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specmicp/data/cemdata_specmicp.js
6e170dc80e1ekinetics

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cemdata_specmicp.js
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// this is a manual and partial translation of the cemdata database
{
"Metadata": {
"version": "0.0.1",
"last-modification": "04/29/2014"
},
"Basis": [
{
"label": "H2O"
},
{
"label": "H[+]",
"activity": {
"a": 9.00,
"b": 0.00
}
},
{
"label": "Al[3+]",
"activity": {
"a": 6.65,
"b": 0.19
}
},
{
"label": "HCO3[-]",
"activity": {
"a": 5.40,
"b": 0.00
}
},
{
"label": "Ca[2+]",
"activity": {
"a": 4.86,
"b": 0.15
}
},
{
"label": "Si(OH)4",
"activity": {
"a": 0.00,
"b": 0.10
}
},
{
"label": "SO4[2-]",
"activity": {
"a": 5.31,
"b": -0.07
}
}
],
"Aqueous": [
{
"label": "HO[-]",
"composition": "H2O, - H[+]",
"log_k": 13.9995,
"activity": {
"a": 10.65,
"b": 0.00
}
},
{
"label": "AlOH[2+]",
"composition": "Al[3+], H2O, -H[+]",
"log_k": 4.9573,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "Al(OH)2[+]",
"composition": "Al[3+], 2 H2O, -2 H[+]",
"log_k": 10.5943,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "Al(OH)3",
"composition": "Al[3+], 3 H2O, -3 H[+]",
"log_k": 16.4328,
"activity": {
"a": 0.00,
"b": 0.10
}
},
{
"label": "Al(OH)4[-]",
"composition": "Al[3+], 4 H2O, -4 H[+]",
"log_k": 22.8797,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "AlSO4[+]",
"composition": "Al[3+], SO4[2-]",
"log_k": -3.900,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "Al(SO4)2[-]",
"composition": "Al[3+], 2 SO4[2-]",
"log_k": -5.9000,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "HSO4[-]",
"composition": "SO4[2-], H[+]",
"log_k": -1.9878,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "CO2",
"composition": "-H2O, H[+], +HCO3[-]",
"log_k": -6.3519,
"activity": {
"a": 0.00,
"b": 0.10
}
},
{
"label": "CO3[2-]",
"composition": "HCO3[-],- H[+]",
"log_k": 10.3289,
"activity": {
"a": 5.40,
"b": 0.00
}
},
{
"label": "CaSO4",
"composition": "Ca[2+], SO4[2-]",
"log_k": -2.300,
"activity": {
"a": 0.00,
"b": 0.10
}
},
{
"label": "SiO(OH)3[-]",
"composition": "Si(OH)4, -H[+]",
"log_k": 9.8100,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "SiO2(OH)2[2-]",
"composition": "Si(OH)4, -2 H[+]",
"log_k": 23.1400,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "AlSiO(OH)3[2+]",
"composition": "Al[3+], SiO(OH)3[-]",
"log_k": -7.400,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "Al(OH)6SiO[-]",
"composition": "Al(OH)4[-], Si(OH)4, -H2O",
"log_k": -3.600,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "CaCO3",
"composition": "HCO3[-], Ca[2+], -H[+]",
"log_k": 7.1048,
"activity": {
"a": 0.00,
"b": 0.10
}
},
{
"label": "CaHCO3[+]",
"composition": "HCO3[-], Ca[2+]",
"log_k": -1.1057,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "CaOH[+]",
"composition": "Ca[2+], H2O, -H[+]",
"log_k": 12.7800,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "CaSiO(OH)3[+]",
"composition": "Ca[2+], SiO(OH)3[-]",
"log_k": -1.200,
"activity": {
"a": 4.00,
"b": 0.00
}
},
{
"label": "CaSiO2(OH)2",
"composition": "Ca[2+], SiO2(OH)2[2-]",
"log_k": -4.60,
"activity": {
"a": 0.00,
"b": 0.10
}
},
{
"label": "HSO4[-]",
"composition": "H[+], SO4[2-]",
"log_k": -1.9878,
"activity": {
"a": 4.00,
"b": 0.00
}
}
],
"Minerals": [
{
"label": "Portlandite",
"composition": "Ca[2+], +2 H2O, -2 H[+]",
"log_k": 22.800
},
{
"label": "SiO2,am",
"composition": "SiO(OH)3[-], - H2O, - HO[-]",
"log_k": 1.476
},
{
"label": "CSH,jennite",
"composition": "1.6667 Ca[2+], 2.3333 HO[-], SiO(OH)3[-], -0.5567 H2O",
"log_k": -13.17
},
{
"label": "CSH,tobermorite",
"composition": "0.8333 Ca[2+], 0.6667 HO[-], SiO(OH)3[-], -0.5 H2O",
"log_k": -8.00
},
{
"label": "Calcite",
"composition": "Ca[2+], HCO3[-], -H[+]",
"log_k": 1.8490
},
{
"label": "Kaolinite",
"composition": "2 Al[3+], 2 Si(OH)4, H2O, -6 H[+]",
"log_k": 7.4350,
"flag_kinetic": "true"
},
{
"label": "Gibbsite",
"composition": "Al[3+], 3 H2O, -3 H[+]",
"log_k": 7.7561,
"flag_kinetic": "true"
},
{
"label": "Al(OH)3,am",
"composition": "Al(OH)4[-], -HO[-]",
"log_k": 0.24
},
{
"label": "Tricarboaluminate",
"composition": "6 Ca[2+], 2 Al(OH)4[-], 3 CO3[2-], 4 HO[-], 26 H2O",
"log_k": -46.5
},
// {
// "label": "C3AH6",
// "composition": "3 Ca[2+], 2 Al(OH)4[-], 4 HO[-]",
// "log_k": -20.84
// },
// {
// "label": "C4AH13",
// "composition": "4 Ca[2+], 2 Al(OH)4[-], 6 HO[-], 6 H2O",
// "log_k": -25.40
// },
// {
// "label": "C2AH8",
// "composition": "2 Ca[2+], 2 Al(OH)4[-], 2 HO[-], 3 H2O",
// "log_k": -13.56
// },
{
"label": "Monosulfoaluminate",
"composition": "4 Ca[2+], 2 Al(OH)4[-], SO4[2-], 4 HO[-], 6 H2O",
"log_k": -29.26
},
{
"label": "Monocarboaluminate",
"composition": "4 Ca[2+], 2 Al(OH)4[-], CO3[2-], 4 HO[-], 5 H2O",
"log_k": -31.47
},
{
"label": "Hemicarboaluminate",
"composition": "4 Ca[2+], 2 Al(OH)4[-], 0.5 CO3[2-], 5 HO[-], 5.5 H2O",
"log_k": -29.13
},
{
"label": "Straetlingite",
"composition": "2 Ca[2+], 2 Al(OH)4[-], SiO(OH)3[-], HO[-], 2 H2O",
"log_k": -19.70
},
// {
// "label": "CAH10",
// "composition": "Ca[2+], 2 Al(OH)4[-], 6 H2O",
// "log_k": -7.50
// },
// {
// "label": "Anhydrite",
// "composition": "Ca[2+], SO4[2-]",
// "log_k": -4.3575
// },
{
"label": "Gypsum",
"composition": "Ca[2+], SO4[2-], 2 H2O",
"log_k": -4.5809
},
{
"label": "Ettringite",
"composition": "6 Ca[2+], 2 Al(OH)4[-], 3 SO4[2-], 4 HO[-], 26 H2O",
"log_k": -44.9
},
{
"label": "Thaumasite",
"composition": "6 Ca[2+], 2 SiO(OH)3[-], 2 SO4[2-], 2 CO3[2-], 2 HO[-], 26 H2O",
"log_k": -49.4
},
// Hydrates
{
"label": "C3S",
"composition": "3 Ca[2+], 5 HO[-], -4 H2O, 1 SiO(OH)3[-]",
"log_k": 50,
"flag_kinetic": "true"
},
{
"label": "C2S",
"composition": "2 Ca[2+], 3 HO[-], -3 H2O, 1 SiO(OH)3[-]",
"log_k": 50,
"flag_kinetic": "true"
},
{
"label": "C3A",
"composition": "3 Ca[2+], 8 HO[-], -6 H2O, 2 Al(OH)2[+]",
"log_k": 50,
"flag_kinetic": "true"
}
]
}
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