An internally consistent thermodynamic data set for phases of petrological interest
Abstract
The thermodynamic properties of 154 mineral end‐members, 13 silicate liquid end‐members and 22 aqueous fluid species are presented in a revised and updated data set. The use of a temperature‐dependent thermal expansion and bulk modulus, and the use of high‐pressure equations of state for solids and fluids, allows calculation of mineral–fluid equilibria to 100 kbar pressure or higher. A pressure‐dependent Landau model for order–disorder permits extension of disordering transitions to high pressures, and, in particular, allows the alpha–beta quartz transition to be handled more satisfactorily. Several melt end‐members have been included to enable calculation of simple phase equilibria and as a first stage in developing melt mixing models in NCKFMASH. The simple aqueous species density model has been extended to enable speciation calculations and mineral solubility determination involving minerals and aqueous species at high temperatures and pressures. The data set has also been improved by incorporation of many new phase equilibrium constraints, calorimetric studies and new measurements of molar volume, thermal expansion and compressibility. This has led to a significant improvement in the level of agreement with the available experimental phase equilibria, and to greater flexibility in calculation of complex mineral equilibria. It is also shown that there is very good agreement between the data set and the most recent available calorimetric data.
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Applying the database, the garnet core composition yielded P-T conditions of 560 °C and 0.79 GPa, similar to the results above.
“Applying this database, the garnet core composition yielded P-T conditions of 560 °C and 0.79 GPa, which is similar to the results above (see Fig. 7B).”
From The role of excess oxygen for modeling high-Mn, low-Ca garnets in metapelites from the northern Central Metasedimentary Belt of the Grenville Province, Ontario, Canada (2021) · cites this paper as Holland and Powell (1998)
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- Authors
- HOLLAND, T. J. B., & POWELL, R.
- Affiliations
- The University of Melbourne (AU)
- Corresponding author
- HOLLAND, T. J. B.
- POWELL, R.
- Venue
- Journal of Metamorphic Geology
- Publisher
- Wiley
- Published
- 1998-05
- Volume
- 16
- Issue
- 3
- Pages
- 309-343
- ISSN
- 0263-4929 (ISSN-L)
- 1525-1314
- OpenAlex
- W1830358639
- Cited by
- 4,881
- References
- 1
- Citations by year
- 2026: 94 · 2025: 144 · 2024: 185 · 2023: 188 · 2022: 211 · 2021: 242 · 2020: 243 · 2019: 256 · 2018: 240 · 2017: 234 · 2016: 233 · 2015: 238 · 2014: 250 · 2013: 209 · 2012: 229
- FWCI
- 43.08
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of Metamorphic Geology (publishedVersion)
- Topics
- Physical Sciences › Earth and Planetary Sciences › Geophysics › Geological and Geochemical Analysis
- Physical Sciences › Earth and Planetary Sciences › Geophysics › High-pressure geophysics and materials
- Physical Sciences › Engineering › Mechanical Engineering › Metallurgical Processes and Thermodynamics
- Keywords
- silicate melts, aqueous liquid, thermal expansion, bulk modulus, alpha-beta quartz transition, aqueous speciation, mineral solubility, calorimetric data, molar volume, compressibility, phase equilibria
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