{ "Metadata": { "version": "0.0.1", "last-modification": "06/05/2014" }, "Basis": [ { "label": "H2O", "molar_mass": 18.015 // g/mol }, { "label": "HO[-]", "molar_mass": 1.008, "activity": { "a": 10.65, "b": 0 } }, { "label": "Ca[2+]", "molar_mass": 40.078, "activity": { "a": 4.86, "b": 0.15 } }, { "label": "SiO(HO)3[-]", "molar_mass": 95.008, "activity": { "a": 10.65, "b": 0.00 } }, { "label": "SO4[2-]", "molar_mass": 96.063, "activity": { "a": 5.31, "b": -0.07 } }, { "label": "HCO3[-]", "molar_mass": 61.016, "activity": { "a": 5.40, "b": 0.00 } }, { "label": "Na[+]", "molar_mass": 22.99, "activity": { "a": 4.32, "b": 0.06 } }, { "label": "Cl[+]", "molar_mass": 35.453, "activity": { "a": 3.71, "b": 0.01 } } ], "Aqueous": [ { "label": "H[+]", "composition": "H2O, - HO[-]", "log_k": 13.9995, "activity": { "a": 9.00, "b": 0.00 } }, { "label": "Si(OH)4", "composition": "SiO(HO)3[-], H2O, - HO[-]", "log_k": 4.8595 }, { "label": "SiO2(OH)2[2-]", "composition": "SiO(HO)3[-], - H2O, + HO[-]", "log_k": 0.1005, "activity": { "a": 4.00, "b": 0.00 } }, { "label": "CaSO4(aq)", "composition": "Ca[2+], SO4[2-]", "log_k": -2.3 }, { "label": "CaOH[+]", "composition": "Ca[2+], HO[-]", "log_k": -1.2195, "activity":{ "a": 4.00, "b": 0.00 } }, { "label": "CO3[2-]", "composition": "HCO3[-], - H2O, HO[-]", "log_k": -3.6706, "activity": { "a": 5.40, "b": 0.00 } }, { "label": "CO2(aq)", "composition": "HCO3[-], - HO[-]", "log_k": 7.6476 }, { "label": "CaCO3(aq)", "composition": "Ca[2+], HCO3[-], HO[-], -H2O", "log_k": -6.8947 }, { "label": "CaHCO3[+]", "composition": "Ca[2+], HCO3[-]", "log_k": -1.1057, "activity": { "a": 4.00, "b": 0.00 } }, { "label": "CaSiO(HO)3[+]", "composition": "Ca[2+], SiO(HO)3[-]", "log_k": -1.2, "activity": { "a": 4.00, "b": 0.00 } }, { "label": "CaSiO2(HO)2(aq)", "composition": "Ca[2+], SiO(HO)3[-], HO[-], - H2O", "log_k": -4.4995 }, { "label": "NaOH(aq)", "composition": "Na[+], HO[-]", "log_k": 0.1805 }, { "label": "NaSO4[-]", "composition": "Na[+], SO4[2-]", "log_k": -0.7, "activity": { "a": 4.00, "b": 0.00 } }, { "label": "NaCO3[-]", "composition": "Na[+], HO[-], HCO3[-], - H2O", "log_k": -4.9405, "activity": { "a": 4.00, "b": 0.00 } }, { "label": "NaHCO3(aq)", "composition": "Na[+], HCO3[-]", "log_k": 0.25 } ], "Minerals": [ { "label": "Portlandite", "composition": "Ca[2+], 2 HO[-]", "log_k": -5.1995 }, { "label": "SiO2,am", "composition": "SiO(HO)3[-], - H2O, - HO[-]", "log_k": 1.476 }, { "label": "CSH,jennite", "composition": "1.6667 Ca[2+], 2.3334 HO[-], SiO(HO)3[-], -0.5567 H2O", "log_k": -13.17 }, { "label": "CSH,tobermorite", "composition": "0.8333 Ca[2+], 0.6666 HO[-], SiO(HO)3[-], -0.5 H2O", "log_k": -8.00 }, { "label": "Calcite", "composition": "Ca[2+], HCO3[-], HO[-], -H2O", "log_k": -12.1505 }, { "label": "Gypsum", "composition": "Ca[2+], SO4[2-], 2 H2O", "log_k": -4.5809 } ] }