ENKI

Pure-Phases Examples (Jupyter notebooks)ΒΆ

The Notebooks/DEW 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.

  • Quartz-Berman

    Illustrates calculation of the thermodynamic properties of quartz using the Berman (1988) database and the Python ThermoEngine package.

  • Forsterite-Stixrude

    Illustrates calculation of the thermodynamic properties of forsterite using the Stixrude-Lithgow-Bertelloni (2012) database and the Python ThermoEngine package.

  • Phase-Diagram

    Illustrates construction of the alumino-silicate phase diagram using the Berman (1988) database and the Python ThermoEngine package.

  • Compare-Phases

    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-Reaction

    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.

  • Plot-Reaction-Stixrude

    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.

  • Water

    Illustrates calculation of the thermodynamic properties of water using the Simulated Water Interpolated Model (SWIM) and direct access methods to the underlying code framework.