline -1.39 -4.06 -2.67 -0.206 0.41631E+04
121 muscovite 6.81 1.83 -4.98 -0.293 0.77539E+04
143 pyrite -22.25 -22.93 -0.68 -0.160 0.10574E+04
145 pyrrhotiteFe0.875 -5.85 -10.34 -4.49 -1.652 0.69964E+04
147 pyrophyllite -3.88 -6.99 -3.10 -0.194 0.48314E+04
153 rhodochrosite -0.48 -3.41 -2.94 -0.979 0.45723E+04
155 sanidine -0.06 -4.06 -4.00 -0.308 0.62301E+04
157 siderite -2.06 -4.72 -2.66 -0.887 0.41439E+04
171 sulfur -9.50 -12.97 -3.47 -1.067 0.54000E+04
172 sylvite 1.29 -2.77 -4.06 -2.030 0.63219E+04
180 topaz-H 7.65 2.67 -4.98 -0.453 0.77618E+04
181 tridymite -2.77 -3.22 -0.45 -0.151 0.70535E+03
198 arsenic -8.04 -12.53 -4.50 -1.161 0.70046E+04
208 chalcedony -3.01 -3.22 -0.21 -0.068 0.31966E+03
209 chalcocite -30.52 -31.78 -1.27 -0.317 0.19729E+04
211 covellite -21.59 -22.38 -0.78 -0.297 0.12158E+04
212 dawsonite 2.97 -0.07 -3.04 -0.380 0.47346E+04
230 gypsum -4.44 -9.07 -4.63 -1.157 0.72074E+04
246 acanthite -31.04 -31.09 -0.05 -0.012 0.77512E+02
252 barite -9.22 -11.76 -2.55 -1.273 0.39649E+04
253 boehmite 6.22 2.94 -3.28 -0.547 0.51080E+04
254 cerussite -2.75 -7.68 -4.93 -1.645 0.76853E+04
255 chalcopyrite -30.29 -32.34 -2.05 -0.381 0.31887E+04
260 fluorite -9.56 -11.24 -1.68 -0.560 0.26175E+04
270 silica-amorphous -2.14 -3.22 -1.08 -0.359 0.16794E+04
274 wurtzite -8.52 -10.53 -2.01 -0.671 0.31351E+04
Calculations done for 67.2175 Deg. C; 500.0000 bar
Mixer fraction: 3.3000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 67.217 .40455E+00 1.388
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2402E+03
New heat: 1.371 New temperature: 66.266
New mixer fraction: 3.4000000
Resulting temperature: 66.266Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 66.27 C Pressure = 500.00 bar Mixer fraction = 3.4000000
Water: Moles liquid = 0.2444E+03 kg liquid = 0.4402E+01
Moles total = 0.2440E+03 kg total = 0.4397E+01 Activity = 0.9884
Stoichiometric ionic strength = .3953496E+00 Osmotic coef. = 0.9251
True ionic strength = .3470242E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22483E-04 -4.6481 0.15880E-04 -4.7992 0.70630E+00 -0.1510
2 H2O 0.98837E+00 -0.0051 0.98837E+00 -0.0051
3 Cl- 0.34000E+00 -0.4685 0.23143E+00 -0.6356 0.68067E+00 -0.1671
4 SO4-- 0.41700E-04 -4.3799 0.91504E-05 -5.0386 0.21943E+00 -0.6587
5 HCO3- 0.60693E-02 -2.2169 0.41329E-02 -2.3837 0.68096E+00 -0.1669
6 HS- 0.34071E-07 -7.4676 0.23189E-07 -7.6347 0.68060E+00 -0.1671
7 H4SiO4 0.57802E-03 -3.2381 0.57802E-03 -3.2381 0.10000E+01 0.0000
8 Al+++ 0.12139E-09 -9.9158 0.39495E-11 -11.4035 0.32537E-01 -1.4876
9 Ca++ 0.44318E-03 -3.3534 0.94306E-04 -4.0255 0.21279E+00 -0.6720
10 Mg++ 0.36018E-04 -4.4435 0.76121E-05 -5.1185 0.21134E+00 -0.6750
11 Fe++ 0.33432E-06 -6.4758 0.70734E-07 -7.1504 0.21157E+00 -0.6745
12 K+ 0.10313E-01 -1.9866 0.70020E-02 -2.1548 0.67893E+00 -0.1682
13 Na+ 0.33513E+00 -0.4748 0.22699E+00 -0.6440 0.67732E+00 -0.1692
14 Mn++ 0.68284E-05 -5.1657 0.14463E-05 -5.8397 0.21180E+00 -0.6741
15 Zn++ 0.92480E-07 -7.0340 0.19566E-07 -7.7085 0.21157E+00 -0.6745
16 Cu+ 0.44676E-14 -14.3499 0.30260E-14 -14.5191 0.67731E+00 -0.1692
17 Pb++ 0.35097E-09 -9.4547 0.75201E-10 -10.1238 0.21426E+00 -0.6691
18 Ag+ 0.98399E-14 -14.0070 0.66758E-14 -14.1755 0.67844E+00 -0.1685
19 Au+ 0.49794E-26 -26.3028 0.33822E-26 -26.4708 0.67924E+00 -0.1680
20 Ba++ 0.85889E-06 -6.0661 0.18503E-06 -6.7328 0.21542E+00 -0.6667
21 F- 0.35210E-03 -3.4533 0.24201E-03 -3.6162 0.68734E+00 -0.1628
22 H2AsO3- 0.35256E-08 -8.4528 0.25277E-08 -8.5973 0.71695E+00 -0.1445
24 HSiO3- 0.43615E-07 -7.3604 0.29688E-07 -7.5274 0.68067E+00 -0.1671
25 Ca(HSiO3)+ 0.52916E-10 -10.2764 0.35943E-10 -10.4444 0.67924E+00 -0.1680
27 NaHSiO3,aq 0.15438E-06 -6.8114 0.15438E-06 -6.8114 0.10000E+01 0.0000
32 AgCl2- 0.24003E-10 -10.6197 0.16338E-10 -10.7868 0.68067E+00 -0.1671
38 Ag(HS),aq 0.88512E-09 -9.0530 0.88512E-09 -9.0530 0.10000E+01 0.0000
40 AlO+ 0.85600E-10 -10.0675 0.58143E-10 -10.2355 0.67924E+00 -0.1680
41 AlOH+2 0.92063E-10 -10.0359 0.19529E-10 -10.7093 0.21212E+00 -0.6734
42 HAlO2,aq 0.21039E-09 -9.6770 0.21039E-09 -9.6770 0.10000E+01 0.0000
43 AlO2- 0.17538E-10 -10.7560 0.12022E-10 -10.9200 0.68548E+00 -0.1640
44 AsO2- 0.38012E-08 -8.4201 0.25873E-08 -8.5871 0.68067E+00 -0.1671
45 HAsO2,aq 0.13689E-04 -4.8636 0.13689E-04 -4.8636 0.10000E+01 0.0000
46 H3AsO3,aq 0.15751E-04 -4.8027 0.15751E-04 -4.8027 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.22881E-07 -7.6405 0.15582E-07 -7.8074 0.68097E+00 -0.1669
64 BaCl+ 0.41370E-07 -7.3833 0.28101E-07 -7.5513 0.67924E+00 -0.1680
65 BaF+ 0.72931E-10 -10.1371 0.49538E-10 -10.3051 0.67924E+00 -0.1680
66 CH4,aq 0.12815E-10 -10.8923 0.12029E-10 -10.9198 0.93870E+00 -0.0275
72 CO2,aq 0.73407E-01 -1.1343 0.68908E-01 -1.1617 0.93870E+00 -0.0275
73 CO3-2 0.16250E-06 -6.7892 0.35479E-07 -7.4500 0.21834E+00 -0.6609
74 CaCO3,aq 0.15822E-07 -7.8007 0.15822E-07 -7.8007 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.80481E-05 -5.0943 0.54666E-05 -5.2623 0.67924E+00 -0.1680
76 CaCl+ 0.25626E-04 -4.5913 0.17406E-04 -4.7593 0.67924E+00 -0.1680
77 CaCl2,aq 0.93204E-06 -6.0306 0.93204E-06 -6.0306 0.10000E+01 0.0000
78 CaF+ 0.24181E-06 -6.6165 0.16425E-06 -6.7845 0.67924E+00 -0.1680
79 CaOH+ 0.50121E-10 -10.3000 0.34044E-10 -10.4680 0.67924E+00 -0.1680
80 CaSO4,aq 0.15082E-06 -6.8215 0.15082E-06 -6.8215 0.10000E+01 0.0000
81 HCl,aq 0.78503E-06 -6.1051 0.78503E-06 -6.1051 0.10000E+01 0.0000
91 CuCl2- 0.28683E-10 -10.5424 0.19524E-10 -10.7094 0.68067E+00 -0.1671
98 HF,aq 0.98577E-05 -5.0062 0.98577E-05 -5.0062 0.10000E+01 0.0000
99 HF2- 0.92147E-09 -9.0355 0.62722E-09 -9.2026 0.68067E+00 -0.1671
101 FeCl+ 0.21313E-07 -7.6714 0.14477E-07 -7.8393 0.67924E+00 -0.1680
104 FeF+ 0.78028E-09 -9.1077 0.53000E-09 -9.2757 0.67924E+00 -0.1680
107 FeOH+ 0.48841E-10 -10.3112 0.33175E-10 -10.4792 0.67924E+00 -0.1680
113 H2,aq 0.18002E-09 -9.7447 0.16898E-09 -9.7722 0.93870E+00 -0.0275
114 KCl,aq 0.11117E-04 -4.9540 0.11117E-04 -4.9540 0.10000E+01 0.0000
116 KOH,aq 0.38967E-10 -10.4093 0.38967E-10 -10.4093 0.10000E+01 0.0000
117 KSO4- 0.94532E-06 -6.0244 0.64345E-06 -6.1915 0.68067E+00 -0.1671
118 MgCO3,aq 0.39496E-09 -9.4034 0.39496E-09 -9.4034 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.65398E-06 -6.1844 0.44421E-06 -6.3524 0.67924E+00 -0.1680
120 MgCl+ 0.22665E-05 -5.6447 0.15395E-05 -5.8126 0.67924E+00 -0.1680
121 MgF+ 0.78779E-07 -7.1036 0.53510E-07 -7.2716 0.67924E+00 -0.1680
122 MgOH+ 0.30782E-10 -10.5117 0.20909E-10 -10.6797 0.67924E+00 -0.1680
124 MnF+ 0.48473E-08 -8.3145 0.32925E-08 -8.4825 0.67924E+00 -0.1680
126 MnOH+ 0.74678E-10 -10.1268 0.50725E-10 -10.2948 0.67924E+00 -0.1680
131 MnCl+ 0.99620E-06 -6.0017 0.67666E-06 -6.1696 0.67924E+00 -0.1680
132 MnSO4,aq 0.18930E-08 -8.7229 0.18930E-08 -8.7229 0.10000E+01 0.0000
133 NaCl,aq 0.10989E-01 -1.9590 0.10989E-01 -1.9590 0.10000E+01 0.0000
134 NaF,aq 0.75114E-05 -5.1243 0.75114E-05 -5.1243 0.10000E+01 0.0000
135 NaOH,aq 0.15838E-08 -8.8003 0.15838E-08 -8.8003 0.10000E+01 0.0000
137 OH- 0.17340E-07 -7.7610 0.11886E-07 -7.9250 0.68548E+00 -0.1640
140 PbCl+ 0.91577E-09 -9.0382 0.62203E-09 -9.2062 0.67924E+00 -0.1680
141 PbCl2,aq 0.58463E-09 -9.2331 0.58463E-09 -9.2331 0.10000E+01 0.0000
142 PbCl3- 0.81680E-10 -10.0879 0.55597E-10 -10.2549 0.68067E+00 -0.1671
143 PbCl4-2 0.18368E-10 -10.7359 0.40105E-11 -11.3968 0.21834E+00 -0.6609
150 H2S,aq 0.12251E-05 -5.9118 0.11500E-05 -5.9393 0.93870E+00 -0.0275
159 HSO4- 0.49833E-07 -7.3025 0.34019E-07 -7.4683 0.68266E+00 -0.1658
173 ZnCl+ 0.97244E-07 -7.0121 0.66052E-07 -7.1801 0.67924E+00 -0.1680
174 ZnCl2,aq 0.95280E-08 -8.0210 0.95280E-08 -8.0210 0.10000E+01 0.0000
175 ZnCl3- 0.68426E-09 -9.1648 0.46576E-09 -9.3318 0.68067E+00 -0.1671
176 ZnF+ 0.12561E-09 -9.9010 0.85318E-10 -10.0690 0.67924E+00 -0.1680
178 ZnOH+ 0.10075E-08 -8.9968 0.68432E-09 -9.1647 0.67924E+00 -0.1680
Charge balance for all species = -.2944E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2248296E-04 0.7347089E-01 0.7228354E+02 0.0000
2 H2O 0.1000000E+01 0.5543483E+02 0.9747958E+06 0.0000
3 Cl- 0.3400035E+00 0.3510356E+00 0.1214769E+05 4.1636
4 SO4-- 0.4170039E-04 0.4284820E-04 0.4017647E+01 4.5598
5 HCO3- 0.6069342E-02 0.7948569E-01 0.4734026E+04 2.4154
6 HS- 0.3407073E-07 0.1260132E-05 0.4067859E-01 -2.8356
7 H4SiO4 0.5780216E-03 0.5782196E-03 0.5424694E+02 -3.2381
8 Al+++ 0.1213857E-09 0.5269744E-09 0.1387858E-04 2.9940
9 Ca++ 0.4431841E-03 0.4781988E-03 0.1870699E+02 5.5729
10 Mg++ 0.3601822E-04 0.3901788E-04 0.9259207E+00 4.4798
11 Fe++ 0.3343236E-06 0.3564656E-06 0.1943152E-01 2.4480
12 K+ 0.1031323E-01 0.1032530E-01 0.3940860E+03 2.6444
13 Na+ 0.3351319E+00 0.3461288E+00 0.7767162E+04 4.1552
14 Mn++ 0.6828417E-05 0.7831433E-05 0.4199558E+00 3.7586
15 Zn++ 0.9248024E-07 0.2010692E-06 0.1282961E-01 1.8898
16 Cu+ 0.4467618E-14 0.3552498E-10 0.2203284E-05 -9.7200
17 Pb++ 0.3509732E-09 0.1955184E-08 0.3954083E-03 -0.5255
18 Ag+ 0.9839890E-14 0.9146814E-09 0.9630747E-04 -9.3763
19 Au+ 0.4979378E-26 0.1220751E-12 0.2346984E-07 -21.6716
20 Ba++ 0.8588912E-06 0.9232232E-06 0.1237637E+00 2.8656
21 F- 0.3520997E-03 0.3697969E-03 0.6857418E+01 1.1830
22 H2AsO3- 0.3525591E-08 0.2944756E-04 0.3591081E+01 -3.7981
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234484E+00 -.1325863E-04 0.0000000E+00
2 H2O 0.2440459E+03 0.2440464E+03 -.5299828E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4249492E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5547607E-05 0.8482703E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2545556E-02 0.2661854E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2319953E-08 0.2404959E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569305E-05 0.3400015E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.8851874E-06 0.6582989E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1563952E-09 0.1700007E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.8607505E-08 0.1556413E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.4026796E-08 0.4231013E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.5374238E-12 0.2573537E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404959E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.4235E-21 Mass of aqueous solution: 0.451025E+04 g
Temperature = 66.27 C Pressure = 500.00 bar Mixer frac. = 3.4000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2650E-03 -3.577 0.1592E-01 -1.798 92.43 0.6012E-02
argentite 0.2115E-06 -6.675 0.5242E-04 -4.280 0.3043 0.7362E-05
bornite 0.3400E-07 -7.469 0.1706E-04 -4.768 0.9905E-01 0.3357E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.285 0.6196E-04
galena 0.1556E-05 -5.808 0.3724E-03 -3.429 2.162 0.4901E-04
gold,native 0.2574E-11 -11.589 0.5069E-09 -9.295 0.2943E-05 0.2629E-10
silver,native 0.1633E-11 -11.787 0.1762E-09 -9.754 0.1023E-05 0.1678E-10
sphalerite 0.6583E-05 -5.182 0.6414E-03 -3.193 3.724 0.1569E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6118E+00 0.2859E+00 0.4673 -0.544
silver,native 0.3882E+00 0.3765E-01 0.0970 -1.424
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.4000000
Solid products produced: Mass = 0.017225 g Volume = 0.006291 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 66.2664 deg.C
Sat. pressure: 10.2804 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3644E-01 0.9392 0.3518E+00 0.3746E+00
CO2,gas 0.9636E+00 0.9593 0.9503E+01 0.9906E+01
CH4,gas 0.3158E-08 1.0074 0.3271E-07 0.3247E-07
H2,gas 0.3618E-07 1.0060 0.3742E-06 0.3720E-06
H2S,gas 0.3994E-05 0.9504 0.3903E-04 0.4106E-04
S2,gas 0.1708E-18 1.0000 0.1755E-17 0.1755E-17
CO,gas 0.7149E-10 1.0000 0.7350E-09 0.7350E-09
SO3,gas 0.2983E-34 1.0000 0.3066E-33 0.3066E-33
O2,gas 0.1507E-58 1.0000 0.1549E-57 0.1549E-57
SO2,gas 0.1218E-15 1.0000 0.1252E-14 0.1252E-14
HF,gas 0.6677E-09 1.0000 0.6864E-08 0.6864E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.23 -3.23 0.00 0.000 0.00000E+00
197 argentite -31.19 -31.19 0.00 0.000 0.00000E+00
206 bornite -96.16 -96.16 0.00 0.000 -0.22071E-10
226 topaz -14.08 -14.08 0.00 0.000 0.55178E-11
261 galena -12.96 -12.96 0.00 0.000 0.00000E+00
262 gold,native -20.85 -20.85 0.00 0.000 0.11036E-10
263 silver,native -7.68 -7.68 0.00 0.000 0.41383E-11
273 sphalerite -10.54 -10.54 0.00 0.000 -0.27589E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.15 -0.01 -3.15 -3.153 0.48965E+04 -0.454
2 CO2,gas -5.46 -7.18 -1.72 -0.574 0.26731E+04 0.978
3 CH4,gas 5.20 -4.98 -10.18 -2.546 0.15817E+05 -7.485
4 H2,gas 9.67 0.55 -9.13 -5.215 0.14174E+05 -6.427
5 H2S,gas -5.33 -12.43 -7.11 -3.554 0.11039E+05 -4.409
6 S2,gas -5.50 -25.96 -20.45 -3.147 0.31768E+05 -17.756
7 CO,gas 5.21 -6.63 -11.83 -3.641 0.18378E+05 -9.134
8 SO3,gas 21.58 -14.63 -36.21 -9.053 0.56242E+05 -33.513
9 O2,gas 59.41 -1.10 -60.51 -40.339 0.93977E+05 -57.810
10 SO2,gas 3.52 -14.08 -17.60 -4.694 0.27337E+05 -14.902
11 HF,gas 2.45 -8.42 -10.86 -5.431 0.16870E+05 -8.163
12 HCl,gas 4.52 -5.43 -9.95 -4.976 0.15456E+05 -9.952
17 albite-high 2.39 -2.54 -4.93 -0.379 0.76594E+04
18 albite 1.11 -2.54 -3.66 -0.281 0.56801E+04
22 analcite 5.09 0.68 -4.41 -0.490 0.68527E+04
26 anhydrite -4.45 -9.06 -4.61 -2.306 0.71620E+04
34 aragonite 1.61 -1.61 -3.22 -1.073 0.49988E+04
36 calcite 1.47 -1.61 -3.08 -1.027 0.47859E+04
53 coesite -2.58 -3.23 -0.65 -0.217 0.10123E+04
60 cristobalite -2.69 -3.23 -0.54 -0.181 0.84231E+03
65 diaspore 4.50 2.98 -1.52 -0.253 0.23533E+04
66 diamond -3.68 -6.08 -2.40 -0.685 0.37261E+04
83 gibbsite 5.67 2.98 -2.69 -0.385 0.41819E+04
87 graphite -4.13 -6.08 -1.94 -0.555 0.30186E+04
90 halite 1.67 -1.28 -2.95 -1.475 0.45827E+04
99 kaolinite 1.20 -0.49 -1.69 -0.154 0.26252E+04
107 magnesite 1.57 -2.70 -4.27 -1.423 0.66303E+04
117 microcline -1.36 -4.06 -2.69 -0.207 0.41798E+04
143 pyrite -22.29 -22.97 -0.67 -0.158 0.10428E+04
145 pyrrhotiteFe0.875 -5.85 -10.36 -4.51 -1.659 0.70067E+04
147 pyrophyllite -3.83 -6.94 -3.11 -0.195 0.48345E+04
153 rhodochrosite -0.47 -3.42 -2.96 -0.986 0.45939E+04
155 sanidine -0.03 -4.06 -4.02 -0.309 0.62469E+04
157 siderite -2.05 -4.73 -2.68 -0.895 0.41701E+04
171 sulfur -9.52 -12.98 -3.46 -1.066 0.53802E+04
172 sylvite 1.28 -2.79 -4.07 -2.036 0.63242E+04
180 topaz-H 7.74 2.74 -5.00 -0.454 0.77615E+04
181 tridymite -2.77 -3.23 -0.45 -0.152 0.70608E+03
198 arsenic -8.06 -12.56 -4.50 -1.162 0.69905E+04
208 chalcedony -3.02 -3.23 -0.21 -0.069 0.31961E+03
209 chalcocite -30.61 -31.87 -1.27 -0.317 0.19682E+04
211 covellite -21.65 -22.43 -0.77 -0.295 0.12020E+04
212 dawsonite 3.01 -0.04 -3.05 -0.381 0.47380E+04
230 gypsum -4.43 -9.07 -4.64 -1.160 0.72094E+04
246 acanthite -31.14 -31.19 -0.05 -0.012 0.75533E+02
252 barite -9.22 -11.77 -2.55 -1.275 0.39605E+04
253 boehmite 6.28 2.98 -3.29 -0.549 0.51123E+04
254 cerussite -2.75 -7.71 -4.96 -1.652 0.76987E+04
255 chalcopyrite -30.36 -32.41 -2.05 -0.382 0.31899E+04
260 fluorite -9.56 -11.26 -1.70 -0.567 0.26428E+04
270 silica-amorphous -2.14 -3.23 -1.08 -0.361 0.16820E+04
274 wurtzite -8.53 -10.54 -2.02 -0.673 0.31351E+04
Calculations done for 66.2664 Deg. C; 500.0000 bar
Mixer fraction: 3.4000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 66.266 .39535E+00 1.371
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2458E+03
New heat: 1.355 New temperature: 65.357
New mixer fraction: 3.5000000
Resulting temperature: 65.357Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 65.36 C Pressure = 500.00 bar Mixer fraction = 3.5000000
Water: Moles liquid = 0.2499E+03 kg liquid = 0.4502E+01
Moles total = 0.2496E+03 kg total = 0.4497E+01 Activity = 0.9886
Stoichiometric ionic strength = .3865574E+00 Osmotic coef. = 0.9250
True ionic strength = .3395838E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22443E-04 -4.6489 0.15887E-04 -4.7989 0.70790E+00 -0.1500
2 H2O 0.98862E+00 -0.0050 0.98862E+00 -0.0050
3 Cl- 0.33272E+00 -0.4779 0.22700E+00 -0.6440 0.68226E+00 -0.1661
4 SO4-- 0.40794E-04 -4.3894 0.90585E-05 -5.0429 0.22205E+00 -0.6535
5 HCO3- 0.59350E-02 -2.2266 0.40508E-02 -2.3925 0.68252E+00 -0.1659
6 HS- 0.32816E-07 -7.4839 0.22386E-07 -7.6500 0.68219E+00 -0.1661
7 H4SiO4 0.56659E-03 -3.2467 0.56659E-03 -3.2467 0.10000E+01 0.0000
8 Al+++ 0.12914E-09 -9.8889 0.43181E-11 -11.3647 0.33438E-01 -1.4758
9 Ca++ 0.43408E-03 -3.3624 0.93513E-04 -4.0291 0.21543E+00 -0.6667
10 Mg++ 0.35270E-04 -4.4526 0.75472E-05 -5.1222 0.21398E+00 -0.6696
11 Fe++ 0.32730E-06 -6.4851 0.70112E-07 -7.1542 0.21422E+00 -0.6691
12 K+ 0.10085E-01 -1.9963 0.68628E-02 -2.1635 0.68052E+00 -0.1672
13 Na+ 0.32795E+00 -0.4842 0.22266E+00 -0.6524 0.67894E+00 -0.1682
14 Mn++ 0.67064E-05 -5.1735 0.14381E-05 -5.8422 0.21444E+00 -0.6687
15 Zn++ 0.92117E-07 -7.0357 0.19733E-07 -7.7048 0.21422E+00 -0.6691
16 Cu+ 0.41074E-14 -14.3864 0.27887E-14 -14.5546 0.67893E+00 -0.1682
17 Pb++ 0.33456E-09 -9.4755 0.72565E-10 -10.1393 0.21689E+00 -0.6638
18 Ag+ 0.90017E-14 -14.0457 0.61215E-14 -14.2131 0.68004E+00 -0.1675
19 Au+ 0.42543E-26 -26.3712 0.28964E-26 -26.5381 0.68083E+00 -0.1670
20 Ba++ 0.84168E-06 -6.0749 0.18353E-06 -6.7363 0.21805E+00 -0.6614
21 F- 0.34463E-03 -3.4627 0.23741E-03 -3.6245 0.68889E+00 -0.1619
22 H2AsO3- 0.33340E-08 -8.4770 0.23943E-08 -8.6208 0.71814E+00 -0.1438
24 HSiO3- 0.41817E-07 -7.3787 0.28530E-07 -7.5447 0.68226E+00 -0.1661
25 Ca(HSiO3)+ 0.49775E-10 -10.3030 0.33888E-10 -10.4700 0.68083E+00 -0.1670
27 NaHSiO3,aq 0.14787E-06 -6.8301 0.14787E-06 -6.8301 0.10000E+01 0.0000
32 AgCl2- 0.21499E-10 -10.6676 0.14668E-10 -10.8336 0.68226E+00 -0.1661
38 Ag(HS),aq 0.85878E-09 -9.0661 0.85878E-09 -9.0661 0.10000E+01 0.0000
40 AlO+ 0.84909E-10 -10.0710 0.57808E-10 -10.2380 0.68083E+00 -0.1670
41 AlOH+2 0.94459E-10 -10.0248 0.20286E-10 -10.6928 0.21476E+00 -0.6680
42 HAlO2,aq 0.20085E-09 -9.6971 0.20085E-09 -9.6971 0.10000E+01 0.0000
43 AlO2- 0.16256E-10 -10.7890 0.11169E-10 -10.9520 0.68705E+00 -0.1630
44 AsO2- 0.36403E-08 -8.4389 0.24836E-08 -8.6049 0.68226E+00 -0.1661
45 HAsO2,aq 0.13427E-04 -4.8720 0.13427E-04 -4.8720 0.10000E+01 0.0000
46 H3AsO3,aq 0.15359E-04 -4.8136 0.15359E-04 -4.8136 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.21572E-07 -7.6661 0.14724E-07 -7.8320 0.68253E+00 -0.1659
64 BaCl+ 0.39384E-07 -7.4047 0.26814E-07 -7.5716 0.68083E+00 -0.1670
65 BaF+ 0.69696E-10 -10.1568 0.47451E-10 -10.3238 0.68083E+00 -0.1670
66 CH4,aq 0.12299E-10 -10.9101 0.11556E-10 -10.9372 0.93960E+00 -0.0271
72 CO2,aq 0.71777E-01 -1.1440 0.67442E-01 -1.1711 0.93960E+00 -0.0271
73 CO3-2 0.15654E-06 -6.8054 0.34589E-07 -7.4611 0.22096E+00 -0.6557
74 CaCO3,aq 0.14976E-07 -7.8246 0.14976E-07 -7.8246 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.77156E-05 -5.1126 0.52530E-05 -5.2796 0.68083E+00 -0.1670
76 CaCl+ 0.24505E-04 -4.6107 0.16684E-04 -4.7777 0.68083E+00 -0.1670
77 CaCl2,aq 0.88187E-06 -6.0546 0.88187E-06 -6.0546 0.10000E+01 0.0000
78 CaF+ 0.23132E-06 -6.6358 0.15749E-06 -6.8028 0.68083E+00 -0.1670
79 CaOH+ 0.46106E-10 -10.3362 0.31390E-10 -10.5032 0.68083E+00 -0.1670
80 CaSO4,aq 0.14638E-06 -6.8345 0.14638E-06 -6.8345 0.10000E+01 0.0000
81 HCl,aq 0.77123E-06 -6.1128 0.77123E-06 -6.1128 0.10000E+01 0.0000
91 CuCl2- 0.25607E-10 -10.5916 0.17470E-10 -10.7577 0.68226E+00 -0.1661
98 HF,aq 0.94909E-05 -5.0227 0.94909E-05 -5.0227 0.10000E+01 0.0000
99 HF2- 0.86486E-09 -9.0631 0.59006E-09 -9.2291 0.68226E+00 -0.1661
101 FeCl+ 0.20454E-07 -7.6892 0.13926E-07 -7.8562 0.68083E+00 -0.1670
104 FeF+ 0.75059E-09 -9.1246 0.51102E-09 -9.2916 0.68083E+00 -0.1670
107 FeOH+ 0.46001E-10 -10.3372 0.31319E-10 -10.5042 0.68083E+00 -0.1670
113 H2,aq 0.16878E-09 -9.7727 0.15859E-09 -9.7997 0.93960E+00 -0.0271
114 KCl,aq 0.10454E-04 -4.9807 0.10454E-04 -4.9807 0.10000E+01 0.0000
116 KOH,aq 0.36174E-10 -10.4416 0.36174E-10 -10.4416 0.10000E+01 0.0000
117 KSO4- 0.90649E-06 -6.0426 0.61846E-06 -6.2087 0.68226E+00 -0.1661
118 MgCO3,aq 0.37643E-09 -9.4243 0.37643E-09 -9.4243 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.62657E-06 -6.2030 0.42659E-06 -6.3700 0.68083E+00 -0.1670
120 MgCl+ 0.21789E-05 -5.6618 0.14835E-05 -5.8287 0.68083E+00 -0.1670
121 MgF+ 0.75565E-07 -7.1217 0.51447E-07 -7.2886 0.68083E+00 -0.1670
122 MgOH+ 0.28612E-10 -10.5435 0.19480E-10 -10.7104 0.68083E+00 -0.1670
124 MnF+ 0.46686E-08 -8.3308 0.31785E-08 -8.4978 0.68083E+00 -0.1670
126 MnOH+ 0.70071E-10 -10.1545 0.47706E-10 -10.3214 0.68083E+00 -0.1670
131 MnCl+ 0.94453E-06 -6.0248 0.64306E-06 -6.1917 0.68083E+00 -0.1670
132 MnSO4,aq 0.18355E-08 -8.7363 0.18355E-08 -8.7363 0.10000E+01 0.0000
133 NaCl,aq 0.10481E-01 -1.9796 0.10481E-01 -1.9796 0.10000E+01 0.0000
134 NaF,aq 0.71524E-05 -5.1455 0.71524E-05 -5.1455 0.10000E+01 0.0000
135 NaOH,aq 0.14802E-08 -8.8297 0.14802E-08 -8.8297 0.10000E+01 0.0000
137 OH- 0.16531E-07 -7.7817 0.11357E-07 -7.9447 0.68705E+00 -0.1630
140 PbCl+ 0.85555E-09 -9.0678 0.58248E-09 -9.2347 0.68083E+00 -0.1670
141 PbCl2,aq 0.53321E-09 -9.2731 0.53321E-09 -9.2731 0.10000E+01 0.0000
142 PbCl3- 0.72722E-10 -10.1383 0.49615E-10 -10.3044 0.68226E+00 -0.1661
143 PbCl4-2 0.15967E-10 -10.7968 0.35281E-11 -11.4525 0.22096E+00 -0.6557
150 H2S,aq 0.11958E-05 -5.9223 0.11236E-05 -5.9494 0.93960E+00 -0.0271
159 HSO4- 0.47807E-07 -7.3205 0.32710E-07 -7.4853 0.68420E+00 -0.1648
173 ZnCl+ 0.91420E-07 -7.0390 0.62241E-07 -7.2059 0.68083E+00 -0.1670
174 ZnCl2,aq 0.88549E-08 -8.0528 0.88549E-08 -8.0528 0.10000E+01 0.0000
175 ZnCl3- 0.62953E-09 -9.2010 0.42951E-09 -9.3670 0.68226E+00 -0.1661
176 ZnF+ 0.12272E-09 -9.9111 0.83549E-10 -10.0781 0.68083E+00 -0.1670
178 ZnOH+ 0.94433E-09 -9.0249 0.64293E-09 -9.1918 0.68083E+00 -0.1670
Charge balance for all species = -.2879E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2244291E-04 0.7183908E-01 0.7071565E+02 0.0000
2 H2O 0.1000000E+01 0.5543646E+02 0.9753424E+06 0.0000
3 Cl- 0.3327173E+00 0.3432390E+00 0.1188419E+05 4.1550
4 SO4-- 0.4079406E-04 0.4189653E-04 0.3930501E+01 4.5549
5 HCO3- 0.5935028E-02 0.7772029E-01 0.4631341E+04 2.4065
6 HS- 0.3281551E-07 0.1229526E-05 0.3971169E-01 -2.8511
7 H4SiO4 0.5665859E-03 0.5667756E-03 0.5320155E+02 -3.2467
8 Al+++ 0.1291395E-09 0.5256116E-09 0.1385004E-04 3.0321
9 Ca++ 0.4340823E-03 0.4675778E-03 0.1830122E+02 5.5688
10 Mg++ 0.3526981E-04 0.3815128E-04 0.9058367E+00 4.4757
11 Fe++ 0.3272970E-06 0.3485478E-06 0.1901001E-01 2.4437
12 K+ 0.1008461E-01 0.1009597E-01 0.3855379E+03 2.6354
13 Na+ 0.3279530E+00 0.3384412E+00 0.7598686E+04 4.1466
14 Mn++ 0.6706393E-05 0.7657495E-05 0.4108466E+00 3.7557
15 Zn++ 0.9211709E-07 0.1940888E-06 0.1239079E-01 1.8931
16 Cu+ 0.4107419E-14 0.3178239E-10 0.1972213E-05 -9.7557
17 Pb++ 0.3345637E-09 0.1815551E-08 0.3673646E-03 -0.5414
18 Ag+ 0.9001688E-14 0.8852160E-09 0.9325455E-04 -9.4142
19 Au+ 0.4254302E-26 0.1148377E-12 0.2209013E-07 -21.7392
20 Ba++ 0.8416848E-06 0.9027181E-06 0.1210791E+00 2.8616
21 F- 0.3446262E-03 0.3615837E-03 0.6708675E+01 1.1744
22 H2AsO3- 0.3333993E-08 0.2879352E-04 0.3513188E+01 -3.8219
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234484E+00 -.1327031E-04 0.0000000E+00
2 H2O 0.2495967E+03 0.2495972E+03 -.5173901E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4249822E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5535822E-05 0.8494489E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2551852E-02 0.2598890E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2366515E-08 0.2404912E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569302E-05 0.3400281E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.8738659E-06 0.6594310E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1430971E-09 0.1700140E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.8174339E-08 0.1556846E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.3985599E-08 0.4231425E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.5170457E-12 0.2593915E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404912E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.461025E+04 g
Temperature = 65.36 C Pressure = 500.00 bar Mixer frac. = 3.5000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2587E-03 -3.587 0.1554E-01 -1.808 92.25 0.5869E-02
argentite 0.2116E-06 -6.675 0.5243E-04 -4.280 0.3112 0.7362E-05
bornite 0.3400E-07 -7.468 0.1706E-04 -4.768 0.1013 0.3357E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.314 0.6196E-04
galena 0.1557E-05 -5.808 0.3725E-03 -3.429 2.211 0.4902E-04
gold,native 0.2594E-11 -11.586 0.5109E-09 -9.292 0.3033E-05 0.2650E-10
silver,native 0.1639E-11 -11.785 0.1768E-09 -9.753 0.1049E-05 0.1683E-10
sphalerite 0.6594E-05 -5.181 0.6425E-03 -3.192 3.813 0.1571E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6128E+00 0.2870E+00 0.4683 -0.542
silver,native 0.3872E+00 0.3702E-01 0.0956 -1.432
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.5000000
Solid products produced: Mass = 0.016848 g Volume = 0.006148 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 65.3572 deg.C
Sat. pressure: 9.9155 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3625E-01 0.9411 0.3382E+00 0.3594E+00
CO2,gas 0.9637E+00 0.9604 0.9177E+01 0.9556E+01
CH4,gas 0.3133E-08 1.0071 0.3128E-07 0.3106E-07
H2,gas 0.3527E-07 1.0058 0.3518E-06 0.3498E-06
H2S,gas 0.3995E-05 0.9518 0.3770E-04 0.3961E-04
S2,gas 0.1590E-18 1.0000 0.1577E-17 0.1577E-17
CO,gas 0.6733E-10 1.0000 0.6676E-09 0.6676E-09
SO3,gas 0.2434E-34 1.0000 0.2414E-33 0.2414E-33
O2,gas 0.1031E-58 1.0000 0.1022E-57 0.1022E-57
SO2,gas 0.1114E-15 1.0000 0.1104E-14 0.1104E-14
HF,gas 0.6377E-09 1.0000 0.6323E-08 0.6323E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.24 -3.24 0.00 0.000 0.00000E+00
197 argentite -31.28 -31.28 0.00 0.000 -0.55030E-11
206 bornite -96.40 -96.40 0.00 0.000 0.00000E+00
226 topaz -14.03 -14.03 0.00 0.000 0.00000E+00
261 galena -12.99 -12.99 0.00 0.000 0.00000E+00
262 gold,native -20.93 -20.93 0.00 0.000 0.00000E+00
263 silver,native -7.71 -7.71 0.00 0.000 -0.27515E-11
273 sphalerite -10.56 -10.56 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.16 0.00 -3.17 -3.170 0.49098E+04 -0.471
2 CO2,gas -5.45 -7.19 -1.74 -0.579 0.26894E+04 0.963
3 CH4,gas 5.20 -5.00 -10.20 -2.551 0.15805E+05 -7.505
4 H2,gas 9.70 0.54 -9.15 -5.230 0.14177E+05 -6.454
5 H2S,gas -5.33 -12.45 -7.12 -3.561 0.11033E+05 -4.424
6 S2,gas -5.48 -25.98 -20.50 -3.154 0.31755E+05 -17.802
7 CO,gas 5.24 -6.64 -11.87 -3.654 0.18393E+05 -9.175
8 SO3,gas 21.68 -14.64 -36.32 -9.079 0.56252E+05 -33.617
9 O2,gas 59.59 -1.10 -60.69 -40.460 0.94005E+05 -57.990
10 SO2,gas 3.57 -14.09 -17.66 -4.708 0.27348E+05 -14.957
11 HF,gas 2.47 -8.42 -10.90 -5.449 0.16881E+05 -8.199
12 HCl,gas 4.55 -5.44 -9.99 -4.996 0.15478E+05 -9.993
17 albite-high 2.42 -2.54 -4.97 -0.382 0.76914E+04
18 albite 1.14 -2.54 -3.69 -0.283 0.57085E+04
22 analcite 5.13 0.69 -4.44 -0.493 0.68793E+04
26 anhydrite -4.44 -9.07 -4.63 -2.317 0.71775E+04
34 aragonite 1.62 -1.62 -3.24 -1.082 0.50256E+04
36 calcite 1.48 -1.62 -3.11 -1.036 0.48133E+04
53 coesite -2.58 -3.24 -0.65 -0.218 0.10119E+04
60 cristobalite -2.69 -3.24 -0.54 -0.182 0.84399E+03
65 diaspore 4.54 3.02 -1.52 -0.253 0.23537E+04
66 diamond -3.69 -6.09 -2.40 -0.685 0.37128E+04
83 gibbsite 5.71 3.02 -2.70 -0.385 0.41777E+04
87 graphite -4.15 -6.09 -1.94 -0.555 0.30062E+04
90 halite 1.67 -1.30 -2.97 -1.484 0.45971E+04
99 kaolinite 1.26 -0.43 -1.69 -0.154 0.26209E+04
107 magnesite 1.59 -2.72 -4.30 -1.434 0.66642E+04
117 microcline -1.34 -4.05 -2.71 -0.208 0.41955E+04
143 pyrite -22.33 -23.00 -0.66 -0.156 0.10290E+04
145 pyrrhotiteFe0.875 -5.85 -10.38 -4.53 -1.666 0.70166E+04
147 pyrophyllite -3.78 -6.90 -3.12 -0.195 0.48367E+04
153 rhodochrosite -0.46 -3.44 -2.98 -0.993 0.46148E+04
155 sanidine -0.01 -4.05 -4.04 -0.311 0.62627E+04
157 siderite -2.04 -4.75 -2.71 -0.903 0.41953E+04
171 sulfur -9.53 -12.99 -3.46 -1.065 0.53615E+04
172 sylvite 1.28 -2.81 -4.08 -2.042 0.63269E+04
181 tridymite -2.78 -3.24 -0.46 -0.152 0.70679E+03
198 arsenic -8.09 -12.59 -4.50 -1.162 0.69772E+04
208 chalcedony -3.03 -3.24 -0.21 -0.069 0.31957E+03
209 chalcocite -30.69 -31.96 -1.27 -0.317 0.19638E+04
211 covellite -21.71 -22.48 -0.77 -0.292 0.11889E+04
212 dawsonite 3.04 -0.02 -3.06 -0.383 0.47415E+04
230 gypsum -4.43 -9.08 -4.66 -1.164 0.72116E+04
246 acanthite -31.23 -31.28 -0.05 -0.012 0.73648E+02
252 barite -9.22 -11.78 -2.55 -1.277 0.39565E+04
253 boehmite 6.33 3.02 -3.30 -0.550 0.51161E+04
254 cerussite -2.75 -7.73 -4.98 -1.660 0.77117E+04
255 chalcopyrite -30.42 -32.48 -2.06 -0.383 0.31912E+04
260 fluorite -9.56 -11.28 -1.72 -0.574 0.26675E+04
270 silica-amorphous -2.15 -3.24 -1.09 -0.363 0.16845E+04
274 wurtzite -8.53 -10.56 -2.02 -0.675 0.31352E+04
Calculations done for 65.3572 Deg. C; 500.0000 bar
Mixer fraction: 3.5000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 65.357 .38656E+00 1.355
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2513E+03
New heat: 1.340 New temperature: 64.487
New mixer fraction: 3.6000000
Resulting temperature: 64.487Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 64.49 C Pressure = 500.00 bar Mixer fraction = 3.6000000
Water: Moles liquid = 0.2555E+03 kg liquid = 0.4602E+01
Moles total = 0.2551E+03 kg total = 0.4597E+01 Activity = 0.9889
Stoichiometric ionic strength = .3781478E+00 Osmotic coef. = 0.9250
True ionic strength = .3324535E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22397E-04 -4.6498 0.15890E-04 -4.7989 0.70946E+00 -0.1491
2 H2O 0.98887E+00 -0.0049 0.98887E+00 -0.0049
3 Cl- 0.32573E+00 -0.4871 0.22274E+00 -0.6522 0.68380E+00 -0.1651
4 SO4-- 0.39926E-04 -4.3987 0.89679E-05 -5.0473 0.22461E+00 -0.6486
5 HCO3- 0.58065E-02 -2.2361 0.39719E-02 -2.4010 0.68405E+00 -0.1649
6 HS- 0.31647E-07 -7.4997 0.21637E-07 -7.6648 0.68372E+00 -0.1651
7 H4SiO4 0.55575E-03 -3.2551 0.55575E-03 -3.2551 0.10000E+01 0.0000
8 Al+++ 0.13701E-09 -9.8633 0.47035E-11 -11.3276 0.34330E-01 -1.4643
9 Ca++ 0.42534E-03 -3.3713 0.92722E-04 -4.0328 0.21800E+00 -0.6616
10 Mg++ 0.34552E-04 -4.4615 0.74826E-05 -5.1259 0.21656E+00 -0.6644
11 Fe++ 0.32056E-06 -6.4941 0.69495E-07 -7.1580 0.21679E+00 -0.6640
12 K+ 0.98659E-02 -2.0059 0.67291E-02 -2.1720 0.68206E+00 -0.1662
13 Na+ 0.32107E+00 -0.4934 0.21849E+00 -0.6606 0.68051E+00 -0.1672
14 Mn++ 0.65880E-05 -5.1812 0.14297E-05 -5.8448 0.21702E+00 -0.6635
15 Zn++ 0.91740E-07 -7.0374 0.19889E-07 -7.7014 0.21679E+00 -0.6640
16 Cu+ 0.37878E-14 -14.4216 0.25776E-14 -14.5888 0.68050E+00 -0.1672
17 Pb++ 0.31938E-09 -9.4957 0.70090E-10 -10.1543 0.21946E+00 -0.6586
18 Ag+ 0.82611E-14 -14.0830 0.56306E-14 -14.2494 0.68158E+00 -0.1665
19 Au+ 0.36544E-26 -26.4372 0.24936E-26 -26.6032 0.68236E+00 -0.1660
20 Ba++ 0.82512E-06 -6.0835 0.18203E-06 -6.7399 0.22061E+00 -0.6564
21 F- 0.33746E-03 -3.4718 0.23298E-03 -3.6327 0.69039E+00 -0.1609
22 H2AsO3- 0.31593E-08 -8.5004 0.22725E-08 -8.6435 0.71930E+00 -0.1431
24 HSiO3- 0.40161E-07 -7.3962 0.27462E-07 -7.5613 0.68380E+00 -0.1651
25 Ca(HSiO3)+ 0.46926E-10 -10.3286 0.32020E-10 -10.4946 0.68236E+00 -0.1660
27 NaHSiO3,aq 0.14184E-06 -6.8482 0.14184E-06 -6.8482 0.10000E+01 0.0000
32 AgCl2- 0.19323E-10 -10.7139 0.13213E-10 -10.8790 0.68380E+00 -0.1651
38 Ag(HS),aq 0.83397E-09 -9.0789 0.83397E-09 -9.0789 0.10000E+01 0.0000
40 AlO+ 0.84260E-10 -10.0744 0.57496E-10 -10.2404 0.68236E+00 -0.1660
41 AlOH+2 0.96820E-10 -10.0140 0.21042E-10 -10.6769 0.21733E+00 -0.6629
42 HAlO2,aq 0.19213E-09 -9.7164 0.19213E-09 -9.7164 0.10000E+01 0.0000
43 AlO2- 0.15123E-10 -10.8204 0.10413E-10 -10.9824 0.68856E+00 -0.1621
44 AsO2- 0.34911E-08 -8.4570 0.23872E-08 -8.6221 0.68380E+00 -0.1651
45 HAsO2,aq 0.13175E-04 -4.8803 0.13175E-04 -4.8803 0.10000E+01 0.0000
46 H3AsO3,aq 0.14987E-04 -4.8243 0.14987E-04 -4.8243 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.20372E-07 -7.6910 0.13935E-07 -7.8559 0.68404E+00 -0.1649
64 BaCl+ 0.37541E-07 -7.4255 0.25616E-07 -7.5915 0.68236E+00 -0.1660
65 BaF+ 0.66677E-10 -10.1760 0.45498E-10 -10.3420 0.68236E+00 -0.1660
66 CH4,aq 0.11822E-10 -10.9273 0.11118E-10 -10.9540 0.94048E+00 -0.0267
72 CO2,aq 0.70217E-01 -1.1536 0.66038E-01 -1.1802 0.94048E+00 -0.0267
73 CO3-2 0.15097E-06 -6.8211 0.33746E-07 -7.4718 0.22352E+00 -0.6507
74 CaCO3,aq 0.14199E-07 -7.8478 0.14199E-07 -7.8478 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.74050E-05 -5.1305 0.50529E-05 -5.2965 0.68236E+00 -0.1660
76 CaCl+ 0.23460E-04 -4.6297 0.16008E-04 -4.7957 0.68236E+00 -0.1660
77 CaCl2,aq 0.83552E-06 -6.0780 0.83552E-06 -6.0780 0.10000E+01 0.0000
78 CaF+ 0.22154E-06 -6.6546 0.15117E-06 -6.8205 0.68236E+00 -0.1660
79 CaOH+ 0.42541E-10 -10.3712 0.29029E-10 -10.5372 0.68236E+00 -0.1660
80 CaSO4,aq 0.14215E-06 -6.8472 0.14215E-06 -6.8472 0.10000E+01 0.0000
81 HCl,aq 0.75782E-06 -6.1204 0.75782E-06 -6.1204 0.10000E+01 0.0000
91 CuCl2- 0.22941E-10 -10.6394 0.15687E-10 -10.8045 0.68380E+00 -0.1651
98 HF,aq 0.91458E-05 -5.0388 0.91458E-05 -5.0388 0.10000E+01 0.0000
99 HF2- 0.81286E-09 -9.0900 0.55583E-09 -9.2551 0.68380E+00 -0.1651
101 FeCl+ 0.19650E-07 -7.7066 0.13408E-07 -7.8726 0.68236E+00 -0.1660
104 FeF+ 0.72268E-09 -9.1411 0.49313E-09 -9.3070 0.68236E+00 -0.1660
107 FeOH+ 0.43422E-10 -10.3623 0.29629E-10 -10.5283 0.68236E+00 -0.1660
113 H2,aq 0.15865E-09 -9.7996 0.14921E-09 -9.8262 0.94048E+00 -0.0267
114 KCl,aq 0.98476E-05 -5.0067 0.98476E-05 -5.0067 0.10000E+01 0.0000
116 KOH,aq 0.33669E-10 -10.4728 0.33669E-10 -10.4728 0.10000E+01 0.0000
117 KSO4- 0.87016E-06 -6.0604 0.59501E-06 -6.2255 0.68380E+00 -0.1651
118 MgCO3,aq 0.35925E-09 -9.4446 0.35925E-09 -9.4446 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.60099E-06 -6.2211 0.41009E-06 -6.3871 0.68236E+00 -0.1660
120 MgCl+ 0.20967E-05 -5.6785 0.14307E-05 -5.8444 0.68236E+00 -0.1660
121 MgF+ 0.72559E-07 -7.1393 0.49511E-07 -7.3053 0.68236E+00 -0.1660
122 MgOH+ 0.26667E-10 -10.5740 0.18196E-10 -10.7400 0.68236E+00 -0.1660
124 MnF+ 0.44999E-08 -8.3468 0.30706E-08 -8.5128 0.68236E+00 -0.1660
126 MnOH+ 0.65892E-10 -10.1812 0.44962E-10 -10.3472 0.68236E+00 -0.1660
131 MnCl+ 0.89677E-06 -6.0473 0.61192E-06 -6.2133 0.68236E+00 -0.1660
132 MnSO4,aq 0.17806E-08 -8.7494 0.17806E-08 -8.7494 0.10000E+01 0.0000
133 NaCl,aq 0.10008E-01 -1.9997 0.10008E-01 -1.9997 0.10000E+01 0.0000
134 NaF,aq 0.68187E-05 -5.1663 0.68187E-05 -5.1663 0.10000E+01 0.0000
135 NaOH,aq 0.13867E-08 -8.8580 0.13867E-08 -8.8580 0.10000E+01 0.0000
137 OH- 0.15790E-07 -7.8016 0.10872E-07 -7.9637 0.68856E+00 -0.1621
140 PbCl+ 0.80088E-09 -9.0964 0.54649E-09 -9.2624 0.68236E+00 -0.1660
141 PbCl2,aq 0.48760E-09 -9.3119 0.48760E-09 -9.3119 0.10000E+01 0.0000
142 PbCl3- 0.64957E-10 -10.1874 0.44417E-10 -10.3525 0.68380E+00 -0.1651
143 PbCl4-2 0.13932E-10 -10.8560 0.31142E-11 -11.5067 0.22352E+00 -0.6507
150 H2S,aq 0.11680E-05 -5.9326 0.10985E-05 -5.9592 0.94048E+00 -0.0267
159 HSO4- 0.45915E-07 -7.3380 0.31484E-07 -7.5019 0.68570E+00 -0.1639
173 ZnCl+ 0.86101E-07 -7.0650 0.58752E-07 -7.2310 0.68236E+00 -0.1660
174 ZnCl2,aq 0.82463E-08 -8.0837 0.82463E-08 -8.0837 0.10000E+01 0.0000
175 ZnCl3- 0.58046E-09 -9.2362 0.39692E-09 -9.4013 0.68380E+00 -0.1651
176 ZnF+ 0.11994E-09 -9.9210 0.81841E-10 -10.0870 0.68236E+00 -0.1660
178 ZnOH+ 0.88725E-09 -9.0520 0.60543E-09 -9.2179 0.68236E+00 -0.1660
Charge balance for all species = -.2816E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2239736E-04 0.7027818E-01 0.6921433E+02 0.0000
2 H2O 0.1000000E+01 0.5543802E+02 0.9758657E+06 0.0000
3 Cl- 0.3257347E+00 0.3357812E+00 0.1163189E+05 4.1467
4 SO4-- 0.3992626E-04 0.4098621E-04 0.3847055E+01 4.5504
5 HCO3- 0.5806540E-02 0.7603160E-01 0.4533016E+04 2.3979
6 HS- 0.3164658E-07 0.1200523E-05 0.3879464E-01 -2.8659
7 H4SiO4 0.5557456E-03 0.5559276E-03 0.5220981E+02 -3.2551
8 Al+++ 0.1370069E-09 0.5253416E-09 0.1384997E-04 3.0691
9 Ca++ 0.4253398E-03 0.4574184E-03 0.1791268E+02 5.5649
10 Mg++ 0.3455165E-04 0.3732234E-04 0.8866055E+00 4.4718
11 Fe++ 0.3205580E-06 0.3409741E-06 0.1860639E-01 2.4397
12 K+ 0.9865889E-02 0.9876607E-02 0.3773528E+03 2.6268
13 Na+ 0.3210730E+00 0.3310876E+00 0.7437363E+04 4.1383
14 Mn++ 0.6587999E-05 0.7491115E-05 0.4021241E+00 3.7530
15 Zn++ 0.9173995E-07 0.1876752E-06 0.1198744E-01 1.8964
16 Cu+ 0.3787820E-14 0.2853505E-10 0.1771604E-05 -9.7899
17 Pb++ 0.3193764E-09 0.1690081E-08 0.3421505E-03 -0.5566
18 Ag+ 0.8261062E-14 0.8576955E-09 0.9040130E-04 -9.4506
19 Au+ 0.3654440E-26 0.1082285E-12 0.2082937E-07 -21.8043
20 Ba++ 0.8251186E-06 0.8831041E-06 0.1185086E+00 2.8579
21 F- 0.3374615E-03 0.3537273E-03 0.6566248E+01 1.1662
22 H2AsO3- 0.3159287E-08 0.2816790E-04 0.3438602E+01 -3.8446
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234484E+00 -.1328074E-04 0.0000000E+00
2 H2O 0.2551476E+03 0.2551481E+03 -.5038890E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250113E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5525289E-05 0.8505022E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2558603E-02 0.2531384E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2417833E-08 0.2404861E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569300E-05 0.3400516E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.8637569E-06 0.6604419E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1313298E-09 0.1700258E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.7778432E-08 0.1557242E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.3947460E-08 0.4231806E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.4981112E-12 0.2612850E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404861E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.471025E+04 g
Temperature = 64.49 C Pressure = 500.00 bar Mixer frac. = 3.6000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2519E-03 -3.599 0.1514E-01 -1.820 92.05 0.5716E-02
argentite 0.2116E-06 -6.675 0.5243E-04 -4.280 0.3189 0.7363E-05
bornite 0.3401E-07 -7.468 0.1706E-04 -4.768 0.1038 0.3357E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.346 0.6195E-04
galena 0.1557E-05 -5.808 0.3726E-03 -3.429 2.266 0.4904E-04
gold,native 0.2613E-11 -11.583 0.5147E-09 -9.288 0.3130E-05 0.2669E-10
silver,native 0.1644E-11 -11.784 0.1773E-09 -9.751 0.1078E-05 0.1688E-10
sphalerite 0.6604E-05 -5.180 0.6435E-03 -3.191 3.913 0.1574E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6138E+00 0.2881E+00 0.4693 -0.540
silver,native 0.3862E+00 0.3643E-01 0.0943 -1.439
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.6000000
Solid products produced: Mass = 0.016443 g Volume = 0.005995 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 64.4873 deg.C
Sat. pressure: 9.5716 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3608E-01 0.9429 0.3257E+00 0.3454E+00
CO2,gas 0.9639E+00 0.9614 0.8870E+01 0.9226E+01
CH4,gas 0.3109E-08 1.0068 0.2996E-07 0.2976E-07
H2,gas 0.3444E-07 1.0056 0.3315E-06 0.3297E-06
H2S,gas 0.3996E-05 0.9531 0.3646E-04 0.3825E-04
S2,gas 0.1484E-18 1.0000 0.1421E-17 0.1421E-17
CO,gas 0.6356E-10 1.0000 0.6084E-09 0.6084E-09
SO3,gas 0.2001E-34 1.0000 0.1916E-33 0.1916E-33
O2,gas 0.7159E-59 1.0000 0.6853E-58 0.6853E-58
SO2,gas 0.1022E-15 1.0000 0.9779E-15 0.9779E-15
HF,gas 0.6101E-09 1.0000 0.5840E-08 0.5840E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.25 -3.25 0.00 0.000 0.00000E+00
197 argentite -31.36 -31.36 0.00 0.000 0.00000E+00
206 bornite -96.63 -96.63 0.00 0.000 0.00000E+00
226 topaz -13.98 -13.98 0.00 0.000 -0.54888E-11
261 galena -13.02 -13.02 0.00 0.000 0.54888E-11
262 gold,native -20.99 -20.99 0.00 0.000 0.54888E-11
263 silver,native -7.74 -7.74 0.00 0.000 -0.13722E-11
273 sphalerite -10.57 -10.57 0.00 0.000 0.00000E+00
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.18 0.00 -3.19 -3.186 0.49226E+04 -0.487
2 CO2,gas -5.44 -7.20 -1.75 -0.584 0.27053E+04 0.948
3 CH4,gas 5.20 -5.02 -10.22 -2.556 0.15793E+05 -7.523
4 H2,gas 9.72 0.54 -9.18 -5.245 0.14180E+05 -6.479
5 H2S,gas -5.33 -12.46 -7.14 -3.569 0.11027E+05 -4.438
6 S2,gas -5.46 -26.01 -20.55 -3.161 0.31744E+05 -17.847
7 CO,gas 5.27 -6.65 -11.91 -3.666 0.18408E+05 -9.216
8 SO3,gas 21.78 -14.64 -36.42 -9.104 0.56263E+05 -33.718
9 O2,gas 59.77 -1.09 -60.86 -40.575 0.94032E+05 -58.164
10 SO2,gas 3.61 -14.09 -17.71 -4.722 0.27359E+05 -15.010
11 HF,gas 2.50 -8.43 -10.93 -5.466 0.16891E+05 -8.234
12 HCl,gas 4.58 -5.45 -10.03 -5.016 0.15499E+05 -10.032
17 albite-high 2.46 -2.54 -5.00 -0.384 0.77217E+04
18 albite 1.17 -2.54 -3.71 -0.286 0.57353E+04
22 analcite 5.17 0.70 -4.47 -0.497 0.69045E+04
26 anhydrite -4.42 -9.08 -4.66 -2.328 0.71927E+04
34 aragonite 1.63 -1.63 -3.27 -1.090 0.50515E+04
36 calcite 1.50 -1.63 -3.13 -1.044 0.48397E+04
53 coesite -2.59 -3.25 -0.65 -0.218 0.10115E+04
60 cristobalite -2.70 -3.25 -0.55 -0.182 0.84561E+03
65 diaspore 4.58 3.06 -1.52 -0.254 0.23538E+04
66 diamond -3.71 -6.10 -2.40 -0.684 0.37004E+04
83 gibbsite 5.76 3.05 -2.70 -0.386 0.41734E+04
87 graphite -4.17 -6.10 -1.94 -0.554 0.29945E+04
90 halite 1.67 -1.31 -2.98 -1.492 0.46113E+04
99 kaolinite 1.32 -0.38 -1.69 -0.154 0.26161E+04
107 magnesite 1.61 -2.73 -4.33 -1.445 0.66968E+04
117 microcline -1.32 -4.05 -2.73 -0.210 0.42101E+04
143 pyrite -22.37 -23.03 -0.66 -0.155 0.10161E+04
145 pyrrhotiteFe0.875 -5.85 -10.40 -4.55 -1.673 0.70262E+04
147 pyrophyllite -3.73 -6.86 -3.13 -0.196 0.48381E+04
153 rhodochrosite -0.45 -3.45 -3.00 -1.000 0.46351E+04
155 sanidine 0.01 -4.05 -4.06 -0.313 0.62774E+04
157 siderite -2.03 -4.76 -2.73 -0.910 0.42197E+04
171 sulfur -9.55 -13.00 -3.46 -1.064 0.53439E+04
172 sylvite 1.27 -2.82 -4.10 -2.049 0.63299E+04
181 tridymite -2.79 -3.25 -0.46 -0.153 0.70746E+03
198 arsenic -8.11 -12.62 -4.51 -1.163 0.69646E+04
208 chalcedony -3.04 -3.25 -0.21 -0.069 0.31953E+03
209 chalcocite -30.78 -32.04 -1.27 -0.317 0.19594E+04
211 covellite -21.76 -22.52 -0.76 -0.290 0.11764E+04
212 dawsonite 3.07 0.00 -3.07 -0.384 0.47450E+04
230 gypsum -4.42 -9.09 -4.67 -1.167 0.72140E+04
246 acanthite -31.32 -31.36 -0.05 -0.012 0.71851E+02
252 barite -9.23 -11.79 -2.56 -1.279 0.39531E+04
253 boehmite 6.37 3.06 -3.31 -0.552 0.51194E+04
254 cerussite -2.76 -7.76 -5.00 -1.667 0.77244E+04
255 chalcopyrite -30.48 -32.55 -2.07 -0.384 0.31925E+04
260 fluorite -9.56 -11.30 -1.74 -0.581 0.26918E+04
270 silica-amorphous -2.15 -3.25 -1.09 -0.364 0.16870E+04
274 wurtzite -8.54 -10.57 -2.03 -0.676 0.31352E+04
Calculations done for 64.4873 Deg. C; 500.0000 bar
Mixer fraction: 3.6000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 64.487 .37815E+00 1.340
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2569E+03
New heat: 1.325 New temperature: 63.654
New mixer fraction: 3.7000000
Resulting temperature: 63.654Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 63.65 C Pressure = 500.00 bar Mixer fraction = 3.7000000
Water: Moles liquid = 0.2610E+03 kg liquid = 0.4702E+01
Moles total = 0.2607E+03 kg total = 0.4697E+01 Activity = 0.9891
Stoichiometric ionic strength = .3700962E+00 Osmotic coef. = 0.9249
True ionic strength = .3256146E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22347E-04 -4.6508 0.15888E-04 -4.7989 0.71096E+00 -0.1482
2 H2O 0.98911E+00 -0.0048 0.98911E+00 -0.0048
3 Cl- 0.31904E+00 -0.4962 0.21863E+00 -0.6603 0.68529E+00 -0.1641
4 SO4-- 0.39095E-04 -4.4079 0.88787E-05 -5.0517 0.22711E+00 -0.6438
5 HCO3- 0.56835E-02 -2.2454 0.38962E-02 -2.4094 0.68552E+00 -0.1640
6 HS- 0.30556E-07 -7.5149 0.20937E-07 -7.6791 0.68521E+00 -0.1642
7 H4SiO4 0.54546E-03 -3.2632 0.54546E-03 -3.2632 0.10000E+01 0.0000
8 Al+++ 0.14498E-09 -9.8387 0.51053E-11 -11.2920 0.35215E-01 -1.4533
9 Ca++ 0.41694E-03 -3.3799 0.91936E-04 -4.0365 0.22050E+00 -0.6566
10 Mg++ 0.33862E-04 -4.4703 0.74184E-05 -5.1297 0.21908E+00 -0.6594
11 Fe++ 0.31409E-06 -6.5029 0.68882E-07 -7.1619 0.21931E+00 -0.6589
12 K+ 0.96564E-02 -2.0152 0.66007E-02 -2.1804 0.68356E+00 -0.1652
13 Na+ 0.31447E+00 -0.5024 0.21448E+00 -0.6686 0.68203E+00 -0.1662
14 Mn++ 0.64731E-05 -5.1889 0.14211E-05 -5.8474 0.21953E+00 -0.6585
15 Zn++ 0.91352E-07 -7.0393 0.20034E-07 -7.6982 0.21931E+00 -0.6589
16 Cu+ 0.35033E-14 -14.4555 0.23893E-14 -14.6217 0.68203E+00 -0.1662
17 Pb++ 0.30530E-09 -9.5153 0.67766E-10 -10.1690 0.22196E+00 -0.6537
18 Ag+ 0.76043E-14 -14.1189 0.51944E-14 -14.2845 0.68309E+00 -0.1655
19 Au+ 0.31553E-26 -26.5010 0.21578E-26 -26.6660 0.68385E+00 -0.1650
20 Ba++ 0.80916E-06 -6.0920 0.18054E-06 -6.7434 0.22312E+00 -0.6515
21 F- 0.33059E-03 -3.4807 0.22871E-03 -3.6407 0.69184E+00 -0.1600
22 H2AsO3- 0.29995E-08 -8.5230 0.21610E-08 -8.6654 0.72044E+00 -0.1424
24 HSiO3- 0.38632E-07 -7.4131 0.26474E-07 -7.5772 0.68529E+00 -0.1641
25 Ca(HSiO3)+ 0.44333E-10 -10.3533 0.30317E-10 -10.5183 0.68385E+00 -0.1650
27 NaHSiO3,aq 0.13625E-06 -6.8657 0.13625E-06 -6.8657 0.10000E+01 0.0000
32 AgCl2- 0.17424E-10 -10.7588 0.11941E-10 -10.9230 0.68529E+00 -0.1641
38 Ag(HS),aq 0.81057E-09 -9.0912 0.81057E-09 -9.0912 0.10000E+01 0.0000
40 AlO+ 0.83650E-10 -10.0775 0.57204E-10 -10.2426 0.68385E+00 -0.1650
41 AlOH+2 0.99147E-10 -10.0037 0.21797E-10 -10.6616 0.21985E+00 -0.6579
42 HAlO2,aq 0.18415E-09 -9.7348 0.18415E-09 -9.7348 0.10000E+01 0.0000
43 AlO2- 0.14116E-10 -10.8503 0.97405E-11 -11.0114 0.69002E+00 -0.1611
44 AsO2- 0.33525E-08 -8.4746 0.22974E-08 -8.6388 0.68529E+00 -0.1641
45 HAsO2,aq 0.12931E-04 -4.8884 0.12931E-04 -4.8884 0.10000E+01 0.0000
46 H3AsO3,aq 0.14632E-04 -4.8347 0.14632E-04 -4.8347 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.19268E-07 -7.7152 0.13209E-07 -7.8791 0.68551E+00 -0.1640
64 BaCl+ 0.35826E-07 -7.4458 0.24500E-07 -7.6108 0.68385E+00 -0.1650
65 BaF+ 0.63857E-10 -10.1948 0.43669E-10 -10.3598 0.68385E+00 -0.1650
66 CH4,aq 0.11379E-10 -10.9439 0.10711E-10 -10.9702 0.94133E+00 -0.0263
72 CO2,aq 0.68723E-01 -1.1629 0.64692E-01 -1.1892 0.94133E+00 -0.0263
73 CO3-2 0.14576E-06 -6.8364 0.32945E-07 -7.4822 0.22602E+00 -0.6459
74 CaCO3,aq 0.13482E-07 -7.8703 0.13482E-07 -7.8703 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.71143E-05 -5.1479 0.48651E-05 -5.3129 0.68385E+00 -0.1650
76 CaCl+ 0.22484E-04 -4.6481 0.15376E-04 -4.8132 0.68385E+00 -0.1650
77 CaCl2,aq 0.79263E-06 -6.1009 0.79263E-06 -6.1009 0.10000E+01 0.0000
78 CaF+ 0.21240E-06 -6.6729 0.14525E-06 -6.8379 0.68385E+00 -0.1650
79 CaOH+ 0.39364E-10 -10.4049 0.26919E-10 -10.5699 0.68385E+00 -0.1650
80 CaSO4,aq 0.13812E-06 -6.8598 0.13812E-06 -6.8598 0.10000E+01 0.0000
81 HCl,aq 0.74481E-06 -6.1280 0.74481E-06 -6.1280 0.10000E+01 0.0000
91 CuCl2- 0.20621E-10 -10.6857 0.14131E-10 -10.8498 0.68529E+00 -0.1641
98 HF,aq 0.88209E-05 -5.0545 0.88209E-05 -5.0545 0.10000E+01 0.0000
99 HF2- 0.76502E-09 -9.1163 0.52426E-09 -9.2805 0.68529E+00 -0.1641
101 FeCl+ 0.18896E-07 -7.7236 0.12922E-07 -7.8887 0.68385E+00 -0.1650
104 FeF+ 0.69641E-09 -9.1571 0.47624E-09 -9.3222 0.68385E+00 -0.1650
107 FeOH+ 0.41072E-10 -10.3865 0.28087E-10 -10.5515 0.68385E+00 -0.1650
113 H2,aq 0.14949E-09 -9.8254 0.14072E-09 -9.8516 0.94133E+00 -0.0263
114 KCl,aq 0.92910E-05 -5.0319 0.92910E-05 -5.0319 0.10000E+01 0.0000
116 KOH,aq 0.31415E-10 -10.5029 0.31415E-10 -10.5029 0.10000E+01 0.0000
117 KSO4- 0.83609E-06 -6.0777 0.57296E-06 -6.2419 0.68529E+00 -0.1641
118 MgCO3,aq 0.34329E-09 -9.4643 0.34329E-09 -9.4643 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.57708E-06 -6.2388 0.39464E-06 -6.4038 0.68385E+00 -0.1650
120 MgCl+ 0.20195E-05 -5.6948 0.13810E-05 -5.8598 0.68385E+00 -0.1650
121 MgF+ 0.69742E-07 -7.1565 0.47693E-07 -7.3215 0.68385E+00 -0.1650
122 MgOH+ 0.24918E-10 -10.6035 0.17040E-10 -10.7685 0.68385E+00 -0.1650
124 MnF+ 0.43407E-08 -8.3624 0.29684E-08 -8.5275 0.68385E+00 -0.1650
126 MnOH+ 0.62092E-10 -10.2070 0.42462E-10 -10.3720 0.68385E+00 -0.1650
131 MnCl+ 0.85255E-06 -6.0693 0.58302E-06 -6.2343 0.68385E+00 -0.1650
132 MnSO4,aq 0.17282E-08 -8.7624 0.17282E-08 -8.7624 0.10000E+01 0.0000
133 NaCl,aq 0.95664E-02 -2.0193 0.95664E-02 -2.0193 0.10000E+01 0.0000
134 NaF,aq 0.65081E-05 -5.1865 0.65081E-05 -5.1865 0.10000E+01 0.0000
135 NaOH,aq 0.13019E-08 -8.8854 0.13019E-08 -8.8854 0.10000E+01 0.0000
137 OH- 0.15110E-07 -7.8207 0.10426E-07 -7.9819 0.69002E+00 -0.1611
140 PbCl+ 0.75114E-09 -9.1243 0.51367E-09 -9.2893 0.68385E+00 -0.1650
141 PbCl2,aq 0.44702E-09 -9.3497 0.44702E-09 -9.3497 0.10000E+01 0.0000
142 PbCl3- 0.58201E-10 -10.2351 0.39884E-10 -10.3992 0.68529E+00 -0.1641
143 PbCl4-2 0.12201E-10 -10.9136 0.27577E-11 -11.5595 0.22602E+00 -0.6459
150 H2S,aq 0.11416E-05 -5.9425 0.10746E-05 -5.9688 0.94133E+00 -0.0263
159 HSO4- 0.44144E-07 -7.3551 0.30334E-07 -7.5181 0.68716E+00 -0.1629
173 ZnCl+ 0.81233E-07 -7.0903 0.55552E-07 -7.2553 0.68385E+00 -0.1650
174 ZnCl2,aq 0.76946E-08 -8.1138 0.76946E-08 -8.1138 0.10000E+01 0.0000
175 ZnCl3- 0.53634E-09 -9.2706 0.36755E-09 -9.4347 0.68529E+00 -0.1641
176 ZnF+ 0.11726E-09 -9.9308 0.80191E-10 -10.0959 0.68385E+00 -0.1650
178 ZnOH+ 0.83552E-09 -9.0780 0.57137E-09 -9.2431 0.68385E+00 -0.1650
Charge balance for all species = -.2756E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2234706E-04 0.6878367E-01 0.6777544E+02 0.0000
2 H2O 0.1000000E+01 0.5543951E+02 0.9763673E+06 0.0000
3 Cl- 0.3190371E+00 0.3286406E+00 0.1139007E+05 4.1386
4 SO4-- 0.3909458E-04 0.4011461E-04 0.3767079E+01 4.5462
5 HCO3- 0.5683508E-02 0.7441474E-01 0.4438779E+04 2.3896
6 HS- 0.3055567E-07 0.1172995E-05 0.3792356E-01 -2.8801
7 H4SiO4 0.5454587E-03 0.5456336E-03 0.5126801E+02 -3.2632
8 Al+++ 0.1449758E-09 0.5260384E-09 0.1387509E-04 3.1048
9 Ca++ 0.4169363E-03 0.4476911E-03 0.1754029E+02 5.5614
10 Mg++ 0.3386197E-04 0.3652866E-04 0.8681738E+00 4.4682
11 Fe++ 0.3140895E-06 0.3337226E-06 0.1821956E-01 2.4360
12 K+ 0.9656447E-02 0.9666574E-02 0.3695080E+03 2.6185
13 Na+ 0.3144738E+00 0.3240468E+00 0.7282748E+04 4.1303
14 Mn++ 0.6473133E-05 0.7331811E-05 0.3937644E+00 3.7505
15 Zn++ 0.9135225E-07 0.1817692E-06 0.1161585E-01 1.8996
16 Cu+ 0.3503260E-14 0.2570626E-10 0.1596756E-05 -9.8228
17 Pb++ 0.3052993E-09 0.1577015E-08 0.3194163E-03 -0.5711
18 Ag+ 0.7604279E-14 0.8319352E-09 0.8772886E-04 -9.4855
19 Au+ 0.3155281E-26 0.1021786E-12 0.1967460E-07 -21.8671
20 Ba++ 0.8091602E-06 0.8643243E-06 0.1160449E+00 2.8544
21 F- 0.3305871E-03 0.3462050E-03 0.6429743E+01 1.1582
22 H2AsO3- 0.2999507E-08 0.2756889E-04 0.3367117E+01 -3.8664
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234485E+00 -.1329002E-04 0.0000000E+00
2 H2O 0.2606984E+03 0.2606989E+03 -.4895169E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250371E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5515895E-05 0.8514415E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2565789E-02 0.2459523E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2473644E-08 0.2404805E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569298E-05 0.3400725E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.8547518E-06 0.6613424E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1208812E-09 0.1700362E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.7415760E-08 0.1557605E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.3912094E-08 0.4232160E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.4804850E-12 0.2630476E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404805E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: 0.1694E-20 Mass of aqueous solution: 0.481025E+04 g
Temperature = 63.65 C Pressure = 500.00 bar Mixer frac. = 3.7000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2447E-03 -3.611 0.1470E-01 -1.833 91.83 0.5553E-02
argentite 0.2116E-06 -6.674 0.5244E-04 -4.280 0.3275 0.7364E-05
bornite 0.3401E-07 -7.468 0.1706E-04 -4.768 0.1066 0.3357E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.382 0.6195E-04
galena 0.1558E-05 -5.808 0.3727E-03 -3.429 2.327 0.4905E-04
gold,native 0.2630E-11 -11.580 0.5181E-09 -9.286 0.3236E-05 0.2687E-10
silver,native 0.1648E-11 -11.783 0.1778E-09 -9.750 0.1110E-05 0.1693E-10
sphalerite 0.6613E-05 -5.180 0.6443E-03 -3.191 4.024 0.1576E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6148E+00 0.2891E+00 0.4702 -0.539
silver,native 0.3852E+00 0.3587E-01 0.0931 -1.445
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.7000000
Solid products produced: Mass = 0.016012 g Volume = 0.005832 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 63.6540 deg.C
Sat. pressure: 9.2472 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3595E-01 0.9446 0.3140E+00 0.3324E+00
CO2,gas 0.9641E+00 0.9623 0.8579E+01 0.8915E+01
CH4,gas 0.3087E-08 1.0066 0.2874E-07 0.2855E-07
H2,gas 0.3368E-07 1.0055 0.3131E-06 0.3114E-06
H2S,gas 0.3998E-05 0.9544 0.3528E-04 0.3697E-04
S2,gas 0.1389E-18 1.0000 0.1284E-17 0.1284E-17
CO,gas 0.6013E-10 1.0000 0.5560E-09 0.5560E-09
SO3,gas 0.1657E-34 1.0000 0.1532E-33 0.1532E-33
O2,gas 0.5039E-59 1.0000 0.4660E-58 0.4660E-58
SO2,gas 0.9402E-16 1.0000 0.8694E-15 0.8694E-15
HF,gas 0.5846E-09 1.0000 0.5406E-08 0.5406E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.25 -3.25 0.00 0.000 0.00000E+00
197 argentite -31.45 -31.45 0.00 0.000 0.00000E+00
206 bornite -96.86 -96.86 0.00 0.000 0.00000E+00
226 topaz -13.93 -13.93 0.00 0.000 -0.27376E-11
261 galena -13.05 -13.05 0.00 0.000 0.00000E+00
262 gold,native -21.06 -21.06 0.00 0.000 0.10951E-10
263 silver,native -7.77 -7.77 0.00 0.000 0.00000E+00
273 sphalerite -10.58 -10.58 0.00 0.000 -0.54753E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.20 0.00 -3.20 -3.202 0.49349E+04 -0.503
2 CO2,gas -5.44 -7.20 -1.77 -0.589 0.27210E+04 0.933
3 CH4,gas 5.20 -5.04 -10.24 -2.560 0.15782E+05 -7.542
4 H2,gas 9.74 0.54 -9.20 -5.259 0.14184E+05 -6.504
5 H2S,gas -5.33 -12.48 -7.15 -3.576 0.11021E+05 -4.452
6 S2,gas -5.44 -26.03 -20.59 -3.168 0.31733E+05 -17.891
7 CO,gas 5.29 -6.66 -11.95 -3.678 0.18423E+05 -9.255
8 SO3,gas 21.87 -14.64 -36.51 -9.128 0.56273E+05 -33.815
9 O2,gas 59.94 -1.09 -61.03 -40.687 0.94058E+05 -58.332
10 SO2,gas 3.66 -14.10 -17.76 -4.736 0.27371E+05 -15.061
11 HF,gas 2.53 -8.44 -10.97 -5.483 0.16900E+05 -8.267
12 HCl,gas 4.61 -5.46 -10.07 -5.035 0.15520E+05 -10.071
18 albite 1.20 -2.54 -3.74 -0.288 0.57608E+04
22 analcite 5.21 0.71 -4.50 -0.500 0.69284E+04
26 anhydrite -4.41 -9.09 -4.68 -2.338 0.72075E+04
34 aragonite 1.65 -1.65 -3.29 -1.098 0.50765E+04
36 calcite 1.51 -1.65 -3.16 -1.052 0.48652E+04
53 coesite -2.60 -3.25 -0.66 -0.219 0.10111E+04
60 cristobalite -2.70 -3.25 -0.55 -0.183 0.84717E+03
65 diaspore 4.62 3.10 -1.53 -0.255 0.23535E+04
66 diamond -3.72 -6.12 -2.39 -0.684 0.36888E+04
83 gibbsite 5.80 3.09 -2.71 -0.386 0.41689E+04
87 graphite -4.18 -6.12 -1.94 -0.553 0.29836E+04
90 halite 1.67 -1.33 -3.00 -1.501 0.46253E+04
99 kaolinite 1.37 -0.32 -1.69 -0.154 0.26109E+04
107 magnesite 1.63 -2.74 -4.37 -1.455 0.67283E+04
117 microcline -1.31 -4.05 -2.74 -0.211 0.42239E+04
143 pyrite -22.41 -23.06 -0.65 -0.153 0.10040E+04
145 pyrrhotiteFe0.875 -5.85 -10.41 -4.56 -1.679 0.70354E+04
147 pyrophyllite -3.68 -6.82 -3.14 -0.196 0.48389E+04
153 rhodochrosite -0.44 -3.46 -3.02 -1.007 0.46548E+04
155 sanidine 0.03 -4.05 -4.08 -0.314 0.62913E+04
157 siderite -2.02 -4.77 -2.75 -0.918 0.42432E+04
171 sulfur -9.56 -13.02 -3.46 -1.064 0.53272E+04
172 sylvite 1.27 -2.84 -4.11 -2.055 0.63331E+04
181 tridymite -2.79 -3.25 -0.46 -0.153 0.70811E+03
198 arsenic -8.13 -12.64 -4.51 -1.164 0.69527E+04
208 chalcedony -3.05 -3.25 -0.21 -0.069 0.31950E+03
209 chalcocite -30.85 -32.12 -1.27 -0.317 0.19552E+04
211 covellite -21.81 -22.57 -0.76 -0.288 0.11645E+04
212 dawsonite 3.10 0.02 -3.08 -0.385 0.47486E+04
230 gypsum -4.42 -9.10 -4.68 -1.171 0.72167E+04
246 acanthite -31.40 -31.45 -0.05 -0.011 0.70136E+02
252 barite -9.23 -11.80 -2.56 -1.282 0.39500E+04
253 boehmite 6.42 3.10 -3.32 -0.554 0.51222E+04
255 chalcopyrite -30.54 -32.61 -2.07 -0.386 0.31940E+04
260 fluorite -9.56 -11.32 -1.76 -0.587 0.27156E+04
270 silica-amorphous -2.16 -3.25 -1.10 -0.365 0.16894E+04
274 wurtzite -8.54 -10.58 -2.03 -0.678 0.31352E+04
Calculations done for 63.6540 Deg. C; 500.0000 bar
Mixer fraction: 3.7000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 63.654 .37010E+00 1.325
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2624E+03
New heat: 1.311 New temperature: 62.855
New mixer fraction: 3.8000000
Resulting temperature: 62.855Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 62.86 C Pressure = 500.00 bar Mixer fraction = 3.8000000
Water: Moles liquid = 0.2666E+03 kg liquid = 0.4802E+01
Moles total = 0.2662E+03 kg total = 0.4797E+01 Activity = 0.9893
Stoichiometric ionic strength = .3623804E+00 Osmotic coef. = 0.9249
True ionic strength = .3190495E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22293E-04 -4.6518 0.15882E-04 -4.7991 0.71241E+00 -0.1473
2 H2O 0.98933E+00 -0.0047 0.98933E+00 -0.0047
3 Cl- 0.31261E+00 -0.5050 0.21468E+00 -0.6682 0.68673E+00 -0.1632
4 SO4-- 0.38297E-04 -4.4168 0.87909E-05 -5.0560 0.22955E+00 -0.6391
5 HCO3- 0.55656E-02 -2.2545 0.38234E-02 -2.4176 0.68696E+00 -0.1631
6 HS- 0.29536E-07 -7.5297 0.20281E-07 -7.6929 0.68666E+00 -0.1633
7 H4SiO4 0.53569E-03 -3.2711 0.53569E-03 -3.2711 0.10000E+01 0.0000
8 Al+++ 0.15303E-09 -9.8152 0.55231E-11 -11.2578 0.36090E-01 -1.4426
9 Ca++ 0.40885E-03 -3.3884 0.91156E-04 -4.0402 0.22296E+00 -0.6518
10 Mg++ 0.33199E-04 -4.4789 0.73548E-05 -5.1334 0.22154E+00 -0.6546
11 Fe++ 0.30788E-06 -6.5116 0.68275E-07 -7.1657 0.22176E+00 -0.6541
12 K+ 0.94557E-02 -2.0243 0.64773E-02 -2.1886 0.68501E+00 -0.1643
13 Na+ 0.30814E+00 -0.5113 0.21062E+00 -0.6765 0.68352E+00 -0.1653
14 Mn++ 0.63617E-05 -5.1964 0.14122E-05 -5.8501 0.22199E+00 -0.6537
15 Zn++ 0.90957E-07 -7.0412 0.20171E-07 -7.6953 0.22176E+00 -0.6541
16 Cu+ 0.32491E-14 -14.4882 0.22208E-14 -14.6535 0.68351E+00 -0.1653
17 Pb++ 0.29223E-09 -9.5343 0.65580E-10 -10.1832 0.22441E+00 -0.6490
18 Ag+ 0.70198E-14 -14.1537 0.48054E-14 -14.3183 0.68455E+00 -0.1646
19 Au+ 0.27376E-26 -26.5626 0.18761E-26 -26.7267 0.68531E+00 -0.1641
20 Ba++ 0.79378E-06 -6.1003 0.17905E-06 -6.7470 0.22556E+00 -0.6467
21 F- 0.32399E-03 -3.4895 0.22460E-03 -3.6486 0.69324E+00 -0.1591
22 H2AsO3- 0.28530E-08 -8.5447 0.20586E-08 -8.6864 0.72155E+00 -0.1417
24 HSiO3- 0.37218E-07 -7.4293 0.25559E-07 -7.5925 0.68673E+00 -0.1632
25 Ca(HSiO3)+ 0.41967E-10 -10.3771 0.28761E-10 -10.5412 0.68531E+00 -0.1641
27 NaHSiO3,aq 0.13106E-06 -6.8825 0.13106E-06 -6.8825 0.10000E+01 0.0000
32 AgCl2- 0.15762E-10 -10.8024 0.10824E-10 -10.9656 0.68673E+00 -0.1632
38 Ag(HS),aq 0.78847E-09 -9.1032 0.78847E-09 -9.1032 0.10000E+01 0.0000
40 AlO+ 0.83077E-10 -10.0805 0.56933E-10 -10.2446 0.68531E+00 -0.1641
41 AlOH+2 0.10144E-09 -9.9938 0.22551E-10 -10.6468 0.22230E+00 -0.6531
42 HAlO2,aq 0.17682E-09 -9.7525 0.17682E-09 -9.7525 0.10000E+01 0.0000
43 AlO2- 0.13218E-10 -10.8788 0.91395E-11 -11.0391 0.69144E+00 -0.1602
44 AsO2- 0.32235E-08 -8.4917 0.22137E-08 -8.6549 0.68673E+00 -0.1632
45 HAsO2,aq 0.12696E-04 -4.8963 0.12696E-04 -4.8963 0.10000E+01 0.0000
46 H3AsO3,aq 0.14293E-04 -4.8449 0.14293E-04 -4.8449 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.18252E-07 -7.7387 0.12538E-07 -7.9018 0.68695E+00 -0.1631
64 BaCl+ 0.34229E-07 -7.4656 0.23457E-07 -7.6297 0.68531E+00 -0.1641
65 BaF+ 0.61217E-10 -10.2131 0.41952E-10 -10.3772 0.68531E+00 -0.1641
66 CH4,aq 0.10967E-10 -10.9599 0.10332E-10 -10.9858 0.94216E+00 -0.0259
72 CO2,aq 0.67292E-01 -1.1720 0.63400E-01 -1.1979 0.94216E+00 -0.0259
73 CO3-2 0.14088E-06 -6.8512 0.32185E-07 -7.4924 0.22846E+00 -0.6412
74 CaCO3,aq 0.12820E-07 -7.8921 0.12820E-07 -7.8921 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.68418E-05 -5.1648 0.46887E-05 -5.3289 0.68531E+00 -0.1641
76 CaCl+ 0.21570E-04 -4.6661 0.14782E-04 -4.8303 0.68531E+00 -0.1641
77 CaCl2,aq 0.75285E-06 -6.1233 0.75285E-06 -6.1233 0.10000E+01 0.0000
78 CaF+ 0.20384E-06 -6.6907 0.13970E-06 -6.8548 0.68531E+00 -0.1641
79 CaOH+ 0.36523E-10 -10.4374 0.25029E-10 -10.6016 0.68531E+00 -0.1641
80 CaSO4,aq 0.13426E-06 -6.8720 0.13426E-06 -6.8720 0.10000E+01 0.0000
81 HCl,aq 0.73217E-06 -6.1354 0.73217E-06 -6.1354 0.10000E+01 0.0000
91 CuCl2- 0.18596E-10 -10.7306 0.12770E-10 -10.8938 0.68673E+00 -0.1632
98 HF,aq 0.85146E-05 -5.0698 0.85146E-05 -5.0698 0.10000E+01 0.0000
99 HF2- 0.72094E-09 -9.1421 0.49509E-09 -9.3053 0.68673E+00 -0.1632
101 FeCl+ 0.18187E-07 -7.7402 0.12464E-07 -7.9044 0.68531E+00 -0.1641
104 FeF+ 0.67165E-09 -9.1729 0.46028E-09 -9.3370 0.68531E+00 -0.1641
107 FeOH+ 0.38925E-10 -10.4098 0.26676E-10 -10.5739 0.68531E+00 -0.1641
113 H2,aq 0.14119E-09 -9.8502 0.13302E-09 -9.8761 0.94216E+00 -0.0259
114 KCl,aq 0.87793E-05 -5.0565 0.87793E-05 -5.0565 0.10000E+01 0.0000
116 KOH,aq 0.29380E-10 -10.5319 0.29380E-10 -10.5319 0.10000E+01 0.0000
117 KSO4- 0.80411E-06 -6.0947 0.55221E-06 -6.2579 0.68673E+00 -0.1632
118 MgCO3,aq 0.32844E-09 -9.4835 0.32844E-09 -9.4835 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.55467E-06 -6.2560 0.38012E-06 -6.4201 0.68531E+00 -0.1641
120 MgCl+ 0.19468E-05 -5.7107 0.13341E-05 -5.8748 0.68531E+00 -0.1641
121 MgF+ 0.67098E-07 -7.1733 0.45983E-07 -7.3374 0.68531E+00 -0.1641
122 MgOH+ 0.23340E-10 -10.6319 0.15995E-10 -10.7960 0.68531E+00 -0.1641
124 MnF+ 0.41901E-08 -8.3778 0.28715E-08 -8.5419 0.68531E+00 -0.1641
126 MnOH+ 0.58627E-10 -10.2319 0.40177E-10 -10.3960 0.68531E+00 -0.1641
131 MnCl+ 0.81153E-06 -6.0907 0.55615E-06 -6.2548 0.68531E+00 -0.1641
132 MnSO4,aq 0.16782E-08 -8.7752 0.16782E-08 -8.7752 0.10000E+01 0.0000
133 NaCl,aq 0.91542E-02 -2.0384 0.91542E-02 -2.0384 0.10000E+01 0.0000
134 NaF,aq 0.62184E-05 -5.2063 0.62184E-05 -5.2063 0.10000E+01 0.0000
135 NaOH,aq 0.12250E-08 -8.9119 0.12250E-08 -8.9119 0.10000E+01 0.0000
137 OH- 0.14484E-07 -7.8391 0.10015E-07 -7.9994 0.69144E+00 -0.1602
140 PbCl+ 0.70579E-09 -9.1513 0.48369E-09 -9.3154 0.68531E+00 -0.1641
141 PbCl2,aq 0.41081E-09 -9.3864 0.41081E-09 -9.3864 0.10000E+01 0.0000
142 PbCl3- 0.52303E-10 -10.2815 0.35918E-10 -10.4447 0.68673E+00 -0.1632
143 PbCl4-2 0.10722E-10 -10.9697 0.24496E-11 -11.6109 0.22846E+00 -0.6412
150 H2S,aq 0.11165E-05 -5.9522 0.10519E-05 -5.9780 0.94216E+00 -0.0259
159 HSO4- 0.42484E-07 -7.3718 0.29253E-07 -7.5338 0.68857E+00 -0.1621
173 ZnCl+ 0.76769E-07 -7.1148 0.52610E-07 -7.2789 0.68531E+00 -0.1641
174 ZnCl2,aq 0.71935E-08 -8.1431 0.71935E-08 -8.1431 0.10000E+01 0.0000
175 ZnCl3- 0.49657E-09 -9.3040 0.34101E-09 -9.4672 0.68673E+00 -0.1632
176 ZnF+ 0.11469E-09 -9.9405 0.78600E-10 -10.1046 0.68531E+00 -0.1641
178 ZnOH+ 0.78849E-09 -9.1032 0.54036E-09 -9.2673 0.68531E+00 -0.1641
Charge balance for all species = -.2699E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2229267E-04 0.6735140E-01 0.6639515E+02 0.0000
2 H2O 0.1000000E+01 0.5544095E+02 0.9768484E+06 0.0000
3 Cl- 0.3126076E+00 0.3217973E+00 0.1115811E+05 4.1309
4 SO4-- 0.3829682E-04 0.3927931E-04 0.3690360E+01 4.5422
5 HCO3- 0.5565592E-02 0.7286521E-01 0.4348381E+04 2.3816
6 HS- 0.2953551E-07 0.1146831E-05 0.3709495E-01 -2.8938
7 H4SiO4 0.5356869E-03 0.5358552E-03 0.5037273E+02 -3.2711
8 Al+++ 0.1530350E-09 0.5275921E-09 0.1392257E-04 3.1395
9 Ca++ 0.4088529E-03 0.4383689E-03 0.1718307E+02 5.5580
10 Mg++ 0.3319912E-04 0.3576802E-04 0.8504929E+00 4.4648
11 Fe++ 0.3078755E-06 0.3267732E-06 0.1784848E-01 2.4325
12 K+ 0.9455705E-02 0.9465288E-02 0.3619828E+03 2.6105
13 Na+ 0.3081386E+00 0.3172992E+00 0.7134430E+04 4.1226
14 Mn++ 0.6361689E-05 0.7179142E-05 0.3857451E+00 3.7481
15 Zn++ 0.9095694E-07 0.1763188E-06 0.1127281E-01 1.9029
16 Cu+ 0.3249056E-14 0.2323273E-10 0.1443785E-05 -9.8544
17 Pb++ 0.2922320E-09 0.1474848E-08 0.2988622E-03 -0.5850
18 Ag+ 0.7019829E-14 0.8077732E-09 0.8522072E-04 -9.5192
19 Au+ 0.2737615E-26 0.9662820E-13 0.1861454E-07 -21.9276
20 Ba++ 0.7937793E-06 0.8463266E-06 0.1136816E+00 2.8512
21 F- 0.3239856E-03 0.3389961E-03 0.6298797E+01 1.1505
22 H2AsO3- 0.2852966E-08 0.2699483E-04 0.3298543E+01 -3.8873
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234485E+00 -.1329826E-04 0.0000000E+00
2 H2O 0.2662492E+03 0.2662497E+03 -.4743106E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250601E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5507541E-05 0.8522770E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2573392E-02 0.2383492E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2533709E-08 0.2404745E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569296E-05 0.3400911E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.8467537E-06 0.6621423E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1115729E-09 0.1700456E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.7082811E-08 0.1557938E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.3879251E-08 0.4232489E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.4640474E-12 0.2646913E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404745E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.491025E+04 g
Temperature = 62.86 C Pressure = 500.00 bar Mixer frac. = 3.8000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2371E-03 -3.625 0.1425E-01 -1.846 91.59 0.5381E-02
argentite 0.2116E-06 -6.674 0.5244E-04 -4.280 0.3371 0.7364E-05
bornite 0.3401E-07 -7.468 0.1707E-04 -4.768 0.1097 0.3357E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.422 0.6195E-04
galena 0.1558E-05 -5.807 0.3727E-03 -3.429 2.396 0.4906E-04
gold,native 0.2647E-11 -11.577 0.5214E-09 -9.283 0.3351E-05 0.2704E-10
silver,native 0.1652E-11 -11.782 0.1782E-09 -9.749 0.1146E-05 0.1697E-10
sphalerite 0.6621E-05 -5.179 0.6451E-03 -3.190 4.147 0.1578E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6157E+00 0.2900E+00 0.4710 -0.538
silver,native 0.3843E+00 0.3535E-01 0.0920 -1.452
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.8000000
Solid products produced: Mass = 0.015556 g Volume = 0.005660 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 62.8552 deg.C
Sat. pressure: 8.9409 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3583E-01 0.9462 0.3031E+00 0.3203E+00
CO2,gas 0.9642E+00 0.9633 0.8304E+01 0.8620E+01
CH4,gas 0.3067E-08 1.0063 0.2760E-07 0.2742E-07
H2,gas 0.3297E-07 1.0053 0.2964E-06 0.2948E-06
H2S,gas 0.4001E-05 0.9556 0.3418E-04 0.3577E-04
S2,gas 0.1302E-18 1.0000 0.1164E-17 0.1164E-17
CO,gas 0.5700E-10 1.0000 0.5096E-09 0.5096E-09
SO3,gas 0.1381E-34 1.0000 0.1235E-33 0.1235E-33
O2,gas 0.3593E-59 1.0000 0.3213E-58 0.3213E-58
SO2,gas 0.8677E-16 1.0000 0.7758E-15 0.7758E-15
HF,gas 0.5610E-09 1.0000 0.5016E-08 0.5016E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.26 -3.26 0.00 0.000 0.00000E+00
197 argentite -31.53 -31.53 0.00 0.000 0.00000E+00
206 bornite -97.08 -97.08 0.00 0.000 0.21849E-10
226 topaz -13.89 -13.89 0.00 0.000 -0.27312E-11
261 galena -13.08 -13.08 0.00 0.000 0.00000E+00
262 gold,native -21.12 -21.12 0.00 0.000 -0.10925E-10
263 silver,native -7.80 -7.80 0.00 0.000 0.27312E-11
273 sphalerite -10.59 -10.59 0.00 0.000 0.27312E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.21 0.00 -3.22 -3.217 0.49467E+04 -0.518
2 CO2,gas -5.43 -7.21 -1.78 -0.593 0.27363E+04 0.919
3 CH4,gas 5.20 -5.06 -10.26 -2.565 0.15772E+05 -7.559
4 H2,gas 9.76 0.54 -9.23 -5.273 0.14187E+05 -6.528
5 H2S,gas -5.33 -12.49 -7.17 -3.583 0.11017E+05 -4.466
6 S2,gas -5.42 -26.06 -20.63 -3.174 0.31723E+05 -17.934
7 CO,gas 5.32 -6.67 -11.99 -3.690 0.18437E+05 -9.293
8 SO3,gas 21.96 -14.65 -36.61 -9.152 0.56284E+05 -33.908
9 O2,gas 60.11 -1.08 -61.19 -40.795 0.94083E+05 -58.493
10 SO2,gas 3.70 -14.11 -17.81 -4.749 0.27382E+05 -15.110
11 HF,gas 2.55 -8.45 -11.00 -5.499 0.16910E+05 -8.300
12 HCl,gas 4.64 -5.47 -10.11 -5.054 0.15541E+05 -10.108
18 albite 1.23 -2.53 -3.76 -0.289 0.57850E+04
22 analcite 5.25 0.72 -4.52 -0.502 0.69512E+04
26 anhydrite -4.40 -9.10 -4.70 -2.349 0.72220E+04
34 aragonite 1.66 -1.66 -3.32 -1.106 0.51007E+04
36 calcite 1.52 -1.66 -3.18 -1.060 0.48899E+04
53 coesite -2.60 -3.26 -0.66 -0.219 0.10108E+04
60 cristobalite -2.71 -3.26 -0.55 -0.184 0.84867E+03
65 diaspore 4.66 3.13 -1.53 -0.255 0.23530E+04
66 diamond -3.74 -6.13 -2.39 -0.683 0.36778E+04
83 gibbsite 5.83 3.13 -2.71 -0.387 0.41644E+04
87 graphite -4.20 -6.13 -1.93 -0.553 0.29733E+04
90 halite 1.67 -1.34 -3.02 -1.509 0.46392E+04
99 kaolinite 1.43 -0.27 -1.69 -0.154 0.26054E+04
107 magnesite 1.64 -2.75 -4.40 -1.465 0.67588E+04
117 microcline -1.29 -4.04 -2.76 -0.212 0.42368E+04
143 pyrite -22.44 -23.09 -0.65 -0.152 0.99268E+03
145 pyrrhotiteFe0.875 -5.85 -10.43 -4.58 -1.685 0.70443E+04
147 pyrophyllite -3.64 -6.79 -3.15 -0.197 0.48389E+04
153 rhodochrosite -0.43 -3.47 -3.04 -1.013 0.46740E+04
155 sanidine 0.06 -4.04 -4.10 -0.315 0.63043E+04
157 siderite -2.01 -4.78 -2.77 -0.925 0.42659E+04
171 sulfur -9.57 -13.03 -3.45 -1.063 0.53114E+04
172 sylvite 1.26 -2.86 -4.12 -2.061 0.63365E+04
181 tridymite -2.80 -3.26 -0.46 -0.154 0.70872E+03
198 arsenic -8.15 -12.67 -4.51 -1.165 0.69414E+04
208 chalcedony -3.05 -3.26 -0.21 -0.069 0.31947E+03
209 chalcocite -30.93 -32.20 -1.27 -0.317 0.19511E+04
211 covellite -21.86 -22.61 -0.75 -0.286 0.11532E+04
212 dawsonite 3.13 0.04 -3.09 -0.386 0.47521E+04
230 gypsum -4.41 -9.11 -4.70 -1.174 0.72195E+04
246 acanthite -31.49 -31.53 -0.04 -0.011 0.68498E+02
252 barite -9.24 -11.80 -2.57 -1.284 0.39473E+04
253 boehmite 6.46 3.13 -3.33 -0.556 0.51245E+04
255 chalcopyrite -30.60 -32.67 -2.08 -0.387 0.31955E+04
260 fluorite -9.56 -11.34 -1.78 -0.594 0.27390E+04
270 silica-amorphous -2.16 -3.26 -1.10 -0.367 0.16917E+04
274 wurtzite -8.55 -10.59 -2.04 -0.680 0.31353E+04
Calculations done for 62.8552 Deg. C; 500.0000 bar
Mixer fraction: 3.8000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 62.855 .36238E+00 1.311
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2680E+03
New heat: 1.297 New temperature: 62.089
New mixer fraction: 3.9000000
Resulting temperature: 62.089Deg. C
Solids and gases carried
Charge balance check after fractionation or titration: TBAL = -.1296E-03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C.
Illustrates fluid-fluid mixing. CHIMRUN demo-3
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Number of loops used = 7 Loop limit = 70
Temperature = 62.09 C Pressure = 500.00 bar Mixer fraction = 3.9000000
Water: Moles liquid = 0.2721E+03 kg liquid = 0.4902E+01
Moles total = 0.2718E+03 kg total = 0.4897E+01 Activity = 0.9895
Stoichiometric ionic strength = .3549797E+00 Osmotic coef. = 0.9249
True ionic strength = .3127424E+00
Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03
Log Log Log
Species(n) Molality Molality Activity Activity Gamma Gamma
1 H+ 0.22235E-04 -4.6530 0.15872E-04 -4.7994 0.71382E+00 -0.1464
2 H2O 0.98955E+00 -0.0046 0.98955E+00 -0.0046
3 Cl- 0.30643E+00 -0.5137 0.21087E+00 -0.6760 0.68814E+00 -0.1623
4 SO4-- 0.37531E-04 -4.4256 0.87046E-05 -5.0603 0.23193E+00 -0.6346
5 HCO3- 0.54525E-02 -2.2634 0.37533E-02 -2.4256 0.68836E+00 -0.1622
6 HS- 0.28580E-07 -7.5439 0.19665E-07 -7.7063 0.68807E+00 -0.1624
7 H4SiO4 0.52639E-03 -3.2787 0.52639E-03 -3.2787 0.10000E+01 0.0000
8 Al+++ 0.16117E-09 -9.7927 0.59567E-11 -11.2250 0.36958E-01 -1.4323
9 Ca++ 0.40107E-03 -3.3968 0.90383E-04 -4.0439 0.22535E+00 -0.6471
10 Mg++ 0.32562E-04 -4.4873 0.72917E-05 -5.1372 0.22394E+00 -0.6499
11 Fe++ 0.30190E-06 -6.5201 0.67675E-07 -7.1696 0.22416E+00 -0.6494
12 K+ 0.92631E-02 -2.0332 0.63585E-02 -2.1966 0.68643E+00 -0.1634
13 Na+ 0.30205E+00 -0.5199 0.20689E+00 -0.6843 0.68496E+00 -0.1643
14 Mn++ 0.62536E-05 -5.2039 0.14032E-05 -5.8529 0.22439E+00 -0.6490
15 Zn++ 0.90557E-07 -7.0431 0.20299E-07 -7.6925 0.22416E+00 -0.6494
16 Cu+ 0.30212E-14 -14.5198 0.20694E-14 -14.6842 0.68495E+00 -0.1643
17 Pb++ 0.28008E-09 -9.5527 0.63525E-10 -10.1971 0.22681E+00 -0.6443
18 Ag+ 0.64980E-14 -14.1872 0.44575E-14 -14.3509 0.68598E+00 -0.1637
19 Au+ 0.23863E-26 -26.6223 0.16387E-26 -26.7855 0.68672E+00 -0.1632
20 Ba++ 0.77895E-06 -6.1085 0.17756E-06 -6.7506 0.22795E+00 -0.6422
21 F- 0.31764E-03 -3.4981 0.22063E-03 -3.6563 0.69460E+00 -0.1583
22 H2AsO3- 0.27182E-08 -8.5657 0.19643E-08 -8.7068 0.72264E+00 -0.1411
24 HSiO3- 0.35906E-07 -7.4448 0.24708E-07 -7.6072 0.68814E+00 -0.1623
25 Ca(HSiO3)+ 0.39803E-10 -10.4001 0.27334E-10 -10.5633 0.68672E+00 -0.1632
27 NaHSiO3,aq 0.12622E-06 -6.8989 0.12622E-06 -6.8989 0.10000E+01 0.0000
32 AgCl2- 0.14301E-10 -10.8446 0.98411E-11 -11.0070 0.68814E+00 -0.1623
38 Ag(HS),aq 0.76758E-09 -9.1149 0.76758E-09 -9.1149 0.10000E+01 0.0000
40 AlO+ 0.82539E-10 -10.0833 0.56682E-10 -10.2466 0.68672E+00 -0.1632
41 AlOH+2 0.10371E-09 -9.9842 0.23302E-10 -10.6326 0.22470E+00 -0.6484
42 HAlO2,aq 0.17008E-09 -9.7694 0.17008E-09 -9.7694 0.10000E+01 0.0000
43 AlO2- 0.12414E-10 -10.9061 0.86005E-11 -11.0655 0.69282E+00 -0.1594
44 AsO2- 0.31031E-08 -8.5082 0.21354E-08 -8.6705 0.68814E+00 -0.1623
45 HAsO2,aq 0.12468E-04 -4.9042 0.12468E-04 -4.9042 0.10000E+01 0.0000
46 H3AsO3,aq 0.13970E-04 -4.8548 0.13970E-04 -4.8548 0.10000E+01 0.0000
63 Ba(HCO3)+ 0.17314E-07 -7.7616 0.11918E-07 -7.9238 0.68835E+00 -0.1622
64 BaCl+ 0.32738E-07 -7.4849 0.22482E-07 -7.6482 0.68672E+00 -0.1632
65 BaF+ 0.58743E-10 -10.2310 0.40340E-10 -10.3943 0.68672E+00 -0.1632
66 CH4,aq 0.10582E-10 -10.9754 0.99789E-11 -11.0009 0.94297E+00 -0.0255
72 CO2,aq 0.65919E-01 -1.1810 0.62160E-01 -1.2065 0.94297E+00 -0.0255
73 CO3-2 0.13628E-06 -6.8656 0.31461E-07 -7.5022 0.23085E+00 -0.6367
74 CaCO3,aq 0.12207E-07 -7.9134 0.12207E-07 -7.9134 0.10000E+01 0.0000
75 Ca(HCO3)+ 0.65859E-05 -5.1814 0.45227E-05 -5.3446 0.68672E+00 -0.1632
76 CaCl+ 0.20714E-04 -4.6837 0.14225E-04 -4.8469 0.68672E+00 -0.1632
77 CaCl2,aq 0.71589E-06 -6.1452 0.71589E-06 -6.1452 0.10000E+01 0.0000
78 CaF+ 0.19583E-06 -6.7081 0.13448E-06 -6.8713 0.68672E+00 -0.1632
79 CaOH+ 0.33973E-10 -10.4689 0.23330E-10 -10.6321 0.68672E+00 -0.1632
80 CaSO4,aq 0.13059E-06 -6.8841 0.13059E-06 -6.8841 0.10000E+01 0.0000
81 HCl,aq 0.71990E-06 -6.1427 0.71990E-06 -6.1427 0.10000E+01 0.0000
91 CuCl2- 0.16820E-10 -10.7742 0.11575E-10 -10.9365 0.68814E+00 -0.1623
98 HF,aq 0.82256E-05 -5.0848 0.82256E-05 -5.0848 0.10000E+01 0.0000
99 HF2- 0.68026E-09 -9.1673 0.46811E-09 -9.3296 0.68814E+00 -0.1623
101 FeCl+ 0.17521E-07 -7.7565 0.12032E-07 -7.9197 0.68672E+00 -0.1632
104 FeF+ 0.64828E-09 -9.1882 0.44519E-09 -9.3515 0.68672E+00 -0.1632
107 FeOH+ 0.36958E-10 -10.4323 0.25380E-10 -10.5955 0.68672E+00 -0.1632
113 H2,aq 0.13363E-09 -9.8741 0.12601E-09 -9.8996 0.94297E+00 -0.0255
114 KCl,aq 0.83079E-05 -5.0805 0.83079E-05 -5.0805 0.10000E+01 0.0000
116 KOH,aq 0.27538E-10 -10.5601 0.27538E-10 -10.5601 0.10000E+01 0.0000
117 KSO4- 0.77404E-06 -6.1112 0.53265E-06 -6.2736 0.68814E+00 -0.1623
118 MgCO3,aq 0.31459E-09 -9.5023 0.31459E-09 -9.5023 0.10000E+01 0.0000
119 Mg(HCO3)+ 0.53366E-06 -6.2727 0.36648E-06 -6.4360 0.68672E+00 -0.1632
120 MgCl+ 0.18782E-05 -5.7263 0.12898E-05 -5.8895 0.68672E+00 -0.1632
121 MgF+ 0.64613E-07 -7.1897 0.44372E-07 -7.3529 0.68672E+00 -0.1632
122 MgOH+ 0.21912E-10 -10.6593 0.15047E-10 -10.8225 0.68672E+00 -0.1632
124 MnF+ 0.40476E-08 -8.3928 0.27796E-08 -8.5560 0.68672E+00 -0.1632
126 MnOH+ 0.55459E-10 -10.2560 0.38085E-10 -10.4192 0.68672E+00 -0.1632
131 MnCl+ 0.77341E-06 -6.1116 0.53112E-06 -6.2748 0.68672E+00 -0.1632
132 MnSO4,aq 0.16304E-08 -8.7877 0.16304E-08 -8.7877 0.10000E+01 0.0000
133 NaCl,aq 0.87688E-02 -2.0571 0.87688E-02 -2.0571 0.10000E+01 0.0000
134 NaF,aq 0.59479E-05 -5.2256 0.59479E-05 -5.2256 0.10000E+01 0.0000
135 NaOH,aq 0.11548E-08 -8.9375 0.11548E-08 -8.9375 0.10000E+01 0.0000
137 OH- 0.13906E-07 -7.8568 0.96346E-08 -8.0162 0.69282E+00 -0.1594
140 PbCl+ 0.66436E-09 -9.1776 0.45623E-09 -9.3408 0.68672E+00 -0.1632
141 PbCl2,aq 0.37842E-09 -9.4220 0.37842E-09 -9.4220 0.10000E+01 0.0000
142 PbCl3- 0.47137E-10 -10.3266 0.32437E-10 -10.4890 0.68814E+00 -0.1623
150 H2S,aq 0.10925E-05 -5.9616 0.10302E-05 -5.9871 0.94297E+00 -0.0255
159 HSO4- 0.40927E-07 -7.3880 0.28238E-07 -7.5492 0.68995E+00 -0.1612
173 ZnCl+ 0.72666E-07 -7.1387 0.49902E-07 -7.3019 0.68672E+00 -0.1632
174 ZnCl2,aq 0.67372E-08 -8.1715 0.67372E-08 -8.1715 0.10000E+01 0.0000
175 ZnCl3- 0.46064E-09 -9.3366 0.31699E-09 -9.4990 0.68814E+00 -0.1623
176 ZnF+ 0.11222E-09 -9.9499 0.77065E-10 -10.1131 0.68672E+00 -0.1632
178 ZnOH+ 0.74565E-09 -9.1275 0.51205E-09 -9.2907 0.68672E+00 -0.1632
Charge balance for all species = -.2644E-04
Component Molality Aq.molality ppm log[A(N)/A(H+)**Z]
(total)
1 H+ 0.2223477E-04 0.6597756E-01 0.6506996E+02 0.0000
2 H2O 0.1000000E+01 0.5544232E+02 0.9773104E+06 0.0000
3 Cl- 0.3064306E+00 0.3152333E+00 0.1093540E+05 4.1234
4 SO4-- 0.3753095E-04 0.3847809E-04 0.3616703E+01 4.5385
5 HCO3- 0.5452479E-02 0.7137890E-01 0.4261591E+04 2.3738
6 HS- 0.2857969E-07 0.1121927E-05 0.3630568E-01 -2.9069
7 H4SiO4 0.5263949E-03 0.5265571E-03 0.4952085E+02 -3.2787
8 Al+++ 0.1611735E-09 0.5299070E-09 0.1398992E-04 3.1731
9 Ca++ 0.4010721E-03 0.4294270E-03 0.1684011E+02 5.5548
10 Mg++ 0.3256159E-04 0.3503842E-04 0.8335178E+00 4.4616
11 Fe++ 0.3019015E-06 0.3201073E-06 0.1749222E-01 2.4292
12 K+ 0.9263133E-02 0.9272214E-02 0.3547579E+03 2.6027
13 Na+ 0.3020521E+00 0.3108269E+00 0.6992033E+04 4.1151
14 Mn++ 0.6253557E-05 0.7032701E-05 0.3780460E+00 3.7459
15 Zn++ 0.9055655E-07 0.1712784E-06 0.1095546E-01 1.9062
16 Cu+ 0.3021248E-14 0.2106197E-10 0.1309471E-05 -9.8848
17 Pb++ 0.2800844E-09 0.1382284E-08 0.2802307E-03 -0.5983
18 Ag+ 0.6498023E-14 0.7850671E-09 0.8286232E-04 -9.5515
19 Au+ 0.2386286E-26 0.9152491E-13 0.1763934E-07 -21.9861
20 Ba++ 0.7789473E-06 0.8290631E-06 0.1114126E+00 2.8481
21 F- 0.3176411E-03 0.3320812E-03 0.6173079E+01 1.1431
22 H2AsO3- 0.2718211E-08 0.2644418E-04 0.3232707E+01 -3.9074
Component Tot moles Aq. moles Solid moles Gas moles
1 H+ 0.3234352E+00 0.3234485E+00 -.1330553E-04 0.0000000E+00
2 H2O 0.2718000E+03 0.2718005E+03 -.4583061E-03 0.0000000E+00
3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00
4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250807E-08 0.0000000E+00
5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00
6 HS- 0.1403031E-04 0.5500135E-05 0.8530176E-05 0.0000000E+00
7 H4SiO4 0.2811741E-02 0.2581394E-02 0.2303469E-03 0.0000000E+00
8 Al+++ 0.2407279E-05 0.2597817E-08 0.2404681E-05 0.0000000E+00
9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00
10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00
11 Fe++ 0.1603305E-05 0.1569294E-05 0.3401077E-07 0.0000000E+00
12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00
13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00
14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00
15 Zn++ 0.7468176E-05 0.8396756E-06 0.6628501E-05 0.0000000E+00
16 Cu+ 0.1701571E-06 0.1032542E-09 0.1700539E-06 0.0000000E+00
17 Pb++ 0.1565021E-05 0.6776510E-08 0.1558244E-05 0.0000000E+00
18 Ag+ 0.4271281E-06 0.3848714E-08 0.4232794E-06 0.0000000E+00
19 Au+ 0.3110961E-11 0.4486918E-12 0.2662269E-11 0.0000000E+00
20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00
21 F- 0.1630400E-02 0.1627995E-02 0.2404681E-05 0.0000000E+00
22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00
Chg. balance for solid moles: -.3812E-20 Mass of aqueous solution: 0.501025E+04 g
Temperature = 62.09 C Pressure = 500.00 bar Mixer frac. = 3.9000000
Log Log Vol
Gas or mineral Moles Moles Grams Grams Wt.% (cm3)
quartz 0.2291E-03 -3.640 0.1377E-01 -1.861 91.31 0.5199E-02
argentite 0.2116E-06 -6.674 0.5244E-04 -4.280 0.3479 0.7365E-05
bornite 0.3401E-07 -7.468 0.1707E-04 -4.768 0.1132 0.3358E-05
topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.468 0.6195E-04
galena 0.1558E-05 -5.807 0.3728E-03 -3.429 2.473 0.4907E-04
gold,native 0.2662E-11 -11.575 0.5244E-09 -9.280 0.3478E-05 0.2720E-10
silver,native 0.1656E-11 -11.781 0.1786E-09 -9.748 0.1185E-05 0.1701E-10
sphalerite 0.6629E-05 -5.179 0.6458E-03 -3.190 4.284 0.1579E-03
Partial press. Fugacity coef Log fugacity
Gas or Mineral Mole fraction or activity Activity coef Log activity
quartz 0.1000E+01 0.1000E+01 1.0000 0.000
argentite 0.1000E+01 0.1000E+01 1.0000 0.000
bornite 0.1000E+01 0.1000E+01 1.0000 0.000
topaz 0.1000E+01 0.1000E+01 1.0000 0.000
galena 0.1000E+01 0.1000E+01 1.0000 0.000
gold,native 0.6165E+00 0.2909E+00 0.4718 -0.536
silver,native 0.3835E+00 0.3486E-01 0.0909 -1.458
sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000
Total fraction of mixing solution added: 3.9000000
Solid products produced: Mass = 0.015076 g Volume = 0.005479 cm3
WARNING: mineral volume may be in error because some mineral densities
were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt.
Gas composition at saturation ( 3 iterations)
-------------------------------------------------
Temperature: 62.0887 deg.C
Sat. pressure: 8.6513 bar
Gas Mole fraction phi Fugacity Partial P(bar)
H2O,gas 0.3573E-01 0.9478 0.2930E+00 0.3091E+00
CO2,gas 0.9643E+00 0.9641 0.8043E+01 0.8342E+01
CH4,gas 0.3048E-08 1.0061 0.2653E-07 0.2637E-07
H2,gas 0.3232E-07 1.0051 0.2810E-06 0.2796E-06
H2S,gas 0.4004E-05 0.9567 0.3314E-04 0.3464E-04
S2,gas 0.1223E-18 1.0000 0.1058E-17 0.1058E-17
CO,gas 0.5413E-10 1.0000 0.4683E-09 0.4683E-09
SO3,gas 0.1159E-34 1.0000 0.1002E-33 0.1002E-33
O2,gas 0.2594E-59 1.0000 0.2244E-58 0.2244E-58
SO2,gas 0.8031E-16 1.0000 0.6948E-15 0.6948E-15
HF,gas 0.5391E-09 1.0000 0.4664E-08 0.4664E-08
NON-Ideal mixing with H2O, CO2, CH4 Gases
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The following gases and minerals are presently in matrix or were just added
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
148 quartz -3.27 -3.27 0.00 0.000 0.00000E+00
197 argentite -31.61 -31.61 0.00 0.000 0.10900E-10
206 bornite -97.28 -97.28 0.00 0.000 -0.21799E-10
226 topaz -13.84 -13.84 0.00 0.000 0.00000E+00
261 galena -13.10 -13.10 0.00 0.000 -0.54499E-11
262 gold,native -21.18 -21.18 0.00 0.000 -0.16350E-10
263 silver,native -7.83 -7.83 0.00 0.000 0.81748E-11
273 sphalerite -10.60 -10.60 0.00 0.000 -0.27249E-11
The following gases and minerals are presently EXCLUDED from matrix
(Gases and minerals with log(Q/K) less than -5 are not listed below)
Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity
1 H2O,gas 3.23 0.00 -3.23 -3.232 0.49581E+04 -0.533
2 CO2,gas -5.43 -7.22 -1.79 -0.598 0.27513E+04 0.905
3 CH4,gas 5.20 -5.08 -10.28 -2.569 0.15762E+05 -7.576
4 H2,gas 9.78 0.53 -9.25 -5.286 0.14190E+05 -6.551
5 H2S,gas -5.33 -12.51 -7.18 -3.589 0.11012E+05 -4.480
6 S2,gas -5.40 -26.08 -20.67 -3.181 0.31714E+05 -17.975
7 CO,gas 5.35 -6.68 -12.03 -3.701 0.18452E+05 -9.329
8 SO3,gas 22.04 -14.65 -36.70 -9.174 0.56295E+05 -33.999
9 O2,gas 60.27 -1.08 -61.35 -40.899 0.94108E+05 -58.649
10 SO2,gas 3.74 -14.12 -17.86 -4.762 0.27393E+05 -15.158
11 HF,gas 2.57 -8.46 -11.03 -5.515 0.16920E+05 -8.331
12 HCl,gas 4.67 -5.48 -10.14 -5.072 0.15561E+05 -10.144
18 albite 1.26 -2.53 -3.79 -0.291 0.58080E+04
22 analcite 5.28 0.74 -4.55 -0.505 0.69728E+04
26 anhydrite -4.39 -9.10 -4.72 -2.359 0.72362E+04
34 aragonite 1.67 -1.67 -3.34 -1.113 0.51241E+04
36 calcite 1.53 -1.67 -3.20 -1.068 0.49137E+04
53 coesite -2.61 -3.27 -0.66 -0.220 0.10104E+04
60 cristobalite -2.72 -3.27 -0.55 -0.185 0.85012E+03
65 diaspore 4.70 3.16 -1.53 -0.256 0.23522E+04
66 diamond -3.75 -6.14 -2.39 -0.683 0.36675E+04
83 gibbsite 5.87 3.16 -2.71 -0.387 0.41598E+04
87 graphite -4.21 -6.14 -1.93 -0.552 0.29636E+04
90 halite 1.67 -1.36 -3.03 -1.517 0.46528E+04
99 kaolinite 1.48 -0.22 -1.69 -0.154 0.25994E+04
107 magnesite 1.66 -2.76 -4.43 -1.475 0.67882E+04
117 microcline -1.27 -4.04 -2.77 -0.213 0.42490E+04
143 pyrite -22.48 -23.12 -0.64 -0.151 0.98208E+03
145 pyrrhotiteFe0.875 -5.85 -10.45 -4.60 -1.691 0.70529E+04
147 pyrophyllite -3.60 -6.75 -3.15 -0.197 0.48384E+04
153 rhodochrosite -0.42 -3.48 -3.06 -1.020 0.46926E+04
155 sanidine 0.08 -4.04 -4.12 -0.317 0.63165E+04
157 siderite -2.00 -4.80 -2.80 -0.932 0.42880E+04
171 sulfur -9.59 -13.04 -3.45 -1.062 0.52965E+04
172 sylvite 1.26 -2.87 -4.13 -2.067 0.63402E+04
181 tridymite -2.81 -3.27 -0.46 -0.154 0.70932E+03
198 arsenic -8.17 -12.69 -4.52 -1.166 0.69307E+04
208 chalcedony -3.06 -3.27 -0.21 -0.069 0.31945E+03
209 chalcocite -31.01 -32.28 -1.27 -0.317 0.19471E+04
211 covellite -21.91 -22.66 -0.74 -0.284 0.11425E+04
212 dawsonite 3.15 0.05 -3.10 -0.388 0.47557E+04
230 gypsum -4.40 -9.11 -4.71 -1.177 0.72225E+04
246 acanthite -31.57 -31.61 -0.04 -0.011 0.66930E+02
252 barite -9.24 -11.81 -2.57 -1.286 0.39450E+04
253 boehmite 6.51 3.16 -3.34 -0.557 0.51265E+04
255 chalcopyrite -30.65 -32.73 -2.08 -0.388 0.31970E+04
260 fluorite -9.56 -11.36 -1.80 -0.600 0.27619E+04
270 silica-amorphous -2.17 -3.27 -1.10 -0.368 0.16939E+04
274 wurtzite -8.56 -10.60 -2.04 -0.681 0.31353E+04
Calculations done for 62.0887 Deg. C; 500.0000 bar
Mixer fraction: 3.9000000
Temperature Stoc.ionic strength Heat per mole
Actual solution: 62.089 .35498E+00 1.297
Mixing solution: 25.000 .50000E-10 0.646
Fract. of mixing solution added: 0.100000
BITMOL = 0.5551E+01 OLDMOL = 0.2735E+03
New heat: 1.284 New temperature: 61.353
New mixer fraction: 4.0000000
Resulting temperature: 61.353Deg. C
Mixing fraction reached given limit of 0.4000E+01
TOTMIX = 0.4000E+01 Execution stopped.