PySulfSat: An Open-Source Python3 Tool for modelling sulfide and sulfate saturation

This is a Preprint and has not been peer reviewed. The published version of this Preprint is available: https://doi.org/10.30909/vol.06.01.107127. This is version 4 of this Preprint.

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Authors

Penny Wieser, Matthew Gleeson

Abstract

We present PySulfSat, an Open-Source Python3 tool for modeling sulfide and anhydrite saturation in
magmas. PySulfSat supports a variety of data types (spreadsheets, Petrolog3 outputs, MELTS tbl files).
PySulfSat can be used with alphaMELTS for Python infrastructure to track sulfur solubility during fractional crystallization within a single Jupyter Notebook. PySulfSat allows far more customization of calculations than existing tools. For example, the SCSS2− could be calculated with one model using the sulfide
composition from a parameterization released with a different SCSS2− model. There are also functions
for calculating the proportion of S6+/ST ot, allowing modeled SCSS and SCAS values to be converted into
total S solubility to compare to natural data. We also contain functions for modeling mantle melting in
the presence of sulfides using a variety of SCSS and KD models. Extensive documentation and worked
examples are available at ReadTheDocs (https://bit.ly/PySulfSatRTD) along with narrated YouTube
videos (https://bit.ly/PySulfSatYouTube).

DOI

https://doi.org/10.31223/X5K360

Subjects

Earth Sciences

Keywords

Sulfide, sulfate, python, solubility, Open-source

Dates

Published: 2022-10-27 09:26

Last Updated: 2023-07-16 22:20

Older Versions
License

CC BY Attribution 4.0 International

Additional Metadata

Conflict of interest statement:
None

Data Availability (Reason not available):
All on GitHub /Read The Docs