Data associated with the publication: The complexity of deep aqueous fluids in planetary ultramafic mantles

This dataset contains files used for and generated by the thermodynamic modeling software EQ3 and EQ6 software (Wolery, 1992), used to calculate aqueous speciation of fluids and fluid-rock reactions at high pressures and temperatures based on thermodynamic properties consistent with the Deep Earth Water model (Huang & Sverjensky, 2019). Three sets of previously published mineral solubility experimental data were modeled, with the results found in the folders “talc_quartz” (consistent with Luce et al. 1985, shown in Figure 1 of the main text), “talc_tremolite_quartz” (consistent with Luce et al. 1985, shown in Figure 2 of the main text) and “forsterite” (consistent with Macris et al. 2020, shown in Figure 3 of the main text). The models are run over a range of chlorine concentrations, consistent with the published experiments. The model results are used to refine thermodynamic parameters for several magnesium- and calcium-bearing chloride complexes. The databases containing these refined parameters for the modeled temperatures and pressures can be found in “Thermodynamic_Databases”. The “cooling_of_ultramafic_fluid” folder contains results for a model fluid cooled from 900 ºC to 650 ºC at 10 kb initially in equilibrium with spinel peridotite, demonstrating the application of these models for planetary interiors (shown in Figure 5 of the main text and Figures S4 – S8 in the Supporting Information).