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Table D.4

Condensed phase Gibbs free energy data extracted from the SUPCRTBL database (Zimmer et al. 2016).

No. Formula Name b0 b1 b2 b3 b4 σ [kJ mol−1]
1 ZrO2 BADDELEYITE −347.6 2.648723e+05 −3.340550e+00 −3.414969e+01 3.635220e−03 −4.584324e−07 ±0.14
2 ZrSiO4 ZIRCON −320.1 4.900611e+05 −8.787114e+00 −5.527139e+01 8.613074e−03 −1.027249e−06 ±0.26
3 Al2O3 CORUNDUM −316.4 3.686315e+05 −8.641215e+00 −3.798714e+01 8.874690e−03 −1.024209e−06 ±0.42
4 Ca2Al2SiO7 GEHLENITE −315.9 8.625975e+05 −1.533457e+01 −1.143058e+02 1.632128e−02 −1.836678e−06 ±0.53
5 Ca3Al2Si3O12 GROSSULAR −314.1 1.457200e+06 −3.049843e+01 −1.691883e+02 3.164365e−02 −3.657780e−06 ±1.28
6 Ca2SiO4 LARNITE −313.3 4.925717e+05 −7.561371e+00 −7.350215e+01 8.818589e−03 −9.618190e−07 ±0.23
7 CaAl2SiO6 Ca-TSCHERMAKS −313.3 7.292797e+05 −1.488941e+01 −8.659854e+01 1.582366e−02 −1.810913e−06 ±0.57
8 Ca3Si2O7 RANKINITE −312.1 8.533219e+05 −1.389306e+01 −1.213161e+02 1.564223e−02 −1.814195e−06 ±0.60
9 MgAl2O4 SPINEL −311.0 4.912197e+05 −1.043835e+01 −6.070647e+01 1.107213e−02 −1.213724e−06 ±0.42
10 CaSiO3 WOLLASTONITE −309.8 3.603498e+05 −6.690462e+00 −4.577239e+01 7.145265e−03 −8.108841e−07 ±0.26
11 Ca5P3O12F FLUORAPATITE −309.1 1.411299e+06 −2.348482e+01 −2.134680e+02 2.699044e−02 −3.118360e−06 ±0.84
12 Ca3MgSi2O8 MERWINITE −308.5 9.728542e+05 −1.618741e+01 −1.392443e+02 1.804333e−02 −2.020680e−06 ±0.68
13 CaAl2Si2O8 ANORTHITE −308.3 9.529318e+05 −2.009489e+01 −1.046593e+02 2.000063e−02 −2.277610e−06 ±0.84
14 CaTiSiO5 SPHENE −307.4 5.922714e+05 −1.238208e+01 −6.590011e+01 1.323755e−02 −1.584733e−06 ±0.61
15 Ca2MgSi2O7 AKERMANITE −305.8 8.405318e+05 −1.269676e+01 −1.275788e+02 1.371402e−02 −1.450183e−06 ±0.37
16 Al2SiO5 KYANITE −305.4 5.917326e+05 −1.433362e+01 −5.773181e+01 1.438186e−02 −1.670007e−06 ±0.55
17 CaMgSiO4 MONTICELLITE −304.9 4.818448e+05 −8.787430e+00 −6.715236e+01 9.912023e−03 −1.160460e−06 ±0.34
18 CaMgSi2O6 DIOPSIDE −302.8 7.087080e+05 −1.484631e+01 −8.419222e+01 1.555722e−02 −1.793114e−06 ±0.62
19 MgAl2SiO6 Mg-TSCHERMAKS −302.0 7.118491e+05 −1.538535e+01 −8.324974e+01 1.591182e−02 −1.724839e−06 ±0.46
20 CaO LIME −301.6 1.273800e+05 −1.455968e+00 −2.479564e+01 2.333874e−03 −2.664018e−07 ±0.11
21 KMg3AlSi3O10F2 FLUORPHLOGOPITE −300.9 1.342665e+06 −2.662439e+01 −1.797165e+02 2.659617e−02 −2.835390e−06 ±1.12
22 Mg3Al2Si3O12 PYROPE −296.7 1.402656e+06 −3.072607e+01 −1.635848e+02 3.136489e−02 −3.582534e−06 ±1.23
23 TiO2 RUTILE −296.4 2.296961e+05 −3.392573e+00 −3.338416e+01 3.426975e−03 −3.572185e−07 ±0.07
24 MgTiO3 GEIKIELITE −296.1 3.517143e+05 −6.698669e+00 −4.773530e+01 7.802853e−03 −9.366533e−07 ±0.34
25 Ca2Al3Si3O13H CLINOZOISITE −295.6 1.560747e+06 −3.510366e+01 −1.680363e+02 3.352398e−02 −3.806883e−06 ±1.37
26 CaSi2O5 CaSi-TITANITE −293.7 5.759983e+05 −1.513590e+01 −4.985255e+01 1.548385e−02 −1.893205e−06 ±0.83
27 Mg2SiO4 FORSTERITE −293.4 4.685652e+05 −9.176566e+00 −6.544643e+01 9.627992e−03 −1.038920e−06 ±0.30
28 MgSiO3 ENSTATITE −291.6 3.458775e+05 −7.257035e+00 −4.345839e+01 7.516612e−03 −8.200336e−07 ±0.22
29 Ca5Si2CO11 SPURRITE −291.4 1.329424e+06 −2.132758e+01 −1.950763e+02 2.422856e−02 −2.735895e−06 ±0.83
30 KAlSi3O8 MICROCLINE −288.5 9.258438e+05 −2.002663e+01 −1.044972e+02 1.928080e−02 −2.158177e−06 ±0.60
31 Ca5P3O13H HYDROXYAPATITE −288.1 1.440061e+06 −2.948136e+01 −1.882099e+02 3.109138e−02 −3.217938e−06 ±1.61
32 KAlSiO4 KALSILITE −286.9 4.774370e+05 −9.688874e+00 −6.070594e+01 1.032885e−02 −1.168394e−06 ±0.35
33 KAlSi2O6 LEUCITE −286.7 6.994399e+05 −1.408596e+01 −8.441743e+01 1.342159e−02 −1.489176e−06 ±0.33
34 NaAlSi3O8 ALBITE −285.6 9.232283e+05 −2.012507e+01 −1.039484e+02 1.953868e−02 −2.217366e−06 ±0.63
35 SiO2 QUARTZ −285.5 2.222506e+05 −5.478967e+00 −1.969170e+01 4.907829e−03 −5.612476e−07 ±0.18
36 NaAlSi2O6 JADEITE −284.7 7.011353e+05 −1.413739e+01 −9.120226e+01 1.397186e−02 −1.513554e−06 ±0.45
37 MgO PERICLASE −284.6 1.195366e+05 −2.104910e+00 −2.122681e+01 2.564436e−03 −2.957752e−07 ±0.11
38 NaAlSiO4 NEPHELINE −282.9 4.759180e+05 −1.098517e+01 −5.306336e+01 1.100831e−02 −1.241451e−06 ±0.32
39 Ca2MnAl2Si3O13H PIEMONTITE(ORDERED) −280.0 1.513754e+06 −3.077556e+01 −1.907176e+02 2.793700e−02 −3.063564e−06 ±1.09
40 CaAl4Si2O12H2 MARGARITE −279.0 1.443099e+06 −3.373819e+01 −1.571716e+02 3.303015e−02 −3.705003e−06 ±1.07
41 Ca2Al2Si3O12H2 PREHNITE −277.4 1.434914e+06 −3.196401e+01 −1.641458e+02 3.145388e−02 −3.528334e−06 ±1.01
42 Ca2FeAl2Si3O13H EPIDOTE(ORDERED) −276.6 1.521106e+06 −3.241005e+01 −1.857802e+02 3.245728e−02 −3.668356e−06 ±1.36
43 Ca5Si2C2O13 TILLEYITE −273.3 1.537055e+06 −2.652043e+01 −2.135833e+02 2.876369e−02 −3.172582e−06 ±0.87
44 Ca3Fe2Si3O12 ANDRADITE −271.4 1.373546e+06 −2.766753e+01 −1.840431e+02 3.011350e−02 −3.455637e−06 ±1.16
45 KMg2Al3Si2O12H2 EASTONITE −270.2 1.439124e+06 −3.232163e+01 −1.763878e+02 3.221755e−02 −3.756024e−06 ±1.09
46 Mn3Al2Si3O12 SPESSARTINE −268.3 1.381612e+06 −2.857798e+01 −1.787062e+02 3.043611e−02 −3.453339e−06 ±1.15
47 CaFeSi2O6 HEDENBERGITE −268.0 6.981350e+05 −1.348390e+01 −9.302132e+01 1.450960e−02 −1.588910e−06 ±0.45
48 Mg3Cr2Si3O12 KNORRINGITE −267.8 1.348934e+06 −2.497408e+01 −1.966352e+02 2.701188e−02 −3.090497e−06 ±1.02
49 K2Si4O9 Si-WADEITE −267.5 1.016675e+06 −2.009772e+01 −1.385171e+02 1.940090e−02 −2.058947e−06 ±0.50
50 Mg2Al2Si3O12H2 TSCHERMAK-TALC −267.2 1.400979e+06 −3.625955e+01 −1.386779e+02 3.417640e−02 −3.826802e−06 ±1.51
51 KAl3Si3O12H2 MUSCOVITE −266.5 1.414776e+06 −3.449122e+01 −1.503871e+02 3.394598e−02 −3.828482e−06 ±1.10
52 KMg3AlSi3O12H2 PHLOGOPITE −265.2 1.417930e+06 −3.144794e+01 −1.792887e+02 3.133804e−02 −3.671162e−06 ±1.07
53 NaAl3Si3O12H2 PARAGONITE −264.9 1.413363e+06 −3.295879e+01 −1.610931e+02 3.236865e−02 −3.608740e−06 ±0.90
54 AlSi2O6H PYROPHYLLITE −263.4 6.892108e+05 −1.659504e+01 −7.266395e+01 1.542338e−02 −1.735233e−06 ±0.40
55 NaMg3AlSi3O12H2 SODAPHLOGOPITE −263.3 1.414930e+06 −3.155196e+01 −1.788363e+02 3.159871e−02 −3.730675e−06 ±1.11
56 FeAl2O4 HERCYNITE −262.9 4.816286e+05 −1.048218e+01 −6.061770e+01 1.156339e−02 −1.306461e−06 ±0.48
57 Mg3Si4O12H2 TALC −262.8 1.382604e+06 −3.420699e+01 −1.502025e+02 3.251454e−02 −3.772182e−06 ±1.35
58 KMgAlSi4O12H2 CELADONITE −259.8 1.390437e+06 −3.361618e+01 −1.544995e+02 3.306604e−02 −3.743581e−06 ±1.09
59 NaCrSi2O6 KOSMOCHLOR −257.5 6.765279e+05 −1.125471e+01 −1.086861e+02 1.179478e−02 −1.267462e−06 ±0.34
60 Ca2FeAlSi3O12H2 FERRI-PREHNITE −257.1 1.393161e+06 −3.104842e+01 −1.689573e+02 3.137888e−02 −3.535514e−06 ±1.00
61 MnTiO3 PYROPHANITE −256.7 3.435012e+05 −5.536905e+00 −5.436775e+01 7.170529e−03 −8.519687e−07 ±0.32
62 Ca2Fe2AlSi3O13H Fe-EPIDOTE −256.5 1.478087e+06 −3.103944e+01 −1.946633e+02 3.139057e−02 −3.529827e−06 ±1.35
63 MgAl2SiO7H2 Mg-CHLORITOID −254.5 8.346090e+05 −2.320869e+01 −7.849664e+01 2.128252e−02 −2.422756e−06 ±0.80
64 MnSiO3 PYROXMANGITE −249.2 3.355832e+05 −6.945405e+00 −4.433766e+01 7.426667e−03 −8.613014e−07 ±0.34
65 CaAl2Si4O14H4 WAIRAKITE −248.8 1.633745e+06 −3.834118e+01 −1.809888e+02 3.572679e−02 −4.035846e−06 ±1.15
66 KAlSi3O9H2 K-CYMRITE −247.4 1.038223e+06 −2.399976e+01 −1.183881e+02 2.236149e−02 −2.482468e−06 ±0.68
67 Fe3Al2Si3O12 ALMANDINE −246.9 1.376944e+06 −3.016241e+01 −1.707578e+02 3.187560e−02 −3.563550e−06 ±1.11
68 Al2SiO6H2 HYDROXY-TOPAZ −244.2 7.100468e+05 −1.892466e+01 −7.372280e+01 1.753940e−02 −1.941487e−06 ±0.55
69 KFeAlSi4O12H2 FERROCELADONITE −243.0 1.378812e+06 −3.315759e+01 −1.566005e+02 3.278410e−02 −3.675750e−06 ±1.02
70 NaFeSi2O6 ACMITE −241.7 6.583105e+05 −1.441096e+01 −8.729880e+01 1.476475e−02 −1.542019e−06 ±0.48
71 MnAl2SiO7H2 Mn-CHLORITOID −238.6 8.259787e+05 −2.111654e+01 −9.285036e+01 2.038330e−02 −2.293290e−06 ±0.66
72 NaAlSi2O7H2 ANALCITE −237.6 8.176590e+05 −1.519133e+01 −1.214758e+02 1.562853e−02 −1.269436e−06 ±0.38
73 CaAl2Si2O10H4 LAWSONITE −237.6 1.191594e+06 −3.176561e+01 −1.226891e+02 2.966229e−02 −3.109709e−06 ±0.77

Notes. The condensates are sorted according to , that is, SUPCRTBL’s Gibbs free energy of formation [kJ mol−1] from the elements in their reference state at p⊖ = 1 bar and reference temperature Tref = 298.15 K, devided by N, the sum of stoichiometric factors. are the Gibbs free energies of formation of the condensates from free atoms at p⊖ = 1 bar and temperature T, needed for Eq. (12), which are fitted according to . The last column is the standard deviation between the generated SUPCRTBL data points and the functional fit between 100 and 2500 K in kJ mol−1.

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