The Bayesian approach to an internally consistent thermodynamic database: theory, database, and generation of phase diagrams

Article Abstract:

An internally consistent thermodynamic dataset has been achieved by simultaneous treatment of phase property and reaction reversal data by the Bayesian method. This method can be extended to refine the thermodynamic mixing properties of crystalline solutions. The resulting database includes the enthalpies of formation and entropies, the uncertainties, and the correlation among them. The database allows calculation of pressure-temperature, T-X sub CO2 and P-X sub CO2 and temperature-oxygen fugacity sections. with error propagation into the computed phase diagrams.

Models, Statistics, Crystals, Thermal properties, Enthalpy

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Heat capacity of wadeite-type K2Si4O9 and the pressure-induced stable decomposition of K-feldspar

Article Abstract:

The heat capacity of synthetic, stoichiometric wadeite-type K2Si4O9 was determined by DSC in the 195-598 deg K range. Near the upper temperature limit, the heat capacity obtained were consistent with those obtained by Geisinger et al. However, with decreasing temperature, the heat capacity measured by DSC was progressively higher than those calculated by the vibrational model. Findings showed that for all probable P-T trajectories in the subduction region, the stable pressure-induced decomposition of K-feldspar will result into coesite + kalsilite.

Feldspar

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A thermodynamic analysis of the system LiAlSiO4-NaAlSiO4-Al2O3-SiO2-H20 based on new heat capacity, thermal expansion, and compressibility data for selected phases

Article Abstract:

An internally consistent thermodynamic dataset for the NaAlSiO4-LiAlSiO4-Al2O3-SiO2-H2O quinary was derived through simultaneously processed phase property and reaction reversal data by the Bayes method. Missing heat capacity, thermal expansion and compressibility data for some phases were filled by obtaining the heat capacity data for cookeite, ephesite, eucryptite, petalite, beta-eucryptite and beta-spodumene. Phase diagrams generated from this database was used to discuss some petrogenetic problems.

Measurement, Expansion (Heat), Thermal expansion, Compressibility, Petrogenesis

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