Equations of State of Ca-Silicates and Phase Diagram of the CaSiO3 System under Upper Mantle Conditions
Abstract
:1. Introduction
2. Thermodynamic Model
3. Results
4. Discussion
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Parameters | Wol CaSiO3 | PsWol CaSiO3 | Brt CaSiO3 | β-Lrn Ca2SiO4 | Ca-Tit CaSi2O5 | Ca-Pv CaSiO3 |
---|---|---|---|---|---|---|
𝓤0, kJmol−1 | −1658.007 | −1655.531 | −1651.400 | −2344.025 | −2524.000 | −1567.400 |
V0, cm3mol−1 | 39.9 | 40.3 | 37.78 | 51.88 | 48.19 | 27.403 |
K0, GPa | 81.5 | 86 | 78.6 | 105 | 178 | 239 |
K’ | 3.28 | 3.8 | 4 | 6.27 | 4 | 4.13 |
k | 5 | 5 | 5 | 5 | 5 | 5 |
Θ01, K | 966 | 1039 | 952 | 838 | 975 | 935 |
m1 | 7.5 | 7.5 | 7.5 | 10.5 | 12 | 7.5 |
Θ02, K | 270 | 244 | 280 | 257 | 370 | 388 |
m2 | 7.5 | 7.5 | 7.5 | 10.5 | 12 | 7.5 |
γ0 | 1 | 1 | 0.745 | 1.263 | 1.3 | 1.913 |
γ∞ | 0 | 0 | 0 | 0 | 0 | 0 |
β | 1 | 1 | 1 | 1.041 | 1 | 0.486 |
a0, 10−6 K−1 | 20.8 | |||||
m | 1 |
P, GPa | T, K | V, cm3 mol−1 | α × 106, K−1 | S, Jmol−1 K−1 | CP, Jmol−1 K−1 | CV, Jmol−1 K−1 | KT, GPa | KS, GPa | ΔG, kJmol−1 |
---|---|---|---|---|---|---|---|---|---|
0.0001 | 298.15 | 39.900 | 26.458 | 81.358 | 86.715 | 86.037 | 81.50 | 82.14 | −1658.007 |
0.0001 | 500 | 40.147 | 33.714 | 132.366 | 108.976 | 107.159 | 79.66 | 81.01 | −1679.826 |
0.0001 | 1000 | 40.907 | 40.288 | 214.108 | 124.900 | 119.946 | 74.62 | 77.70 | −1768.341 |
0.0001 | 1398 | 41.596 | 43.519 | 256.827 | 130.068 | 122.310 | 70.44 | 74.91 | −1862.474 |
0.0001 | 2000 | 42.763 | 48.446 | 304.482 | 136.431 | 123.596 | 63.94 | 70.58 | −2032.169 |
3 | 298.15 | 38.536 | 23.175 | 78.447 | 84.890 | 84.327 | 91.20 | 91.81 | −1540.406 |
3 | 500 | 38.746 | 29.732 | 128.623 | 107.621 | 106.089 | 89.43 | 90.72 | −1561.542 |
3 | 1000 | 39.393 | 35.446 | 209.562 | 123.771 | 119.586 | 84.55 | 87.51 | −1647.956 |
3 | 1500 | 40.130 | 38.619 | 260.949 | 129.599 | 122.464 | 79.48 | 84.11 | −1766.352 |
3 | 2000 | 40.944 | 41.668 | 298.850 | 134.050 | 123.490 | 74.28 | 80.63 | −1906.702 |
Pressure Range, GPa | Temperature Range, K | Method | Reference |
---|---|---|---|
0–134 | 300 | XRD | [68] |
16.8–108 | 300 | XRD | [69] |
28–62 | 300 | XRD | [61] |
0.59–13 | 301–1600 | XRD | [70] |
18–96 | 1238–2419 | XRD | [71] |
51–130 | 700–2300 | XRD | [63] |
21.2–156 | 1200–2600 | XRD | [60] |
12–23 | 700–1700 | XRD | [64] |
Depth, km | P, GPa | T, K | Density, gcm−3 | Ks, GPa |
---|---|---|---|---|
2891 | 135.75 | 3739 | 5.483 | 686.56 |
2771 | 128.71 | 2838 | 5.499 | 673.01 |
2741 | 126.97 | 2740 | 5.492 | 668.35 |
2571 | 117.35 | 2668 | 5.412 | 637.46 |
2371 | 106.39 | 2596 | 5.317 | 601.82 |
2171 | 95.76 | 2525 | 5.220 | 566.86 |
1971 | 85.43 | 2452 | 5.122 | 532.51 |
1771 | 75.36 | 2379 | 5.022 | 498.60 |
1571 | 65.52 | 2302 | 4.920 | 465.04 |
1371 | 55.9 | 2227 | 4.814 | 431.71 |
1171 | 46.46 | 2144 | 4.705 | 398.53 |
971 | 37.29 | 2060 | 4.592 | 365.70 |
771 | 28.29 | 1974 | 4.474 | 332.80 |
670 | 23.83 | 1931 | 4.412 | 316.19 |
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Sokolova, T.S.; Dorogokupets, P.I. Equations of State of Ca-Silicates and Phase Diagram of the CaSiO3 System under Upper Mantle Conditions. Minerals 2021, 11, 322. https://doi.org/10.3390/min11030322
Sokolova TS, Dorogokupets PI. Equations of State of Ca-Silicates and Phase Diagram of the CaSiO3 System under Upper Mantle Conditions. Minerals. 2021; 11(3):322. https://doi.org/10.3390/min11030322
Chicago/Turabian StyleSokolova, Tatiana S., and Peter I. Dorogokupets. 2021. "Equations of State of Ca-Silicates and Phase Diagram of the CaSiO3 System under Upper Mantle Conditions" Minerals 11, no. 3: 322. https://doi.org/10.3390/min11030322