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Table D.2

Condensed phase data fitted and collected from different sources.

No. Formula Name ρ [g cm−3] Fit Restriction c0 c1 c2 c3 c4 σ [kJ mol−1]
1 Al2O3[s] CORUNDUM(α) 3.97 5 3.68836E+05 −7.75003E+00 −4.32225E+01 7.53364E−03 −7.64141E−07 ±0.54
2 Al2O3[l] 2.78 5 3.64246E+05 −1.63572E+00 −8.13311E+01 2.51029E−03 3.18884E−08 ±1.80
3 MgAl2O4[s] SPINEL 3.58 5 4.90917E+05 −1.01783E+01 −6.09577E+01 1.00839E−02 −9.21697E−07 ±0.57
4 MgAl2O4[l] 2.75 5 4.70478E+05 −1.35143E+00 −1.08539E+02 2.76930E−03 −7.78980E−08 ±0.86
5 TiO2[s] RUTILE 4.23 3 <4047 K −7.70443E+04 4.03144E+01 −2.59140E−03 6.02422E−07 −6.86899E−11 ±0.04
6 TiO2[l] 3.40 3 −7.07819E+04 3.68021E+01 −1.29214E−03 −6.87776E−08 1.89408E−11 ±0.02
7 Ti4O7[s] TITANIUM-OXIDE 4.19 2 1.85821E+06 −7.06188E+06 1.70429E+03 −4.67044E−02 4.71514E−06 ±0.09
8 Ti4O7[l] 3.40 2 5.06384E+06 −6.89199E+06 1.64108E+03 −5.93652E−02 4.64893E−06 ±0.43
9 Mg2SiO4[s] FOSTERITE 3.21 2 <5298 K 1.70117E+06 −3.93154E+06 1.04604E+03 −1.77300E−02 7.18369E−07 ±0.14
10 Mg2SiO4[l] 2.60 2 3.26302E+06 −3.87698E+06 1.03152E+03 −2.48587E−02 1.67747E−06 ±0.15
11 MgSiO3[s] ENSTATITE 3.19 2 1.06060E+06 −2.90401E+06 7.57655E+02 −1.37019E−02 1.51773E−06 ±1.30
12 MgSiO3[l] 2.60 2 2.94675E+06 −2.86104E+06 7.52974E+02 −2.55722E−02 2.36166E−06 ±0.15
13 Fe[s] IRON(α-δ) 7.87 3 −4.99622E+04 3.21370E+01 6.68363E−04 −1.13811E−06 2.57277E−10 ±0.05
14 Fe[l] 6.98 3 −4.87741E+04 3.26355E+01 −1.38271E−03 1.09701E−07 0.00000E+00 ±0.03
15 Fe2SiO4[s] FAYALITE 4.39 5 4.49574E+05 −9.27141E+00 −6.61500E+01 1.04125E−02 −1.09203E−06 ±0.38
16 FeS[s] TROILITE 4.83 3 −5.69922E+04 3.86753E+01 −4.68301E−03 1.03559E−06 −8.42872E−11 ±0.08
17 FeS[l] 3.90 3 −5.26135E+04 3.46138E+01 −3.55056E−03 7.59195E−07 −6.94708E−11 ±0.08
18 MgTi2O5[s] MG-DITITANATE 4.64 2 <5318 K 2.12742E+06 −4.86574E+06 1.21637E+03 −2.34246E−02 8.39658E−07 ±0.40
19 MgTi2O5[l] 3.70 2 5.49485E+06 −4.75803E+06 1.18602E+03 −4.08290E−02 3.08428E−06 ±0.32
20 C[s] GRAPHITE 2.27 4 3.27860E+01 −8.65139E+04 4.80395E−01 0.00000E+00 0.00000E+00 ±0.06
21 TiC[s] TITANIUM-CARBIDE 4.93 2 <6425 K 1.11878E+05 −1.37612E+06 3.20666E+02 −4.63379E−03 1.85306E−07 ±0.32
22 TiC[l] 3.90 2 5.34201E+05 −1.30289E+06 3.01268E+02 −6.61621E−03 5.21065E−07 ±0.03
23 SiC[s] SILICON-CARBIDE(α) 3.21 2 6.73337E+05 −1.24381E+06 3.21779E+02 −4.54405E−03 2.69711E−07 ±0.07
24 SiO[s] SI-MONOXIDE 2.18 10 −4.95200E+04 3.25200E+01
25 SiO2[s] QUARTZ 2.65 3 −7.28086E+04 3.65312E+01 −2.56109E−04 −5.24980E−07 1.53343E−10 ±0.08
26 SiO2[l] 2.10 3 −7.18591E+04 3.59570E+01 −6.57765E−04 −3.78705E−08 8.78339E−12 ±0.08
27 Zr[s] ZIRCONIUM(β) 6.52 3 <3565 K −7.28816E+04 3.11094E+01 −6.94825E−04 2.42125E−07 −3.55274E−11 ±0.01
28 Zr[l] 5.80 3 −7.14144E+04 3.06541E+01 −5.47166E−04 4.59756E−08 −9.40737E−13 ±0.02
29 ZrO2[s] BADDELEYITE 5.68 3 −9.77238E+04 4.18463E+01 −2.22011E−03 3.20813E−07 −1.60657E−11 ±0.06
30 ZrO2[l] 5.00 3 −8.87286E+04 3.86685E+01 −1.94950E−03 2.38918E−07 −1.43097E−11 ±0.11
31 ZrSiO4[s] ZR-SILICATE 4.56 5 4.90061E+05 −8.78711E+00 −5.52714E+01 8.61307E−03 −1.02725E−06 ±0.26
32 W[s] TUNGSTEN 19.25 3 <4431 K −1.02351E+05 3.07543E+01 −6.13643E−06 5.36528E−08 −1.19522E−11 ±0.03
33 W[l] 17.60 3 −9.66863E+04 2.90491E+01 2.11260E−04 −5.93323E−08 6.15431E−12 ±0.01
34 WO3[s] W-TRIOXIDE 7.16 3 <3476 K −6.63560E+04 4.06161E+01 −2.83452E−03 6.33945E−07 −7.73057E−11 ±0.01
35 WO3[l] 7.00 3 −5.98226E+04 3.68387E+01 −1.60492E−03 −3.33151E−07 8.09588E−11 ±0.01
36 MgO[s] PERICLASE 3.58 3 <5782 K −7.91838E+04 3.57312E+01 1.45021E−04 −8.47194E−08 4.49221E−12 ±0.09
37 MgO[l] 2.90 3 −7.07437E+04 3.25683E+01 6.94583E−04 −2.71415E−07 2.24580E−11 ±0.04
38 FeO[s] FERROPERICLASE 5.99 3 −6.30018E+04 3.66364E+01 −2.42990E−03 3.18636E−07 0.00000E+00 ±0.01
39 FeO[l] 5.50 3 −6.03086E+04 3.48392E+01 −2.21932E−03 2.77859E−07 −1.56828E−11 ±0.01
40 Na2SiO3[s] NA-METASILICATE 2.40 2 <3108 K 1.31453E+06 −2.98538E+06 8.76910E+02 −2.65571E−02 1.15443E−06 ±0.17
41 Na2SiO3[l] 1.90 2 1.72092E+06 −2.93824E+06 8.49423E+02 −3.54866E−02 3.74762E−06 ±0.09
42 H2O[s] WATER-ICE 0.93 7 <747 K 6111.5 23.036 −333.7 279.82
43 H2O[l] WATER 1.00 6 >193 K 2.98605E+01 −3.15220E+03 −7.30370E+00 2.42470E−09 1.80900E−06
44 NH3[s/l] AMONIA 0.87 8 10.53 −2161.0 −86596.0
45 CH4[s/l] METHANE 0.66 9 3.9895 −443.028 −0.490
46 CO[s/l] C-MONOXIDE 1.14 6 5.18145E+01 −7.88240E+02 −2.27340E+01 5.12250E−02 4.66030E−11
47 CO2[s/l] C-DIOXIDE 1.98 6 3.50187E+01 −1.51190E+03 −1.13350E+01 9.33830E−03 7.76260E−10
48 H2SO4[s/l] SULPHURIC-ACID 1.84 2 9.70368E+05 −2.53825E+06 9.35422E+02 −4.96224E−02 0.00000E+00 ±0.35
49 Na[s] SODIUM 0.97 3 −1.30424E+04 2.70281E+01 −1.44654E−03 −4.12467E−07 3.86734E−10 ±0.00
50 Na[l] 0.93 3 −1.26494E+04 2.58560E+01 −1.36371E−03 2.63744E−07 0.00000E+00 ±0.00
51 NaCl[s] HALITE 2.17 3 −2.79146E+04 3.46023E+01 −3.11287E−03 5.30965E−07 −2.59584E−12 ±0.00
52 NaCl[l] 1.30 3 −2.48880E+04 3.18494E+01 −3.08748E−03 4.84990E−07 −2.60359E−11 ±0.13
53 KCl[s] SYLVITE 1.99 3 −2.69250E+04 3.39574E+01 −2.04903E−03 −2.83957E−07 1.82974E−10 ±0.01
54 KCl[l] 1.60 3 −2.50293E+04 3.39453E+01 −4.61815E−03 7.36857E−07 0.00000E+00 ±0.04
55 S[s] SULPHUR 2.05 3 −3.32020E+04 2.90980E+01 3.44461E−03 −4.54179E−06 1.85126E−09 ±0.00
56 S[l] 1.70 3 −3.32601E+04 3.07134E+01 −2.01083E−03 4.47359E−07 0.00000E+00 ±0.04
57 MgS[s] MG-SULPHIDE 2.68 2 −3.08737E+04 −7.70053E+05 2.69294E+02 −5.60302E−03 3.38303E−07 ±0.11
58 LiCl[s] LI-CHLORIDE 2.07 3 −2.57733E+04 3.36349E+01 −2.43056E−03 2.35233E−07 0.00000E+00 ±0.08
59 LiCl[l] 1.70 3 −2.38196E+04 3.23179E+01 −4.07306E−03 1.00591E−06 −9.65764E−11 ±0.01
60 SiS2[s] SI-DISULFIDE 1.85 2 <2571 K −1.96413E+05 −1.21744E+06 4.29645E+02 −1.32885E−02 9.27515E−07 ±0.01
61 SiS2[l] 1.50 2 5.45975E+05 −1.21556E+06 4.34344E+02 −1.99379E−02 2.31933E−06 ±0.02

Notes. Solid compounds are marked with “[s]” and liquids with “[l]”, whereas “[s/l]” denote condensates treated as a single combined species. The standard pressure is p⊖ = 1 bar unless otherwise noted. TC = T − 273.15 is the temperaturein °C. Restriction: this fit should not be applied beyond the indicated temperature as it will create a secondary spurious intersection point with the other phase. In GGCHEM, we deal with this by artificially increasing pvap above/below this temperature for solid/liquid species, respectively, which is far away from the melting point anyway. σ is the standard deviation of the fitted values from the data points [kJ mol−1].

Fit 1: , data from Sharp & Huebner (1990), note that p⊖ = 1 atm.

Fit 2: , fitted to NIST-JANAF data (Chase 1986) by the authors.

Fit 3: lnpvap [dyn cm−2] = c0∕T + c1 + c2 T + c3 T2 + c4 T3, fitted to NIST-JANAF data (Chase 1986) by the authors.

Fit 4: lnpvap [dyn cm−2] = c0 + c1∕(T + c2), fitted to NIST-JANAF data (Chase 1986) by the authors.

Fit 5: , fitted to NIST-JANAF data (Chase 1986) by the authors.

Fit 6: log10pvap [mmHg] = c0 + c1∕T + c2 log10T + c3 T + c4 T2, data from Yaws (1999).

Fit 7: , data from Ackerman & Marley (2001).

Fit 8: lnpvap [bar] = c0 + c1∕T + c2∕T2, data from Weast (1971).

Fit 9: log10pvap [bar] = c0 + c1∕(T + c2), data from Prydz & Goodwin (1972).

Fit 10: lnpvap [dyn cm−2] = c0∕T + c1, data from Gail et al. (2013).

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