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iphreeqc/OtherDatabases/CEMDATA18.dat
Darth Vader 39086e3af2 Squashed 'database/' changes from 488636ae..20e6e440 
20e6e440 still produces different residuals
6ea9caf0 Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases
c1c97a85 before H2S
a7be9fcf Updated Amm.dat, phreeqc.dat, pitzer.dat for H2S(g)
b40b25fd Another SIT database
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2560903d [phreeqci] Testing subtree merges
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cfc208b0 updated installer
164b85d3 Fixed some bugs with iso.dat inverse modeling, added test case. Still does not generate [13C](4) and [13C](-4) from SOLUTION
06e25ec8 Correction to core10.dat from Neveu

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# Cemdata18: A chemical thermodynamic database for hydrated Portland cements and alkali-activated materials
# Authors: Barbara Lothenbach, Dmitrii Kulik, Thomas Matschei, Magdalena Balonis, Luis Baquerizo, Belay Dilnesa, George Dan Miron, Rupert J. Myers
# Published in Cement and Concrete Research, 2018, in press
#
# Based on CEMDATA18 version 01 (09.10.2017) and PSI/Nagra 12/07 GEM format
#
# Exported to PHREEQC format using ThermoMatch (https://bitbucket.org/gems4/thermomatch) reactions generator and export modules
#
# Temperature dependence described by three-term analytical model
# Valid range : 0 - 100°C
#
#
# Phreeqc version date: 08.05.2018
#
# for questions contact: Barbara Lothenbach (barbara.lothenbach@empa.ch); G. Dan Miron (dan.miron@psi.ch)
SOLUTION_MASTER_SPECIES
#
# elemen species alk gfw_formula element_gfw atomic number
#
Al AlO2- 0.0 AlO2 26.981541 # 13
C CO3-2 0.0 CO3 12.0108 # 6
# C(0) SCN- 0.0 SCN #
# C(-1) HCN 0.0 HCN #
C(+4) CO3-2 2.0 CO3 #
C(-4) CH4 0.0 CH4 #
Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05 #
Ca Ca+2 0.0 Ca 40.077999 # 20
Cl Cl- 0.0 Cl 35.452999 # 17
Cl(-1) Cl- 0.0 Cl #
Cl(7) ClO4- 0.0 ClO4 #
Fe FeO2- 0.0 FeO2 55.845001 # 26
# Fe(2) FeS 0.0 FeS #
Fe(3) FeO2- 0.0 FeO2 #
H H+ 0.0 H 1.00795 # 1
H(0) H2 0.0 H2 #
H(1) H+ -1.0 H #
K K+ 0.0 K 39.098301 # 19
Mg Mg+2 0.0 Mg 24.305 # 12
N NO3- 0.0 NO3 14.0067 # 7
N(-3) NH4+ 0.0 NH4 #
N(0) N2 0.0 N2 #
# N(-1) HCN 0.0 HCN #
N(+5) NO3- 0.0 NO3 #
Na Na+ 0.0 Na 22.989799 # 11
O H2O 0.0 O 15.9994 # 8
O(0) O2 0.0 O2 #
O(-2) H2O 0.0 H2O #
S SO4-2 0.0 S 32.067001 # 16
S(-2) HS- 1.0 HS #
# S(0) S 0.0 S #
S(2) S2O3-2 0.0 S2O3 #
S(4) SO3-2 0.0 SO3 #
S(6) SO4-2 0.0 SO4 #
Si SiO2 0.0 SiO2 28.085501 # 14
Sr Sr+2 0.0 Sr 87.620003 # 38
E e- 0 0.0 0 #
SOLUTION_SPECIES
# PMATCH MASTER SPECIES
AlO2- = AlO2-
-gamma 4 0.064
-log_k 0.0
Ca+2 = Ca+2
-gamma 4.86 0.15
-log_k 0.0
Cl- = Cl-
-gamma 3.71 0.01
-log_k 0.0
CO3-2 = CO3-2
-gamma 5.4 0.064
-log_k 0.0
e- = e-
-gamma 9 0.064
-log_k 0.0
FeO2- = FeO2-
-gamma 4 0.064
-log_k 0.0
H2O = H2O
-gamma 0.0 0
-log_k 0.0
H+ = H+
-gamma 9 0.064
-log_k 0.0
K+ = K+
-gamma 3.71 0.01
-log_k 0.0
Mg+2 = Mg+2
-gamma 5.46 0.22
-log_k 0.0
Na+ = Na+
-gamma 4.32 0.06
-log_k 0.0
NO3- = NO3-
-gamma 3 0
-log_k 0.0
SiO2 = SiO2
-gamma 0.0 0
-log_k 0.0
SO4-2 = SO4-2
-gamma 5.31 -0.07
-log_k 0.0
Sr+2 = Sr+2
-gamma 5.48 0.11
-log_k 0.0
# PMATCH SECONDARY MASTER SPECIES
H+ + FeO2- = FeO2H
-analytical_expression 29.546087 0 737.003635 -9.286176 0 0 0
-gamma 0.0 0
-log_K 9.039877
H2O + SiO2 = SiO3-2 + 2H+
-analytical_expression -10.000668 0 -3917.496558 0 0 0 0
-gamma 4 0.064
-log_K -23.139999
H2O + SiO2 = HSiO3- + H+
-analytical_expression 67.706653 0 -4741.842127 -24.899348 0 0 0
-gamma 4 0.064
-log_K -9.810017
Mg+2 + H2O = Mg(OH)+ + H+
-analytical_expression -27.037806 0 -2051.344448 9.084125 0 0 0
-gamma 4 0.064
-log_K -11.44
Mg+2 + H2O + SiO2 = Mg(HSiO3)+ + H+
-analytical_expression -24.956609 0 -403.475592 7.274665 0 0 0
-gamma 4 0.064
-log_K -8.31003
NO3- + 8e- + 9H+ = NH3 + 3H2O
-analytical_expression -107.400094 0 42212.00396 30.601079 0 0 0
-gamma 0.0 0
-log_K 109.900031
Na+ + H2O = NaOH + H+
-analytical_expression 40.022689 0 -4902.375428 -15.260091 0 0 0
-gamma 0.0 0
-log_K -14.179994
H2O + K+ = KOH + H+
-analytical_expression 55.772715 0 -5964.687625 -20.298401 0 0 0
-gamma 0.0 0
-log_K -14.45995
H2O = OH- + H+
-analytical_expression 69.848379 0 -6215.240028 -25.461346 0 0 0
-gamma 10.65 0.064
-log_K -14.000072
CO3-2 + NO3- + SO4-2 + 16e- + 20H+ = SCN- + 10H2O
-analytical_expression -403.337321 0 68953.389243 132.954532 0 0 0
-gamma 4 0.064
-log_K 156.933672
CO3-2 + NO3- + 10e- + 13H+ = HCN + 6H2O
-analytical_expression -242.754542 0 48438.203406 79.874649 0 0 0
-gamma 0.0 0
-log_K 117.350397
CO3-2 + Sr+2 = Sr(CO3)
-analytical_expression -62.653523 0 2074.553325 23.642085 0 0 0
-gamma 0.0 0
-log_K 2.805165
CO3-2 + Sr+2 + H+ = SrHCO3+
-analytical_expression -179.980045 0 9094.004136 65.062273 0 0 0
-gamma 4 0.064
-log_K 11.51358
e- + 4H+ + FeO2- = Fe+2 + 2H2O
-analytical_expression -122.476876 0 16777.048756 40.747293 0 0 0
-gamma 5.08 0.16
-log_K 34.619927
e- + 3H+ + FeO2- = FeOH+ + H2O
-analytical_expression -129.83045 0 14350.241615 43.169306 0 0 0
-gamma 4 0.064
-log_K 25.119997
NO3- + 8e- + 10H+ = NH4+ + 3H2O
-analytical_expression -103.801782 0 44761.476983 29.424107 0 0 0
-gamma 2.5 0.064
-log_K 119.136999
SO4-2 + 2e- + 2H+ = SO3-2 + H2O
-analytical_expression -16.749207 0 1175.143358 3.803176 0 0 0
-gamma 4.5 0
-log_K -3.396962
SO4-2 + Mg+2 = Mg(SO4)
-analytical_expression -65.503097 0 2716.841523 23.747178 0 0 0
-gamma 0.0 0
-log_K 2.36999
SO4-2 + K+ = KSO4-
-analytical_expression -72.976676 0 3150.048361 25.565951 0 0 0
-gamma 4 0.064
-log_K 0.850029
SO4-2 + H+ = HSO4-
-analytical_expression -95.450023 0 3428.229466 34.730939 0 0 0
-gamma 4 0.064
-log_K 1.987722
SO4-2 + Na+ = Na(SO4)-
-analytical_expression -67.94723 0 2908.645146 23.800045 0 0 0
-gamma 4 0.064
-log_K 0.700065
SO4-2 + Sr+2 = Sr(SO4)
-analytical_expression -65.057619 0 2594.980137 23.699973 0 0 0
-gamma 0.0 0
-log_K 2.289927
Sr+2 + H2O + SiO2 = SrSiO3 + 2H+
-analytical_expression -0.03398 0 -5596.700024 0.0146 0 0 0
-gamma 0.0 0
-log_K -18.770009
Sr+2 + H2O = Sr(OH)+ + H+
-analytical_expression 24.083524 0 -5334.855026 -7.872656 0 0 0
-gamma 4 0.064
-log_K -13.290021
SO4-2 + e- + 5H+ + FeO2- = FeHSO4+ + 2H2O
-analytical_expression -340.160684 0 26093.962654 117.331514 0 0 0
-gamma 4 0.064
-log_K 37.687879
SO4-2 + e- + 4H+ + FeO2- = Fe(SO4) + 2H2O
-analytical_expression -187.703581 0 19421.940132 64.431753 0 0 0
-gamma 0.0 0
-log_K 36.869911
SO4-2 + 4H+ + FeO2- = Fe(SO4)+ + 2H2O
-analytical_expression -179.460087 0 16269.573383 60.834841 0 0 0
-gamma 4 0.064
-log_K 25.639965
SO4-2 + 2e- + 3H+ = HSO3- + H2O
-analytical_expression -104.341666 0 4987.683177 36.952237 0 0 0
-gamma 4 0.064
-log_K 3.823027
SO4-2 + 5H+ + FeO2- = FeHSO4+2 + 2H2O
-analytical_expression -386.282594 0 27250.332754 129.707435 0 0 0
-gamma 4 0.064
-log_K 26.067958
SO4-2 + 8e- + 9H+ = HS- + 4H2O
-analytical_expression -135.448856 0 18639.971235 43.088749 0 0 0
-gamma 3.5 0.064
-log_K 33.690011
SO4-2 + AlO2- + 4H+ = Al(SO4)+ + 2H2O
-analytical_expression -92.70801 0 12391.461203 31.492469 0 0 0
-gamma 4 0.064
-log_K 26.779235
SO4-2 + 8e- + 10H+ = H2S + 4H2O
-analytical_expression -227.994702 0 24084.360505 75.934677 0 0 0
-gamma 0 0
-log_K 40.679974
CO3-2 + Na+ + H+ = NaHCO3
-analytical_expression -150.324123 0 7758.548881 54.307766 0 0 0
-gamma 0.0 0
-log_K 10.078938
CO3-2 + Na+ = NaCO3-
-analytical_expression -72.698173 0 4313.391269 24.046388 0 0 0
-gamma 4 0.064
-log_K 1.269963
4H+ + FeO2- = Fe+3 + 2H2O
-analytical_expression -117.578761 0 14084.096983 37.156205 0 0 0
-gamma 9 0
-log_K 21.599876
3H+ + FeO2- = Fe(OH)+2 + H2O
-analytical_expression -100.979091 0 11351.458414 33.266688 0 0 0
-gamma 4 0.064
-log_K 19.409983
3Cl- + 4H+ + FeO2- = FeCl3 + 2H2O
-analytical_expression -403.034321 0 27439.514698 134.865165 0 0 0
-gamma 0.0 0
-log_K 22.729861
AlO2- + 2H+ = AlO+ + H2O
-analytical_expression -0.423917 0 3851.729324 -0.084762 0 0 0
-gamma 4 0.064
-log_K 12.285123
AlO2- + 3H+ = Al(OH)+2 + H2O
-analytical_expression -67.530882 0 9473.0536 21.693818 0 0 0
-gamma 4 0.064
-log_K 17.921907
AlO2- + H2O + SiO2 = AlSiO5-3 + 2H+
-analytical_expression -10.000641 0 -3759.481479 0 0 0 0
-gamma 4 0.064
-log_K -22.609995
AlO2- + 3H+ + SiO2 = AlHSiO3+2 + H2O
-analytical_expression 49.32925 0 3459.291193 -16.35201 0 0 0
-gamma 4 0.064
-log_K 20.469103
AlO2- + 4H+ = Al+3 + 2H2O
-analytical_expression -32.960146 0 10342.694854 8.547302 0 0 0
-gamma 6.65 0.19
-log_K 22.879124
2SO4-2 + AlO2- + 4H+ = Al(SO4)2- + 2H2O
-analytical_expression -162.337197 0 15848.175089 55.754663 0 0 0
-gamma 4 0.064
-log_K 28.77922
2SO4-2 + 8e- + 10H+ = S2O3-2 + 5H2O
-analytical_expression -201.732708 0 22219.585517 66.771654 0 0 0
-gamma 4 0.064
-log_K 38.014086
2H2O = O2 + 4e- + 4H+
-analytical_expression -37.318475 0 -27028.699677 16.968388 0 0 0
-gamma 0.0 0
-log_K -85.986052
2e- + 2H+ = H2
-analytical_expression -52.093194 0 2359.24879 16.599428 0 0 0
-gamma 0.0 0
-log_K -3.105969
2H2O + 4SiO2 = Si4O10-4 + 4H+
-analytical_expression -0.000122 0 -10822.837161 0 0 0 0
-gamma 4 0.064
-log_K -36.299995
2H+ + FeO2- = FeO+ + H2O
-analytical_expression -39.343808 0 6777.47262 13.151347 0 0 0
-gamma 4 0.064
-log_K 15.929981
2FeO2- + 6H+ = Fe2(OH)2+4 + 2H2O
-analytical_expression -228.211639 0 25217.742482 74.31241 0 0 0
-gamma 4 0.064
-log_K 40.249753
FeO2- + 3H+ + SiO2 = FeHSiO3+2 + H2O
-analytical_expression -40.172013 0 9342.250604 12.256824 0 0 0
-gamma 4 0.064
-log_K 21.489856
3FeO2- + 8H+ = Fe3(OH)4+5 + 2H2O
-analytical_expression -348.553863 0 39126.962643 111.468617 0 0 0
-gamma 4 0.064
-log_K 58.499629
2SO4-2 + 4H+ + FeO2- = Fe(SO4)2- + 2H2O
-analytical_expression -249.059673 0 19527.889672 85.087253 0 0 0
-gamma 4 0.064
-log_K 26.980004
SO4-2 + 8e- + 8H+ = S-2 + 4H2O
-analytical_expression -154.448832 0 18639.971266 43.088749 0 0 0
-gamma 4 0.064
-log_K 14.690011
2NO3- + 10e- + 12H+ = N2 + 6H2O
-analytical_expression -258.961738 0 79047.238923 81.272772 0 0 0
-gamma 0.0 0
-log_K 207.26792
AlO2- + H+ = AlO2H
-analytical_expression 58.704239 0 -1368.552981 -19.263945 0 0 0
-gamma 0.0 0
-log_K 6.446694
Ca+2 + H2O = Ca(OH)+ + H+
-analytical_expression 14.192136 0 -4635.53095 -4.617086 0 0 0
-gamma 4 0.064.064
-log_K -12.780039
CO3-2 + e- + 4H+ + FeO2- = FeCO3 + 2H2O
-analytical_expression -186.917805 0 19661.212978 64.650733 0 0 0
-gamma 0.0 0
-log_K 38.999888
CO3-2 + Ca+2 + H+ = Ca(HCO3)+
-analytical_expression -184.735846 0 9335.338708 66.625146 0 0 0
-gamma 4 0.064
-log_K 11.434569
CO3-2 + Ca+2 = CaCO3
-analytical_expression -62.597364 0 2198.635138 23.620516 0 0 0
-gamma 0.0 0
-log_K 3.224223
CO3-2 + e- + 5H+ + FeO2- = FeHCO3+ + 2H2O
-analytical_expression -308.32264 0 26778.821505 107.279171 0 0 0
-gamma 4 0.064
-log_K 46.948848
CO3-2 + H+ = HCO3-
-analytical_expression -81.274179 0 4730.952703 30.607236 0 0 0
-gamma 5.4 0
-log_K 10.328936
CO3-2 + Mg+2 + H+ = Mg(HCO3)+
-analytical_expression -188.634028 0 9470.015117 68.00288 0 0 0
-gamma 4 0.064
-log_K 11.397078
CO3-2 + Mg+2 = Mg(CO3)
-analytical_expression -63.463292 0 2552.360636 23.392206 0 0 0
-gamma 0 0
-log_K 2.979656
CO3-2 + 8e- + 10H+ = CH4 + 3H2O
-analytical_expression -246.104883 0 24658.587079 81.464185 0 0 0
-gamma 0 0
-log_K 38.17789
CO3-2 + 2H+ = CO2 + H2O
-analytical_expression -200.217775 0 10740.0203 73.098171 0 0 0
-gamma 0.0 0
-log_K 16.681026
Ca+2 + H2O + SiO2 = CaSiO3 + 2H+
-analytical_expression -10.000639 0 -2546.007503 0 0 0 0
-gamma 0 0
-log_K -18.54
Ca+2 + H2O + SiO2 = Ca(HSiO3)+ + H+
-analytical_expression -20.400451 0 -822.7361 5.880359 0 0 0
-gamma 4 0.064
-log_K -8.609958
Ca+2 + SO4-2 = CaSO4
-analytical_expression -64.25357 0 2770.028075 23.141785 0 0 0
-gamma 0.0 0
-log_K 2.300088
Mg+2 + H2O + SiO2 = MgSiO3 + 2H+
-analytical_expression 124.447476 0 -10098.720791 -43.652583 0 0 0
-gamma 0 0
-log_K -17.440008
Cl- + 4H2O = ClO4- + 8e- + 8H+
-analytical_expression 49.886974 0 -63068.038263 -10.53711 0 0 0
-gamma 3 0
-log_K -187.715268
Cl- + e- + 4H+ + FeO2- = FeCl+ + 2H2O
-analytical_expression -206.567427 0 20469.070501 69.783235 0 0 0
-gamma 4 0.064
-log_K 34.759905
Cl- + 4H+ + FeO2- = FeCl+2 + 2H2O
-analytical_expression -190.269722 0 17206.948818 62.898167 0 0 0
-gamma 4 0.064
-log_K 23.079893
2Cl- + 4H+ + FeO2- = FeCl2+ + 2H2O
-analytical_expression -333.532333 0 23878.594387 112.01482 0 0 0
-gamma 4 0.064
-log_K 23.729853
PHASES
CH4(g)
CH4 + 3H2O = CO3-2 + 8e- + 10H+
-Vm 24789.71191
-analytical_expression 156.470612 0 -20218.503151 -52.416322 0 0 0
-log_K -41.034386
CO2(g)
CO2 + H2O = CO3-2 + 2H+
-Vm 24789.71191
-analytical_expression 123.151237 0 -6471.092769 -48.330215 0 0 0
-log_K -18.14878
H2(g)
H2 = 2e- + 2H+
-Vm 24789.71191
-analytical_expression -0.006568 0 0.285413 0.002204 0 0 0
-log_K 0
H2O(g)
H2O = H2O
-Vm 24789.71191
-analytical_expression -18.473651 0 2820.718831 4.244215 0 0 0
-log_K 1.489127
H2S(g)
H2S + 4H2O = SO4-2 + 8e- + 10H+
-Vm 24789.71191
-analytical_expression 173.087205 0 -20865.981223 -58.499322 0 0 0
-log_K -41.699938
N2(g)
N2 + 6H2O = 2NO3- + 10e- + 12H+
-Vm 24789.71191
-analytical_expression 182.234055 0 -75312.823228 -56.614603 0 0 0
-log_K -210.455352
O2(g)
O2 + 4e- + 4H+ = 2H2O
-Vm 24789.71191
-analytical_expression -39.356141 0 30857.471179 7.664541 0 0 0
-log_K 83.104854
5CA
(CaO)1.25(SiO2)1(Al2O3)0.125(H2O)1.625 + 2.25H+ = 1.25Ca+2 + 0.25AlO2- + 2.75H2O + SiO2
-Vm 57.3
-analytical_expression -8.681198 0 5225.70552 2.847338 0 0 0
-log_K 15.88995
5CNA
(CaO)1.25(SiO2)1(Al2O3)0.125(Na2O)0.25(H2O)1.375 + 2.75H+ = 1.25Ca+2 + 0.5Na+ + 0.25AlO2- + 2.75H2O + SiO2
-Vm 64.51
-analytical_expression -15.798737 0 7769.891839 5.245569 0 0 0
-log_K 23.240018
AlOHam
Al(OH)3 = AlO2- + H+ + H2O
-Vm 31.956
-analytical_expression 21.767964 0 -4668.909881 -8.028999 0 0 0
-log_K -13.760077
AlOHmic
Al(OH)3 = AlO2- + H+ + H2O
-Vm 31.956
-analytical_expression 18.115845 0 -3851.361281 -8.028975 0 0 0
-log_K -14.670074
Amor-Sl
SiO2 = SiO2
-Vm 29
-analytical_expression 0 0 -809.189752 0 0 0 0
-log_K -2.714066
Anh
CaSO4 = Ca+2 + SO4-2
-Vm 45.94
-analytical_expression 131.227142 0 -5228.525356 -47.707058 0 0 0
-log_K -4.357536
Arg
CaCO3 = CO3-2 + Ca+2
-Vm 34.15
-analytical_expression 130.197564 0 -5675.517045 -48.293026 0 0 0
-log_K -8.336133
Brc
Mg(OH)2 + 2H+ = Mg+2 + 2H2O
-Vm 24.63
-analytical_expression -21.32009 0 6782.887663 6.227777 0 0 0
-log_K 16.8401
C2AClH5
Ca2AlCl(OH)6(H2O)2 + 2H+ = 2Ca+2 + Cl- + AlO2- + 6H2O
-Vm 136.15
-analytical_expression 66.786476 0 1762.591495 -23.542598 0 0 0
-log_K 14.365171
C2AH7.5
Ca2Al2(OH)10(H2O)2.5 + 2H+ = 2Ca+2 + 2AlO2- + 8.5H2O
-Vm 179.71001
-analytical_expression 17.808797 0 3827.297306 -6.644028 0 0 0
-log_K 14.200141
C2AH65
Ca2Al(OH)7(H2O)3 + 3H+ = 2Ca+2 + AlO2- + 8H2O
-Vm 137.235
-analytical_expression 27.662014 0 7522.207466 -9.502063 0 0 0
-log_K 29.376623
C2S
(CaO)2SiO2 + 4H+ = 2Ca+2 + 2H2O + SiO2
-Vm 51.79
-analytical_expression -4.75838 0 12467.437992 0.569296 0 0 0
-log_K 38.567691
C3A
(CaO)3Al2O3 + 4H+ = 3Ca+2 + 2AlO2- + 2H2O
-Vm 89.217
-analytical_expression 71.858176 0 21788.248051 -30.009988 0 0 0
-log_K 71.013492
C3AFS0.84H4.32
(AlFeO3)(Ca3O3(SiO2)0.84(H2O)4.32) + 4H+ = FeO2- + 3Ca+2 + AlO2- + 6.32H2O + 0.84SiO2
-Vm 145.51
-analytical_expression 84.816859 0 6813.298737 -34.506414 0 0 0
-log_K 22.280635
C3AH6
Ca3Al2O6(H2O)6 + 4H+ = 3Ca+2 + 2AlO2- + 8H2O
-Vm 149.702
-analytical_expression 6.92717 0 11498.865007 -4.036936 0 0 0
-log_K 35.500282
C3AS0.41H5.18
Ca3Al2O6(SiO2)0.41(H2O)5.18 + 4H+ = 3Ca+2 + 2AlO2- + 7.18H2O + 0.41SiO2
-Vm 146.12
-analytical_expression 15.787929 0 9382.192907 -7.403224 0 0 0
-log_K 28.932364
C3AS0.84H4.32
AlCa3AlO6(SiO2)0.84(H2O)4.32 + 4H+ = 3Ca+2 + 2AlO2- + 6.32H2O + 0.84SiO2
-Vm 142.492
-analytical_expression 25.095111 0 8272.186752 -10.93384 0 0 0
-log_K 25.780644
C3FH6
Ca3Fe2O6(H2O)6 + 4H+ = 2FeO2- + 3Ca+2 + 8H2O
-Vm 155.287
-analytical_expression 128.806374 0 8307.518545 -51.310648 0 0 0
-log_K 29.700289
C3FS0.84H4.32
(FeFeO3)(Ca3O3(SiO2)0.84(H2O)4.32) + 4H+ = 2FeO2- + 3Ca+2 + 6.32H2O + 0.84SiO2
-Vm 148.523
-analytical_expression 145.738478 0 5354.444017 -58.078978 0 0 0
-log_K 19.980634
C3FS1.34H3.32
Ca3Fe2O6(SiO2)1.34(H2O)3.32 + 4H+ = 2FeO2- + 3Ca+2 + 5.32H2O + 1.34SiO2
-Vm 148.523
-analytical_expression 155.93451 0 4156.512613 -62.109626 0 0 0
-log_K 16.18562
C3S
(CaO)3SiO2 + 6H+ = 3Ca+2 + 3H2O + SiO2
-Vm 73.18
-analytical_expression -6.720801 0 23294.175088 0.748984 0 0 0
-log_K 73.405906
C4AClH10
Ca4Al2Cl2(OH)12(H2O)4 + 4H+ = 2Cl- + 4Ca+2 + 2AlO2- + 12H2O
-Vm 272.3
-analytical_expression 133.572952 0 3525.182989 -47.085195 0 0 0
-log_K 28.730289
C4AF
(CaO)4(Al2O3)(Fe2O3) + 4H+ = 2FeO2- + 4Ca+2 + 2AlO2- + 2H2O
-Vm 130.202
-analytical_expression 307.746518 0 6436.091359 -112.699532 0 0 0
-log_K 50.893809
C4AH11
Ca4Al2(OH)14(H2O)4 + 6H+ = 4Ca+2 + 2AlO2- + 14H2O
-Vm 257.346
-analytical_expression 75.788218 0 15723.564353 -27.493686 0 0 0
-log_K 60.486292
C4AH13
Ca4Al2(OH)14(H2O)6 + 6H+ = 4Ca+2 + 2AlO2- + 16H2O
-Vm 274.47001
-analytical_expression 55.325344 0 15044.855527 -19.004596 0 0 0
-log_K 58.751897
C4AH19
Ca4Al2(OH)14(H2O)12 + 6H+ = 4Ca+2 + 2AlO2- + 22H2O
-Vm 368.69999
-analytical_expression -11.900205 0 16241.7182 6.460722 0 0 0
-log_K 58.550427
C4AsClH12
Ca4Al2Cl(SO4)0.5(OH)12(H2O)6 + 4H+ = Cl- + 4Ca+2 + 0.5SO4-2 + 2AlO2- + 14H2O
-Vm 288.60001
-analytical_expression 119.688175 0 3706.96797 -42.248411 0 0 0
-log_K 27.470295
C4FH13
Ca4Fe2(OH)14(H2O)6 + 6H+ = 2FeO2- + 4Ca+2 + 16H2O
-Vm 285.94
-analytical_expression 138.614269 0 5051.345155 -41.341951 0 0 0
-log_K 53.250431
C12A7
(CaO)12(Al2O3)7 + 10H+ = 12Ca+2 + 14AlO2- + 5H2O
-Vm 517.79999
-analytical_expression 523.897526 0 50319.498133 -212.361273 0 0 0
-log_K 166.898035
CA2
CaO(Al2O3)2 + H2O = Ca+2 + 4AlO2- + 2H+
-Vm 89.04
-analytical_expression 153.425544 0 -10161.804838 -60.379629 0 0 0
-log_K -29.744525
CA
CaOAl2O3 = Ca+2 + 2AlO2-
-Vm 53.66
-analytical_expression 77.01585 0 -458.174791 -30.627906 0 0 0
-log_K -0.026104
CAH10
CaOAl2O3(H2O)10 = Ca+2 + 2AlO2- + 10H2O
-Vm 193.985
-analytical_expression 13.654578 0 -2505.455035 -5.191264 0 0 0
-log_K -7.599997
Cal
CaCO3 = CO3-2 + Ca+2
-Vm 36.934
-analytical_expression 130.276347 0 -5689.203921 -48.36444 0 0 0
-log_K -8.479966
Cls
SrSO4 = SO4-2 + Sr+2
-Vm 46.25
-analytical_expression 138.560301 0 -6425.421539 -49.967439 0 0 0
-log_K -6.631871
CSH3T-T2C
((CaO)0.75(SiO2)0.5(H2O)1.25)2 + 3H+ = 1.5Ca+2 + 4H2O + SiO2
-Vm 80.5584
-analytical_expression -18.242686 0 7428.082891 7.517428 0 0 0
-log_K 25.270837
CSH3T-T5C
((CaO)1(SiO2)1(H2O)2)1.25 + 2.5H+ = 1.25Ca+2 + 3.75H2O + 1.25SiO2
-Vm 79.2605
-analytical_expression -18.519024 0 5127.78826 7.864154 0 0 0
-log_K 18.137305
CSH3T-TobH
(CaO)1(SiO2)1.5(H2O)2.5 + 2H+ = Ca+2 + 3.5H2O + 1.5SiO2
-Vm 84.96
-analytical_expression -18.821451 0 3282.489718 8.22098 0 0 0
-log_K 12.528815
CSHQ-JenD
(CaO)1.5(SiO2)0.6667(H2O)2.5 + 3H+ = 1.5Ca+2 + 4H2O + 0.6667SiO2
-Vm 81
-analytical_expression -15.591756 0 8609.739692 6.24251 0 0 0
-log_K 28.730362
CSHQ-JenH
(CaO)1.3333(SiO2)1(H2O)2.1667 + 2.6666H+ = 1.3333Ca+2 + 3.5H2O + SiO2
-Vm 76
-analytical_expression -17.10944 0 6470.553982 7.107847 0 0 0
-log_K 22.179305
CSHQ-TobD
((CaO)1.25(SiO2)1(H2O)2.75)0.6667 + 1.66675H+ = 0.833375Ca+2 + 2.6668H2O + 0.6667SiO2
-Vm 48
-analytical_expression -10.916344 0 3959.367696 4.563888 0 0 0
-log_K 13.655314
CSHQ-TobH
(CaO)0.6667(SiO2)1(H2O)1.5 + 1.3334H+ = 0.6667Ca+2 + 2.1667H2O + SiO2
-Vm 55
-analytical_expression -12.519254 0 2163.381583 5.476331 0 0 0
-log_K 8.286642
Dis-Dol
CaMg(CO3)2 = 2CO3-2 + Ca+2 + Mg+2
-Vm 64.39
-analytical_expression 251.91928 0 -10035.250176 -94.890789 0 0 0
-log_K -16.539822
ECSH1-KSH
((KOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.7H2O + 0.2SiO2 + 0.5K+
-Vm 12.4
-analytical_expression -5.730562 0 1108.807169 3.035639 0 0 0
-log_K 5.360034
ECSH1-NaSH
((NaOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.5Na+ + 0.7H2O + 0.2SiO2
-Vm 10.5
-analytical_expression -12.608734 0 1575.198378 5.146974 0 0 0
-log_K 5.270073
ECSH1-SH
(SiO2H2O)1 = H2O + SiO2
-Vm 33.8
-analytical_expression 0 0 -775.067607 0 0 0 0
-log_K -2.600016
ECSH1-SrSH
((Sr(OH)2)1SiO2H2O)1 + 2H+ = Sr+2 + 3H2O + SiO2
-Vm 64
-analytical_expression -14.8975 0 4225.657132 6.516963 0 0 0
-log_K 15.400027
ECSH1-TobCa
((Ca(OH)2)0.8333SiO2H2O)1 + 1.6666H+ = 0.8333Ca+2 + 2.6666H2O + SiO2
-Vm 68
-analytical_expression -13.776918 0 3023.19863 5.923868 0 0 0
-log_K 11.019995
ECSH2-JenCa
((Ca(OH)2)1.6667SiO2H2O)0.6 + 2.00004H+ = 1.00002Ca+2 + 2.60004H2O + 0.6SiO2
-Vm 36
-analytical_expression -22.977998 0 5250.037507 9.284551 0 0 0
-log_K 17.603574
ECSH2-KSH
((KOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.7H2O + 0.2SiO2 + 0.5K+
-Vm 12.4
-analytical_expression -5.730562 0 1257.985538 3.035639 0 0 0
-log_K 5.860381
ECSH2-NaSH
((NaOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.5Na+ + 0.7H2O + 0.2SiO2
-Vm 10.5
-analytical_expression -12.608734 0 1724.011114 5.146974 0 0 0
-log_K 5.769194
ECSH2-SrSH
((Sr(OH)2)1SiO2H2O)1 + 2H+ = Sr+2 + 3H2O + SiO2
-Vm 64
-analytical_expression -14.8975 0 4463.945549 6.516963 0 0 0
-log_K 16.19925
ECSH2-TobCa
((Ca(OH)2)0.8333SiO2H2O)1 + 1.6666H+ = 0.8333Ca+2 + 2.6666H2O + SiO2
-Vm 68
-analytical_expression -13.776918 0 3023.19863 5.923868 0 0 0
-log_K 11.019995
ettringite
((H2O)2)Ca6Al2(SO4)3(OH)12(H2O)24 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 34H2O
-Vm 707.03003
-analytical_expression 249.812807 0 -9575.448133 -83.467765 0 0 0
-log_K 11.100288
ettringite03_ss
(SO4)Ca2Al0.6666667(OH)4(H2O)8.6666667 + 1.3333332H+ = 2Ca+2 + SO4-2 + 0.6666667AlO2- + 11.3333333H2O + 0.0000001e- # added + 0.0000001e- to charge balance the reaction
-Vm 235.67699
-analytical_expression 83.270833 0 -3192.056993 -27.822547 0 0 0
-log_K 3.699287
ettringite05
Ca3Al(SO4)1.5(OH)6(H2O)13 + 2H+ = 3Ca+2 + 1.5SO4-2 + AlO2- + 17H2O
-Vm 353.51501
-analytical_expression 124.906404 0 -4787.82619 -41.733882 0 0 0
-log_K 5.549801
ettringite9
Ca6Al2(SO4)3(OH)12(H2O)3 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 11H2O
-Vm 360.99998
-analytical_expression 515.195568 0 -5706.663308 -181.076858 0 0 0
-log_K 47.941168
Ettringite9_des
Ca6Al2(SO4)3(OH)12(H2O)3 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 11H2O
-Vm 360.99998
-analytical_expression 515.195568 0 -5706.663308 -181.076858 0 0 0
-log_K 47.941168
ettringite13
Ca6Al2(SO4)3(OH)12(H2O)7 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 15H2O
-Vm 410.60001
-analytical_expression 411.78326 0 9912.899169 -164.096652 0 0 0
-log_K 38.931914
Ettringite13_des
Ca6Al2(SO4)3(OH)12(H2O)7 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 15H2O
-Vm 410.60001
-analytical_expression 411.78326 0 9912.899169 -164.096652 0 0 0
-log_K 38.931914
ettringite30
Ca6Al2(SO4)3(OH)12(H2O)24 + 4H+ = 6Ca+2 + 3SO4-2 + 2AlO2- + 32H2O
-Vm 707.79999
-analytical_expression 272.821479 0 -9993.558256 -91.956855 0 0 0
-log_K 11.701736
Fe-ettringite05
Ca3Fe(SO4)1.5(OH)6(H2O)13 + 2H+ = FeO2- + 3Ca+2 + 1.5SO4-2 + 17H2O
-Vm 358.77998
-analytical_expression 197.364253 0 -8624.223942 -65.634539 0 0 0
-log_K 5.999868
Fe-ettringite
Ca6Fe2(SO4)3(OH)12(H2O)26 + 4H+ = 2FeO2- + 6Ca+2 + 3SO4-2 + 34H2O
-Vm 717.55997
-analytical_expression 394.728405 0 -17248.229444 -131.269079 0 0 0
-log_K 12.000367
Fe-hemicarbonate
Ca3O3Fe2O3(CaCO3)0.5(CaO2H2)0.5(H2O)9.5 + 5H+ = 2FeO2- + 0.5CO3-2 + 4Ca+2 + 12.5H2O
-Vm 273.393
-analytical_expression 193.828235 0 10447.417422 -76.660531 0 0 0
-log_K 39.170367
Fe-monosulph05
Ca2FeS0.5O5(H2O)6 + 2H+ = FeO2- + 2Ca+2 + 0.5SO4-2 + 7H2O
-Vm 160.56999
-analytical_expression 120.283422 0 2063.244429 -46.465814 0 0 0
-log_K 12.215835
Fe-monosulphate
Ca4Fe2SO10(H2O)12 + 4H+ = 2FeO2- + 4Ca+2 + SO4-2 + 14H2O
-Vm 321.13998
-analytical_expression 240.566801 0 4126.078131 -92.931614 0 0 0
-log_K 24.430286
Fe
Fe + 2H2O = FeO2- + 3e- + 4H+
-Vm 7.092
-analytical_expression 132.340967 0 -12404.074019 -44.182581 0 0 0
-log_K -18.589211
Femonocarbonate
Ca4O4Fe2O3CO2(H2O)12 + 4H+ = 2FeO2- + CO3-2 + 4Ca+2 + 14H2O
-Vm 291.66599
-analytical_expression 249.334962 0 1093.382606 -93.590513 0 0 0
-log_K 21.410284
FeOOHmic
FeOOH = FeO2- + H+
-Vm 34.3055
-analytical_expression 100.061618 0 -8235.848429 -37.195525 0 0 0
-log_K -19.600073
Gbs
Al(OH)3 = AlO2- + H+ + H2O
-Vm 31.956
-analytical_expression 21.767948 0 -5075.650047 -8.028994 0 0 0
-log_K -15.123224
Gp
CaSO4(H2O)2 = Ca+2 + SO4-2 + 2H2O
-Vm 74.69
-analytical_expression 111.52996 0 -5116.920989 -39.988271 0 0 0
-log_K -4.580905
Gr
C + 3H2O = CO3-2 + 4e- + 6H+
-Vm 5.298
-analytical_expression 162.956174 0 -16787.603977 -56.097644 0 0 0
-log_K -32.159364
Gt
FeO(OH) = FeO2- + H+
-Vm 20.82
-analytical_expression 107.380005 0 -11314.633767 -37.192105 0 0 0
-log_K -22.599869
Hem
Fe2O3 + H2O = 2FeO2- + 2H+
-Vm 30.274
-analytical_expression 223.79664 0 -21596.779136 -78.175762 0 0 0
-log_K -42.079928
hemicarbonat10.5
(CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)10 + 5H+ = 0.5CO3-2 + 4Ca+2 + 2AlO2- + 13H2O
-Vm 261.264
-analytical_expression 77.626118 0 10184.22042 -27.955532 0 0 0
-log_K 42.602279
hemicarbonate
(CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)11.5 + 5H+ = 0.5CO3-2 + 4Ca+2 + 2AlO2- + 14.5H2O
-Vm 284.515
-analytical_expression 62.269608 0 9549.770855 -21.589162 0 0 0
-log_K 40.870354
hemicarbonate9
(CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)8.5 + 5H+ = 0.5CO3-2 + 4Ca+2 + 2AlO2- + 11.5H2O
-Vm 249.26001
-analytical_expression 93.058654 0 11173.871793 -34.321784 0 0 0
-log_K 45.601854
hemihydrate
CaSO4(H2O)0.5 = Ca+2 + SO4-2 + 0.5H2O
-Vm 61.73
-analytical_expression 126.983644 0 -4904.135062 -46.116125 0 0 0
-log_K -3.591424
hydrotalcite
Mg4Al2O7(H2O)10 + 6H+ = 4Mg+2 + 2AlO2- + 13H2O
-Vm 220.2
-analytical_expression -64.408885 0 14558.45083 17.606952 0 0 0
-log_K 27.981048
INFCA
(CaO)1(SiO2)1.1875(Al2O3)0.15625(H2O)1.65625 + 1.6875H+ = Ca+2 + 0.3125AlO2- + 2.5H2O + 1.1875SiO2
-Vm 59.31
-analytical_expression -4.743157 0 2835.081302 1.693048 0 0 0
-log_K 8.953727
INFCN
(CaO)1(SiO2)1.5(Na2O)0.3125(H2O)1.1875 + 2.625H+ = Ca+2 + 0.625Na+ + 2.5H2O + 1.5SiO2
-Vm 71.07
-analytical_expression -20.845546 0 6107.503138 7.727791 0 0 0
-log_K 18.759957
INFCNA
(CaO)1.25(SiO2)1(Al2O3)0.125(Na2O)0.25(H2O)1.375 + 2.75H+ = 1.25Ca+2 + 0.5Na+ + 0.25AlO2- + 2.75H2O + SiO2
-Vm 64.51
-analytical_expression -15.798737 0 7769.891839 5.245569 0 0 0
-log_K 23.240018
Jennite
(SiO2)1(CaO)1.666667(H2O)2.1 + 3.333334H+ = 1.666667Ca+2 + 3.766667H2O + SiO2
-Vm 78.4
-analytical_expression -19.396078 0 8669.561341 7.93557 0 0 0
-log_K 29.311107
K2O
K2O + 2H+ = H2O + 2K+
-Vm 40.38
-analytical_expression 6.476756 0 22428.269631 0.967431 0 0 0
-log_K 84.040201
K2SO4
K2SO4 = SO4-2 + 2K+
-Vm 65.5
-analytical_expression 135.069553 0 -7146.619808 -45.622186 0 0 0
-log_K -1.789931
Kln
Al2Si2O5(OH)4 = 2AlO2- + 2H+ + H2O + 2SiO2
-Vm 99.52
-analytical_expression 54.870319 0 -12400.265644 -20.854932 0 0 0
-log_K -38.323299
KSiOH
((KOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.7H2O + 0.2SiO2 + 0.5K+
-Vm 12.4
-analytical_expression -5.730562 0 1187.456467 3.035639 0 0 0
-log_K 5.763688 # fixed from 20 to 25 C standard state
Lim
CaO + 2H+ = Ca+2 + H2O
-Vm 16.764
-analytical_expression -1.936052 0 10151.015229 0.193158 0 0 0
-log_K 32.576144
M4A-OH-LDH
Mg4Al2(OH)14(H2O)3 + 6H+ = 4Mg+2 + 2AlO2- + 13H2O
-Vm 219.1
-analytical_expression -64.757092 0 16457.781625 17.72704 0 0 0
-log_K 34.300378
M6A-OH-LDH
Mg6Al2(OH)18(H2O)3 + 10H+ = 6Mg+2 + 2AlO2- + 17H2O
-Vm 305.44001
-analytical_expression -107.049491 0 30008.834801 30.062691 0 0 0
-log_K 67.980719
M8A-OH-LDH
Mg8Al2(OH)22(H2O)3 + 14H+ = 8Mg+2 + 2AlO2- + 21H2O
-Vm 392.36
-analytical_expression -149.690514 0 43575.149605 42.518503 0 0 0
-log_K 101.660954
Mag
FeFe2O4 + 2H2O = 3FeO2- + e- + 4H+
-Vm 44.524
-analytical_expression 342.751579 0 -34317.547939 -119.4011 0 0 0
-log_K -67.799781
Melanterite
FeSO4(H2O)7 = FeO2- + SO4-2 + e- + 4H+ + 5H2O
-Vm 146.5
-analytical_expression 42.012261 0 -13764.024167 -13.205643 0 0 0
-log_K -36.829266
Mg2AlC0.5OH
Mg2Al(OH)6(CO3)0.5(H2O)2 + 2H+ = 0.5CO3-2 + 2Mg+2 + AlO2- + 6H2O
-Vm 110.64
-analytical_expression 52.087082 0 2427.559551 -21.950718 0 0 0
-log_K 5.905352
Mg2FeC0.5OH
Mg2Fe(OH)6(CO3)0.5(H2O)2 + 2H+ = FeO2- + 0.5CO3-2 + 2Mg+2 + 6H2O
-Vm 118.24
-analytical_expression 123.467564 0 -1619.112448 -45.350343 0 0 0
-log_K 5.819333
Mg3AlC0.5OH
Mg3Al(OH)8(CO3)0.5(H2O)2.5 + 4H+ = 0.5CO3-2 + 3Mg+2 + AlO2- + 8.5H2O
-Vm 114.96
-analytical_expression 30.767468 0 9200.105421 -15.723139 0 0 0
-log_K 22.710152
Mg3FeC0.5OH
Mg3Fe(OH)8(CO3)0.5(H2O)2.5 + 4H+ = FeO2- + 0.5CO3-2 + 3Mg+2 + 8.5H2O
-Vm 119.04
-analytical_expression 102.147972 0 5075.604806 -39.122772 0 0 0
-log_K 22.364849
Mgs
MgCO3 = CO3-2 + Mg+2
-Vm 28.02
-analytical_expression 122.077828 0 -4543.697257 -46.52635 0 0 0
-log_K -8.287956
monocarbonate05
Ca2AlC0.5O4.5(H2O)5.5 + 2H+ = 0.5CO3-2 + 2Ca+2 + AlO2- + 6.5H2O
-Vm 130.979
-analytical_expression 70.00517 0 1099.718617 -24.823618 0 0 0
-log_K 12.265064
monocarbonate9
Ca4Al2CO9(H2O)9 + 4H+ = CO3-2 + 4Ca+2 + 2AlO2- + 11H2O
-Vm 233.56001
-analytical_expression 158.243914 0 4217.516791 -58.13549 0 0 0
-log_K 28.529678
monocarbonate
Ca4Al2CO9(H2O)11 + 4H+ = CO3-2 + 4Ca+2 + 2AlO2- + 13H2O
-Vm 261.95801
-analytical_expression 140.009891 0 2199.460032 -49.64706 0 0 0
-log_K 24.530285
mononitrate
Ca4Al2(OH)12N2O6(H2O)4 + 4H+ = 4Ca+2 + 2NO3- + 2AlO2- + 12H2O
-Vm 296.6
-analytical_expression 125.898043 0 2205.916688 -42.823015 0 0 0
-log_K 27.330282
mononitrite
Ca4Al2(OH)12N2O4(H2O)4 = 4Ca+2 + 2NO3- + 4e- + 2AlO2- + 10H2O
-Vm 275.1
-analytical_expression 155.801032 0 -16841.373096 -50.526302 0 0 0
-log_K -25.773636
monosulphate9
Ca4Al2SO10(H2O)9 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 11H2O
-Vm 274.59999
-analytical_expression 159.852574 0 4550.796558 -58.584347 0 0 0
-log_K 30.131523
monosulphate10_5
Ca4Al2SO10(H2O)10.5 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 12.5H2O
-Vm 281.6
-analytical_expression 145.904159 0 3409.965469 -52.21689 0 0 0
-log_K 28.112004
monosulphate12
Ca4Al2SO10(H2O)12 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 14H2O
-Vm 310.1
-analytical_expression 129.176276 0 3298.866824 -45.84964 0 0 0
-log_K 26.766183
monosulphate14
Ca4Al2SO10(H2O)14 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 16H2O
-Vm 331.6
-analytical_expression 102.943376 0 4849.121605 -37.359536 0 0 0
-log_K 26.74029
monosulphate16
Ca4Al2SO10(H2O)16 + 4H+ = 4Ca+2 + SO4-2 + 2AlO2- + 18H2O
-Vm 350.49999
-analytical_expression 86.970337 0 3920.996004 -29.6115 0 0 0
-log_K 26.825486
monosulphate1205
Ca2AlS0.5O5(H2O)6 + 2H+ = 2Ca+2 + 0.5SO4-2 + AlO2- + 7H2O
-Vm 155
-analytical_expression 64.588687 0 1649.307718 -22.925 0 0 0
-log_K 13.382785
Na2O
Na2O + 2H+ = 2Na+ + H2O
-Vm 25
-analytical_expression -23.111565 0 19655.835929 9.951451 0 0 0
-log_K 67.426798
Na2SO4
Na2SO4 = SO4-2 + 2Na+
-Vm 53.33
-analytical_expression 88.450221 0 -3841.556012 -30.659122 0 0 0
-log_K -0.276627
NaSiOH
((NaOH)2.5SiO2H2O)0.2 + 0.5H+ = 0.5Na+ + 0.7H2O + 0.2SiO2
-Vm 10.5
-analytical_expression -12.612802 0 1646.66001 5.148192 0 0 0
-log_K 5.64873 # fixed from 20 to 25 C standard state
Ord-Dol
CaMg(CO3)2 = 2CO3-2 + Ca+2 + Mg+2
-Vm 64.34
-analytical_expression 252.520277 0 -10378.423105 -94.890789 0 0 0
-log_K -17.089923
Portlandite
Ca(OH)2 + 2H+ = Ca+2 + 2H2O
-Vm 33.06
-analytical_expression -11.299363 0 7301.394065 3.883957 0 0 0
-log_K 22.799937
Py
FeSS + 10H2O = FeO2- + 2SO4-2 + 15e- + 20H+
-Vm 23.94
-analytical_expression 494.259016 0 -62035.882103 -164.356773 0 0 0
-log_K -120.499988
Qtz
SiO2 = SiO2
-Vm 22.688
-analytical_expression 0 0 -1117.053188 0 0 0 0
-log_K -3.745943
Sd
FeCO3 + 2H2O = FeO2- + CO3-2 + e- + 4H+
-Vm 29.378
-analytical_expression 250.136977 0 -22250.818869 -89.320508 0 0 0
-log_K -45.510001
straetlingite5_5
Ca2Al2SiO7(H2O)5.5 + 2H+ = 2Ca+2 + 2AlO2- + 6.5H2O + SiO2
-Vm 212.80001
-analytical_expression 37.907778 0 2181.475531 -15.409059 0 0 0
-log_K 7.084478
straetlingite7
Ca2Al2SiO7(H2O)7 + 2H+ = 2Ca+2 + 2AlO2- + 8H2O + SiO2
-Vm 215.49999
-analytical_expression 23.157422 0 1202.259407 -9.042894 0 0 0
-log_K 4.808689
straetlingite
Ca2Al2SiO7(H2O)8 + 2H+ = 2Ca+2 + 2AlO2- + 9H2O + SiO2
-Vm 216.11
-analytical_expression 11.402755 0 1366.913776 -4.798679 0 0 0
-log_K 4.107923
Str
SrCO3 = CO3-2 + Sr+2
-Vm 39.01
-analytical_expression 135.252007 0 -6419.173204 -49.705385 0 0 0
-log_K -9.270604
Sulfur
S + 4H2O = SO4-2 + 6e- + 8H+
-Vm 15.61
-analytical_expression 181.434769 0 -20059.230933 -60.591388 0 0 0
-log_K -35.786877
syngenite
K2Ca(SO4)2H2O = Ca+2 + 2SO4-2 + H2O + 2K+
-Vm 127.54
-analytical_expression 256.448003 0 -12598.952713 -89.469888 0 0 0
-log_K -7.200017
T2C-CNASHss
(CaO)1.5(SiO2)1(H2O)2.5 + 3H+ = 1.5Ca+2 + 4H2O + SiO2
-Vm 80.6
-analytical_expression -18.253184 0 7517.243302 7.519834 0 0 0
-log_K 25.565334
T5C-CNASHss
(CaO)1.25(SiO2)1.25(H2O)2.5 + 2.5H+ = 1.25Ca+2 + 3.75H2O + 1.25SiO2
-Vm 79.3
-analytical_expression -18.534936 0 5220.492792 7.869445 0 0 0
-log_K 18.445467
thaumasite
(CaSiO3)(CaSO4)(CaCO3)(H2O)15 + 2H+ = CO3-2 + 3Ca+2 + SO4-2 + 16H2O + SiO2
-Vm 330
-analytical_expression 167.233706 0 -8544.402669 -56.373637 0 0 0
-log_K -0.939919
Tob-I
(SiO2)2.4(CaO)2(H2O)3.2 + 4H+ = 2Ca+2 + 5.2H2O + 2.4SiO2
-Vm 140.8
-analytical_expression -33.40536 0 7370.767991 14.318972 0 0 0
-log_K 26.745369
Tob-II
(SiO2)1(CaO)0.833333(H2O)1.333333 + 1.666666H+ = 0.833333Ca+2 + 2.166666H2O + SiO2
-Vm 58.7
-analytical_expression -13.918819 0 3071.259317 5.96621 0 0 0
-log_K 11.143844
TobH-CNASHss
(CaO)1(SiO2)1.5(H2O)2.5 + 2H+ = Ca+2 + 3.5H2O + 1.5SiO2
-Vm 85
-analytical_expression -18.816693 0 3362.507631 8.219057 0 0 0
-log_K 12.797208
tricarboalu03
(CO3)Ca2Al0.6666667(OH)4(H2O)8.6666667 + 1.3333332H+ = CO3-2 + 2Ca+2 + 0.6666667AlO2- + 11.3333333H2O + 0.0000001e- # added + 0.0000001e- to charge balance the reaction
-Vm 216.8
-analytical_expression 82.318066 0 -2586.079211 -28.479545 0 0 0
-log_K 3.167231
Tro
FeS + 6H2O = FeO2- + SO4-2 + 9e- + 12H+
-Vm 18.2
-analytical_expression 314.679591 0 -38228.907533 -105.106645 0 0 0
-log_K -73.61999
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