// this is a manual and partial translation of the cemdata database { "Metadata": { "version": "0.0.1", "last-modification": "04/05/2014" }, "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+], 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 } } ], "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 }, //{ // "label": "Gibbsite", // "composition": "Al[3+], 3 H2O, -3 H[+]", // "log_k": 7.7561 //}, { "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": "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-], 4 HO[-], 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 }, { "label": "Monosulfoaluminate", "composition": "4 Ca[2+], 2 Al(OH)4[-], SO4[2-], 4 HO[-], 6 H2O", "log_k": -29.26 } ] }