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# This is a manual and partial translation of the CEMDATA18 database based on the PSI/Nagra databse (see references below)
# The list of references is at the end of the database
# The database is in the JSON format, to be read easily by both human and machine.
---
Metadata:
name: "CEMDATA18"
version: "0.3"
has_gibbs_energy: true
# version is custom version from specmicp
# changelog :
# - 0.3: with gibbs energy
# - 0.2: with molar masses of elements
# - 0.1: from PHREEQC version of cemdata
# Elements
# ========
Elements:
- element: "O"
component: "H2O"
molar_mass: 15.9994
- element: "E"
component: "E[-]"
molar_mass: 0.0
- element: "H"
component: "H[+]"
molar_mass: 1.00795
- element: "Al"
component: "AlO2[-]"
molar_mass: 26.9815
- element: "C"
component: "CO3[2-]"
molar_mass: 12.0108
- element: "Ca"
component: "Ca[2+]"
molar_mass: 40.078
- element: "Fe"
component: "FeO2[-]"
molar_mass: 55.8473
- element: "Cl"
component: "Cl[-]"
molar_mass: 55.845
- element: "Na"
component: "Na[+]"
molar_mass: 22.9898
- element: "Si"
component: "SiO2"
molar_mass: 28.0855
- element: "S"
component: "SO4[2-]"
molar_mass: 32.067
- element: "K"
component: "K[+]"
molar_mass: 39.0983
# Components
# ==========
Basis:
- label: H2O
molar_mass: 18.015 # g/mol
gibbs_f_tpr: -237.183 #kJ/mol
- label: E[-]
molar_mass: 0.00
gibbs_f_tpr: 0
- label: H[+]
molar_mass: 1.00795
activity:
a: 9.00
b: 0.062
gibbs_f_tpr: 0
- label: AlO2[-]
molar_mass: 26.981541
activity:
a: 4
b: 0.064
gibbs_f_tpr: -827.479 #kJ/mol
- label: Ca[2+]
molar_mass: 40.077999
activity:
a: 4.86
b: 0.15
gibbs_f_tpr: -552.790 #kJ/mol
- label: Cl[-]
molar_mass: 35.452999
activity:
a: 3.71
b: 0.01
gibbs_f_tpr: -131.290 #kJ/mol
- label: CO3[2-]
molar_mass: 60.01
activity:
a: 5.4
b: 0.064
gibbs_f_tpr: -527.982 #kJ/mol
- label: FeO2[-]
molar_mass: 87.843
activity:
a: 4
b: 0.064
gibbs_f_tpr: -368.258 #kJ/mol
- label: K[+]
molar_mass: 39.098301
activity:
a: 3.71
b: 0.01
gibbs_f_tpr: -282.462 #kJ/mol
- label: Na[+]
molar_mass: 22.989799
activity:
a: 4.32
b: 0.06
gibbs_f_tpr: -261.881 #kJ/mol
- label: SiO2
molar_mass: 60.08
activity:
a: 0.0
b: 0.0
gibbs_f_tpr: -833.411 #kJ/mol
- label: SO4[2-]
molar_mass: 32.067001
activity:
a: 5.31
b: -0.07
gibbs_f_tpr: -744.459 #kJ/mol
# Secondary aqueous species
# =========================
Aqueous:
- label: FeO2H
composition: H[+], FeO2[-]
log_k: -9.0339877
activity:
a: 0.0
b: 0.0
- label: SiO3[2-]
composition: H2O, SiO2, -2H[+]
log_k: 23.139999
activity:
a: 4.0
b: 0.064
- label: HSiO3[-]
composition: H2O, SiO2, -H[+]
log_k: 9.810017
activity:
a: 4.0
b: 0.064
- label: NaOH
composition: Na[+], H2O, -H[+]
log_k: 14.179994
activity:
a: 0.0
b: 0.0
- label: KOH
composition: K[+], H2O, -H[+]
log_k: 14.45995
activity:
a: 0.0
b: 0.0
- label: HO[-]
composition: H2O, -H[+]
log_k: 14.000072
activity:
a: 10.65
b: 0.064
- label: KSO4[-]
composition: SO4[2-], K[+]
log_k: -0.850029
activity:
a: 0.0
b: 0.0
- label: HSO4[-]
composition: SO4[2-], H[+]
log_k: -1.987722
activity:
a: 4.0
b: 0.064
- label: NaSO4[-]
composition: SO4[2-],Na[+]
log_k: -0.700065
activity:
a: 4.0
b: 0.064
- label: FeSO4[+]
composition: SO4[2-],4H[+],FeO2[-],-2H2O
log_k: -25.639965
activity:
a: 4.0
b: 0.064
- label: FeHSO4[2+]
composition: SO4[2-],5H[+],FeO2[-],-2H2O
log_k: -26.067958
activity:
a: 4.0
b: 0.064
- label: AlSO4[+]
composition: SO4[2-],AlO2[-],4H[+],-2H2O
log_k: -26.779235
activity:
a: 4.0
b: 0.064
- label: NaHCO3
composition: CO3[2-],Na[+],H[+]
log_k: -10.078938
activity:
a: 0.0
b: 0.0
- label: NaCO3[-]
composition: CO3[2-],Na[+]
log_k: -1.269963
activity:
a: 4.0
b: 0.064
- label: Fe[3+]
composition: 4H[+],FeO2[-],-2H2O
log_k: -21.599876
activity:
a: 9.0
b: 0.0
- label: FeOH[2+]
composition: 3H[+],FeO2[-],-H2O
log_k: -19.409983
activity:
a: 4.0
b: 0.064
- label: FeCl3
composition: 3Cl[-],4H[+],FeO2[-],-2H2O
log_k: -22.729861
activity:
a: 0.0
b: 0.0
- label: AlO[+]
composition: AlO2[-],2H[+],-H2O
log_k: -12.285123
activity:
a: 4.0
b: 0.064
- label: AlOH[2+]
composition: AlO2[-],3H[+],-H2O
log_k: -17.921907
activity:
a: 4.0
b: 0.064
- label: AlSiO5[3-]
composition: AlO2[-],H2O,SiO2,-2H[+]
log_k: 22.609995
activity:
a: 4.0
b: 0.064
- label: AlHSiO3[2+]
composition: AlO2[-],-H2O,SiO2,+3H[+]
log_k: -20.469103
activity:
a: 4.0
b: 0.064
- label: Al[3+]
composition: AlO2[-],4H[+],-2H2O
log_k: -22.879124
activity:
a: 6.65
b: 0.19
- label: Al(SO4)2[-]
composition: 2SO4[2-],AlO2[-],4H[+],-2H2O
log_k: -28.77922
activity:
a: 4.0
b: 0.064
- label: Si4O10[4-]
composition: 2H2O,4SiO2,-4H[+]
log_k: 36.299995
activity:
a: 4.0
b: 0.064
- label: FeO[+]
composition: 2H[+],FeO2[-],-H2O
log_k: -15.929981
activity:
a: 4.0
b: 0.064
- label: Fe2(OH)2[4+]
composition: 2FeO2[-],6H[+],-2H2O
log_k: -40.249753
activity:
a: 4.0
b: 0.064
- label: FeHSiO3[2+]
composition: FeO2[-],3H[+],SiO2,-H2O
log_k: -21.489856
activity:
a: 4.0
b: 0.064
- label: Fe3(OH)4[5+]
composition: 3FeO2[-],8H[+],-2H2O
log_k: -58.499629
activity:
a: 4.0
b: 0.064
- label: Fe(SO4)2[-]
composition: 2SO4[2-],4H[+],FeO2[-],-2H2O
log_k: -26.98004
activity:
a: 4.0
b: 0.064
- label: AlO2H
composition: AlO2[-],H[+]
log_k: -6.446694
activity:
a: 0.0
b: 0.0
- label: CaOH[+]
composition: Ca[2+],H2O,-H[+]
log_k: 12.780039
activity:
a: 4.0
b: 0.064
- label: CaHCO3[+]
composition: CO3[2-],Ca[2+],H[+]
log_k: -11.434569
activity:
a: 4.0
b: 0.064
- label: CaCO3
composition: CO3[2-], Ca[2+]
log_k: -3.224223
activity:
a: 0.0
b: 0.0
- label: HCO3[-]
composition: CO3[2-],H[+]
log_k: -10.328936
activity:
a: 5.4
b: 0.0
- label: CO2
composition: CO3[2-],2H[+],-H2O
log_k: -16.681026
activity:
a: 0.0
b: 0.0
- label: CaSiO3
composition: Ca[2+],H2O,SiO2,-2H[+]
log_k: 18.54
activity:
a: 0.0
b: 0.0
- label: CaHSiO3[+]
composition: Ca[2+],H2O,SiO2,-H[+]
log_k: 8.609958
activity:
a: 4.0
b: 0.064
- label: CaSO4
composition: Ca[2+],SO4[2-]
log_k: -2.300088
activity:
a: 0.0
b: 0.0
- label: FeCl[2+]
composition: Cl[-],4H[+],FeO2[-],-2H2O
log_k: -23.079893
activity:
a: 4.0
b: 0.064
- label: FeCl2[+]
composition: 2Cl[-],4H[+],FeO2[-],-2H2O
log_k: -23.729853
activity:
a: 4.0
b: 0.064
# Solid phases
# ===========
Minerals:
# CEMDATA18
# ----------
- label: Al(OH)3(am)
formula: AlO3H3
composition: AlO2[-],H[+],H2O
log_k: -13.760077
molar_volume: 31.956
- label: Al(OH)3(mic)
formula: AlO3H3
composition: AlO2[-],H[+],H2O
log_k: -14.670074
molar_volume: 31.956
- label: SiO2(am)
formula: SiO2
composition: SiO2
log_k: -2.714066
molar_volume: 29
- label: Anhydrite
formula: CaSO4
composition: Ca[2+],SO4[2-]
log_k: -4.357536
molar_volume: 45.94
- label: Aragonite
formula: CaCO3
composition: CO3[2-],Ca[2+]
log_k: -8.336133
molar_volume: 34.15
flag_kinetic: 1
- label: C2AClH5
formula: Ca2AlClO6H6:2H2O
composition: 2Ca[2+],Cl[-],AlO2[-],6H2O,-2H[+]
log_k: 14.365171
molar_volume: 136.15
- label: C2AH7.5
formula: Ca2Al2(OH)10:2.5H2O
composition: 2Ca[2+],2AlO2[-],8.5H2O,-2H[+]
log_k: 14.200141
molar_volume: 179.71001
- label: C2AH65
formula: Ca2Al(OH)7:3H2O
composition: -3H[+],2Ca[2+],AlO2[-],8H2O
log_k: 29.376623
molar_volume: 137.235
- label: C2S
formula: (CaO)2SiO2
composition: -4H[+],2Ca[2+],2H2O,SiO2
log_k: 38.567691
molar_volume: 51.79
flag_kinetic: 1
- label: C3A
formula: (CaO)3Al2O3
composition: -4H[+],3Ca[2+],2AlO2[-],2H2O
log_k: 71.013492
molar_volume: 89.217
flag_kinetic: 1
- label: C3AFS0_84H4_32
formula: AlFeO3Ca3O3(SiO2)0.84(H2O)4.32
composition: FeO2[-],3Ca[2+],AlO2[-],6.32H2O,0.84SiO2,-4H[+]
log_k: 22.280635
molar_volume: 145.51
- label: C3AH6
formula: Ca3Al2O6:6H2O
composition: 3Ca[2+],2AlO2[-],8H2O,-4H[+]
log_k: 35.500282
molar_volume: 149.702
- label: C3AS0_41H5_18
formula: Ca3Al2O6(SiO2)0.41:5.18H2O
composition: -4H[+],3Ca[2+],2AlO2[-],7.18H2O,0.41SiO2
log_k: 28.932364
molar_volume: 146.12
flag_kinetic: 1
- label: C3AS0_84H4_32
formula: Ca3Al2O6(SiO2)0.84:4.32H2O
composition: -4H[+],3Ca[2+],2AlO2[-],6.32H2O,0.84SiO2
log_k: 25.780644
molar_volume: 142.492
flag_kinetic: 1
- label: C3FH6
formula: Ca3Fe2O6:6H2O
composition: -4H[+],2FeO2[-],3Ca[2+],8H2O
log_k: 29.700289
molar_volume: 155.287
- label: C3FS0_84H4_32
formula: Ca3Fe2O6(SiO2)0.84:4.32H2O
composition: -4H[+],3Ca[2+],2FeO2[-],6.32H2O,0.84SiO2
log_k: 19.980634
molar_volume: 148.523
- label: C3FS1_34H3_32
formula: Ca3Fe2O6(SiO2)1.34:3.32H2O
composition: -4H[+],3Ca[2+],2FeO2[-],5.32H2O,1.34SiO2
log_k: 16.18562
molar_volume: 148.523
- label: C3S
formula: (CaO)3SiO2
composition: -6H[+],3Ca[2+],3H2O,SiO2
log_k: 73.405906
molar_volume: 73.18
flag_kinetic: 1
- label: Friedels_salt
formula: Ca4Al2Cl2(OH)12:4H2O
composition: -4H[+],2Cl[-],4Ca[2+],2AlO2[-],12H2O
log_k: 28.730289
molar_volume: 272.13
- label: C4AF
formula: (CaO)4(Al2O3)(Fe2O3)
composition: -4H[+],2FeO2[-],4Ca[2+],2AlO2[-],2H2O
log_k: 50.893809
molar_volume: 130.202
flag_kinetic: 1
- label: C4AH11
formula: Ca4Al2(OH)14:4H2O
composition: -6H[+],4Ca[2+],2AlO2[-],14H2O
log_k: 60.486292
molar_volume: 257.346
- label: C4AH13
formula: Ca4Al2(OH)14:6H2O
composition: -6H[+],4Ca[2+],2AlO2[-],16H2O
log_k: 58.751897
molar_volume: 274.47001
- label: C4AH19
formula: Ca4Al2(OH)14:12H2O
composition: -6H[+],4Ca[2+],2AlO2[-],22H2O
log_k: 58.550427
molar_volume: 368.69999
- label: Kuzels_salt
formula: Ca4Al2Cl(SO4)0.5(OH)12:6H2O
composition: -4H[+],Cl[-],4Ca[2+],0.5SO4[2-],2AlO2[-],14H2O
log_k: 27.470295
molar_volume: 288.60001
- label: C4FH13
formula: Ca4Fe2(OH)14:6H2O
composition: -6H[+],4Ca[2+],2FeO2[-],16H2O
log_k: 53.250431
molar_volume: 285.94
- label: C12A7
formula: (CaO)12(Al2O3)7
composition: 12 Ca[2+], 14AlO2[-], 5H2O, -10H[+]
log_k: 166.898035
molar_volume: 517.79999
- label: CA2
formula: CaO(Al2O3)2
composition: Ca[2+], 4AlO2[-], 2H[+], -H2O
log_k: -29.744525
molar_volume: 89.04
- label: CA
formula: CaOAl2O3
composition: Ca[2+], 2AlO2[-]
log_k: -0.026104
molar_volume: 53.66
- label: CAH10
formula: CaOAl2O3(H2O)10
composition: Ca[2+],2AlO2[-],10H2O
log_k: -7.599997
molar_volume: 193.985
- label: Calcite
formula: CaCO3
composition: CO3[2-],Ca[2+]
log_k: -8.479966
molar_volume: 36.934
- label: CSHQ-JenD
formula: (CaO)1.5(SiO2)0.6667(H2O)2.5
composition: -3H[+],+1.5Ca[2+],4H2O,0.6667SiO2
log_k: -28.7
molar_volume: 81.0
- label: CSHQ-JenH
formula: (CaO)1.3333(SiO2)1(H2O)2.1667
composition: -2.6666H[+],+1.3333Ca[2+],3.5H2O,SiO2
log_k: -22.2
molar_volume: 76.0
- label: CSHQ-TobD
formula: (CaO)0.833375(SiO2)0.6667(H2O)1.833425
composition: -1.66675H[+],+0.833375Ca[2+],2.6668H2O,0.6667SiO2
log_k: -13.7
molar_volume: 48.0
- label: CSHQ-TobH
formula: (CaO)0.6667(SiO2)1(H2O)1.5
composition: -1.3334H[+],+0.6667Ca[2+],2.1667H2O,SiO2
log_k: -8.3
molar_volume: 55.0
- label: Ettringite
formula: (H2O)2Ca6Al2(SO4)3(OH)12(H2O)24
composition: -4H[+],6Ca[2+],3SO4[2-],2AlO2[-],34H2O
log_k: 11.100288
molar_volume: 707.03003
- label: EttringiteO3_SS
formula: (SO4)Ca2Al0.6666667(OH)4(H2O)8.6666667
composition: -1.3333333H[+],2Ca[2+],SO4[2-],0.6666667AlO2[-],11.3333333H2O
log_k: 3.699287
molar_volume: 235.67699
- label: Ettringite05
formula: Ca3Al(SO4)1.5(OH)6(H2O)13
composition: -2H[+],3Ca[2+],1.5SO4[2-],AlO2[-],17H2O
log_k: 5.549801
molar_volume: 353.51501
- label: Ettringite9
formula: Ca6Al2(SO4)3(OH)12(H2O)3
composition: -4H[+],6Ca[2+],3SO4[2-],2AlO2[-],11H2O
log_k: 47.941168
molar_volume: 360.99998
- label: Ettringite13
formula: Ca6Al2(SO4)3(OH)12(H2O)7
composition: -4H[+],6Ca[2+],3SO4[2-],2AlO2[-],15H2O
log_k: 38.931914
molar_volume: 410.60001
- label: Ettringite30
formula: Ca6Al2(SO4)3(OH)12(H2O)24
composition: -4H[+],6Ca[2+],3SO4[2-],2AlO2[-],32H2O
log_k: 11.701736
molar_volume: 707.79999
- label: Fe-Ettringite05
formula: Ca3Fe(SO4)1.5(OH)6(H2O)13
composition: -2H[+],3Ca[2+],1.5SO4[2-],FeO2[-],17H2O
log_k: 5.999868
molar_volume: 358.77998
- label: Fe-Ettringite
formula: Ca6Fe2(SO4)3(OH)12(H2O)26
composition: -4H[+],6Ca[2+],3SO4[2-],2FeO2[-],34H2O
log_k: 12.000367
molar_volume: 717.55997
- label: Fe-Hemicarbonate
formula: Ca3O3Fe2O3(CaCO3)0.5(CaO2H2)0.5(H2O)9.5
composition: -5H[+],2FeO2[-],0.5CO3[2-],4Ca[2+],12.5H2O
log_k: 39.170367
molar_volume: 273.393
- label: Fe-Monosulph05
formula: Ca2FeS0.5O5(H2O)6
composition: -2H[+],FeO2[-],2Ca[2+],0.5SO4[2-],7H2O
log_k: 12.215835
molar_volume: 160.56999
- label: Fe-monosulphate
formula: Ca4Fe2SO10(H2O)12
composition: -4H[+],2FeO2[-],4Ca[2+],SO4[2-],14H2O
log_k: 24.430286
molar_volume: 321.13998
- label: Fe-Monocarbonate
formula: Ca4O4Fe2O3CO2(H2O)12
composition: -4H[+], 2FeO2[-],CO3[2-],4Ca[2+],14H2O
log_k: 21.410284
molar_volume: 291.66599
- label: FeOOH(mic)
formula: FeOOH
composition: FeO2[-],H[+]
log_k: -19.600073
molar_volume: 34.3055
- label: Gibbsite
formula: Al(OH)3
composition: AlO2[-],H[+],H2O
log_k: -15.123224
molar_volume: 31.956
- label: Gypsum
formula: CaSO4(H2O)2
composition: Ca[2+],SO4[2-],2H2O
log_k: -4.580905
molar_volume: 74.69
- label: Goethite
formula: FeO(OH)
composition: FeO2[-], H[+]
log_k: -22.599869
molar_volume: 20.82
- label: Hematite
formula: Fe2O3
composition: 2FeO2[-],2H[+],-H2O
log_k: -42.079928
molar_volume: 30.274
- label: Hemicarbonate10.5
formula: (CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)10
composition: -5H[+],0.5CO3[2-],4Ca[2+],2AlO2[-],13H2O
log_k: 42.602279
molar_volume: 261.264
- label: Hemicarbonate
formula: (CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)11.5
composition: -5H[+],0.5CO3[2-],4Ca[2+],2AlO2[-],14.5H2O
log_k: 40.870354
molar_volume: 284.515
- label: Hemicarbonate9
formula: (CaO)3Al2O3(CaCO3)0.5(CaO2H2)0.5(H2O)8.5
composition: -5H[+],0.5CO3[2-],4Ca[2+],2AlO2[-],11.5H2O
log_k: 45.601854
molar_volume: 249.26001
- label: Hemihydrate
formula: CaSO4(H2O)0.5
composition: Ca[2+],SO4[2-],0.5H2O
log_k: -3.591424
molar_volume: 61.73
- label: Jennite
formula: (SiO2)1(CaO)1.666667(H2O)2.1
composition: -3.333334H[+],1.666667Ca[2+],3.766667H2O,SiO2
log_k: 29.311107
molar_volume: 78.4
- label: K2O
formula: K2O
composition: -2H[+],H2O,2K[+]
log_k: 84.040201
molar_volume: 40.38
- label: K2SO4
formula: K2SO4
composition: SO4[2-],2K[+]
log_k: -1.789931
molar_volume: 65.5
- label: Kaolinite
formula: Al2Si2O5(OH)4
composition: 2AlO2[-],2H[+],H2O,2SiO2
log_k: -38.323299
molar_volume: 99.52
- label: KSiOH
formula: (KOH)0.5(SiO2)0.2(H2O)0.2
composition: -0.5H[+],0.7H2O,0.2SiO2,0.5K[+]
log_k: 12.4
molar_volume: 5.763688
- label: Lime
formula: CaO
composition: -2H[+], Ca[2+], H2O
log_k: 32.576144
molar_volume: 16.764
flag_kinetic: 1
- label: Monocarbonate05
formula: Ca2AlC0.5O4.5(H2O)5.5
composition: -2H[+],0.5CO3[2-],2Ca[2+],AlO2[-],6.5H2O
log_k: 12.265064
molar_volume: 130.979
- label: Monocarbonate9
formula: Ca4Al2CO9(H2O)9
composition: -4H[+],CO3[2-],4Ca[2+],2AlO2[-],11H2O
log_k: 233.56001
molar_volume: 28.529678
- label: Monocarbonate
formula: Ca4Al2CO9(H2O)11
composition: -4H[+],CO3[2-],4Ca[2+],2AlO2[-],13H2O
log_k: 24.530285
molar_volume: 261.95801
- label: Monosulphate9
formula: Ca4Al2SO10(H2O)9
composition: -4H[+],4Ca[2+],SO4[2-],2AlO2[-],11H2O
log_k: 30.131523
molar_volume: 274.59999
- label: Monosulphate10_5
formula: Ca4Al2SO10(H2O)10.5
composition: -4H[+],4Ca[2+],SO4[2-],2AlO2[-],12.5H2O
log_k: 28.112004
molar_volume: 281.6
- label: Monosulphate12
formula: Ca4Al2SO10(H2O)12
composition: -4H[+],4Ca[2+],SO4[2-],2AlO2[-],14H2O
log_k: 26.766183
molar_volume: 310.1
- label: Monosulphate14
formula: Ca4Al2SO10(H2O)14
composition: -4H[+],4Ca[2+],SO4[2-],2AlO2[-],16H2O
log_k: 26.74029
molar_volume: 331.6
- label: Monosulphate16
formula: Ca4Al2SO10(H2O)16
composition: -4H[+],4Ca[2+],SO4[2-],2AlO2[-],18H2O
log_k: 26.825486
molar_volume: 350.49999
- label: Monosulphate1205
formula: Ca2AlS0.5O5(H2O)6
composition: -2H[+],2Ca[2+],0.5SO4[2-],AlO2[-],7H2O
log_k: 13.382785
molar_volume: 155
flag_kinetic: 1
- label: Na2O
formula: Na2SO4
composition: SO4[2-],2Na[+]
log_k: -0.276627
molar_volume: 53.33
- label: NaSiOH
formula: (NaOH)0.5(SiO2)0.2(H2O)0.2
composition: -0.5H[+],0.5Na[+],0.7H2O,0.2SiO2
log_k: 5.64873
molar_volume: 10.5
- label: Portlandite
formula: Ca(OH)2
composition: -2H[+],Ca[2+],2H2O
log_k: 22.799937
molar_volume: 33.06
- label: Quartz
formula: SiO2
composition: SiO2
log_k: -3.745943
molar_volume: 22.688
- label: straetlingite5_5
formula: Ca2Al2SiO7(H2O)5.5
composition: -2H[+],2Ca[2+],2AlO2[-],6.5H2O,SiO2
log_k: 7.084478
molar_volume: 212.80001
- label: straetlingite7
formula: Ca2Al2SiO7(H2O)7
composition: -2H[+],2Ca[2+],2AlO2[-],8H2O,SiO2
log_k: 4.808689
molar_volume: 215.49999
- label: straetlingite
formula: Ca2Al2SiO7(H2O)8
composition: -2H[+],2Ca[2+],2AlO2[-],9H2O,SiO2
log_k: 4.107923
molar_volume: 216.11
- label: Syngenite
formula: K2Ca(SO4)2H2O
composition: Ca[2+],2SO4[2-],H2O,2K[+]
log_k: -7.200017
molar_volume: 127.54
- label: Thaumasite
formula: (CaSiO3)(CaSO4)(CaCO3)(H2O)15
composition: -2H[+],CO3[2-],3Ca[2+],SO4[2-],16H2O,SiO2
log_k: -0.939919
molar_volume: 330
- label: Tricarboaluminate
formula: (CO3)Ca2Al0.6666667(OH)4(H2O)8.6666667
composition: -1.3333333H[+],CO3[2-],2Ca[2+],0.6666667AlO2[-],11.3333333H2O
log_k: 3.167231
molar_volume: 216.8
# Compounds
# ==========
Compounds :
- label: "NaCl"
composition: "Na[+], Cl[-]"
- label: "H2CO3"
composition: "HCO3[-], H[+]"
- label: "KCl"
composition: "K[+], Cl[-]"
- label: "CaCl2"
composition: "Ca[2+], 2 Cl[-]"
- label: "HCl"
composition: "H[+], Cl[-]"
- label: "Ca(OH)2"
composition: "Ca[2+], 2 HO[-]"
- label: "Na2SO4"
composition: "2 Na[+], SO4[2-]"
- label: "K2SO4"
composition: "2 K[+], SO4[2-]"
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