Data associated with the publication: Oxidized sulfur species in slab fluids as a source of enriched sulfur isotope signatures in arcs

This dataset contains files used for and generated by the EQ3 software (Wolery, 1992), and constitute the results of thermodynamic modeling used to calculate aqueous speciation of fluids at high pressures and temperatures based on thermodynamic properties consistent with the Deep Earth Water model (<a href="https://doi.org/10.1016/j.gca.2019.03.027">Huang & Sverjensky, 2019</a>). They constitute the main results discussed in our manuscript entitled “Oxidized sulfur species in slab fluids as a source of enriched sulfur isotope signatures in arcs”.
These files are separated into various folders, representing different P-T conditions and chemical systems. The “Newton and Manning model” folder contains files used to construct Figures 1 and 2, and represent our model representation of the high-pressure experiments on anhydrite solubility conducted by Newton and Manning (2005), which was used to constrain the thermodynamic properties of the complexes CaHSO<sub>4</sub>+, Na<sub>2</sub>SO<sub>4</sub> and CaCl<sub>2</sub>. The “Subduction zone fluids” folder contains our model subduction zone fluids, equilibrated with subducting mineral assemblages. This folder is subdivided into “Mafic assemblage” and “Ultramafic assemblage”, which are further subdivided by pressure, temperature (2 GPa, 400–700°C; 3GPa, 500–800°C) and oxygen fugacity, reported in log units relative to the fayalite-magnetite-quartz (FMQ) buffer (FMQ-2 to FMQ+4). The output files contain the full chemical speciation predicted by the Deep Earth Water model for fluids in equilibrium with the specified mineralogical assemblages.