Pure-Phases Examples (Jupyter notebooks)¶
The Notebooks/Pure-Phases folder contains Jupyter notebooks that illustrate calculation of thermodynamic properties of pure component phases using established thermodynamic databases.
- Modules used:
Phases
Model
The links below access static versions only. You can access executable versions from the Notebooks folder.
Illustrates calculation of the thermodynamic properties of quartz using the Berman (1988) database and the Python ThermoEngine package.
Illustrates calculation of the thermodynamic properties of forsterite using the Stixrude-Lithgow-Bertelloni (2012) database and the Python ThermoEngine package.
Illustrates construction of the alumino-silicate phase diagram using the Berman (1988) database and the Python ThermoEngine package.
❇️ Compare Stoichiometric Phases from Different Databases
Illustrates how to compare thermodynamic properties of quartz calculated from three different databases: Berman (1988), Holland and Powell (2000) and Stixrude-Lithgow-Bertelloni (2012), using the Python ThermoEngine package. This notebook requires the file Ghiorso-cp-quartz.txt.
❇️ Plot a Reaction between Stoichiometric Phases
Illustrates how to calculate and plot a univariant curve for the reaction forsterite + quartz -> enstatite using the Berman (1988) database and the Python ThermoEngine package.
❇️ PhaseObjC - Plot a Reaction between Stoichiometric Phases
Illustrates how to calculate and plot a univariant curve for the reaction forsterite -> magnesio-wadsleyite using the Stixrude-Lithgow-Bertelloni (2012) database and the Python ThermoEngine package.
❇️ SWIM Example
Illustrates calculation of the thermodynamic properties of water using the Simulated Water Interpolated Model (SWIM) and direct access methods to the underlying code framework.