PySulfSat: An open-source Python3 tool for modeling sulfide and sulfate saturation

Penny Wieser; Matthew Gleeson

doi:10.30909/vol.06.01.107127

In this image captured by Guenter Guni, a group of scientists stand on the crater rim of Erta Ale (in the Afar Region of northeastern Ethiopia), backlit by the red glow of the volcano’s lava lake. Five members of the team are grouped to the left of the image, and a lone silhouette is standing at the right.

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Published: May 15, 2023

DOI: https://doi.org/10.30909/vol.06.01.107127

Keywords:

Python3 Sulfide FAIR SCAS Open-source Anhydrite Mantle melting

Penny Wieser

UC Berkeley

https://orcid.org/0000-0002-1070-8323

Matthew Gleeson

UC Berkeley

https://orcid.org/0000-0003-0839-5492

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⁺/S_Tot, 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).

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How to Cite

Wieser, P. and Gleeson, M. (2023) “PySulfSat: An open-source Python3 tool for modeling sulfide and sulfate saturation”, Volcanica, 6(1), pp. 107–127. doi: 10.30909/vol.06.01.107127.

Issue

Vol. 6 No. 1 (2023)

Section

Articles

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