SulfLiq 1.0.0

Sulfide liquid thermodynamic model of Victor Kress

Sulfide liquid thermodynamic model of Kress

This project contains C++ and Python wrapper code (generated using PyBind11) that calculates thermodynamic properties of sulfide liquid according to the models of:

• Kress, Victor (1997) Thermochemistry of sulfide liquids .1. The system O-S-Fe at 1 bar. Contributions to Mineralogy and Petrology, 127[1-2], 176-186
• Kress, Victor (2000) Thermochemistry of sulfide liquids. II. Associated solution model for sulfide liquids in the system O-S-Fe. Contributions to Mineralogy and Petrology, 139[3], 316-325
• Kress, Victor (2007) Thermochemistry of sulfide liquids III: Ni-bearing liquids at 1 bar. Contributions to Mineralogy and Petrology, 154[2], 191-204
• Kress, Victor; Greene, Lori; Ortiz, Matthew; Mioduszewski, Luke (2008) Thermochemistry of sulfide liquids IV: density measurements and the thermodynamics of O-S-Fe-Ni-Cu liquids at low to moderate pressures. Contributions to Mineralogy and Petrology, 156[6], 785-797

This package is installed locally using the setup.py stript with the command

pip install .

A Jupyter notebook is included (Tester.ipynb) to demonstrate usage. Installation scripts require cmake and a C++ compiler.