Sulfide and sulfate saturation of dacitic melts as a function of oxygen fugacity

Kleinsasser, Jackie; Simon, Adam C.; Konecke, Brian A.; Kleinsasser, Michael; Beckmann, Philipp; Holtz, François

doi:10.1016/j.gca.2022.03.032

Cited by 10 publications

(3 citation statements)

References 87 publications

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“…Silicate melts undergo a relatively abrupt transition in S speciation from sulfide (S 2− ) to sulfate (S 6+ ) dominated with increasing oxygen fugacity [Fincham and Richardson 1954;Wallace and Carmichael 1994;Jugo et al 2010;Kleinsasser et al 2022, ; cyan line in Figure 4B]. In systems where both S 2− and S 6+ are present, the calculated SCSS 2− will underestimate the total solubility of S, because this parameter only accounts for the solubility of S 2− species.…”

Section: Magmas With a MIX Of S 2− And S 6+mentioning

confidence: 99%

“…When calculating the Total S content, specify model='Nash' rather than model='Jugo' in the function calculate_S_Total_SCSS_SCAS: deltaQFM_lin=np.linspace(-1, 3, 11) df_S_Nash=ss.calculate_S_Total_SCSS_SCAS( SCSS=1000, SCAS=5000, model='Nash', T_K=df_out['T_K'], Fe3Fet_Liq=df_out['Fe3Fet_Liq']) Kleinsasser et al [2022] note that the transition predicted by models primarily calibrated on mafic melts [e.g. Jugo et al 2010;Nash et al 2019] is not a good match for dacitic melt compositions, where the transition occurs at higher 𝑓 O 2 values (ΔQFM = +1.81 ± 0.56).…”

Section: Demonstrating the Importance Of S 2− And S 6+ Correctionsmentioning

confidence: 99%

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

Wieser

Gleeson

2023

Volcanica

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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+/STot, 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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Section: Magmas With a MIX Of S 2− And S 6+mentioning

confidence: 99%

Section: Demonstrating the Importance Of S 2− And S 6+ Correctionsmentioning

confidence: 99%

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

Wieser

Gleeson

2023

Volcanica

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“…At the conditions relevant to igneous rock formation in our solar system, sulfur ranges in oxidation state from sulfide (S 2− ) to sulfate (S 6+ , commonly as the sulfate anionic group,

{\mathrm{S}\mathrm{O}}_{4}^{2-}

) (e.g., Bothcarnikov et al., 2011; Jugo et al., 2010; Kleinsasser et al., 2022; Klimm et al., 2012; Matjuschkin et al., 2016; Nash et al., 2019). The oxidation state of sulfur in silicate melts or aqueous fluids is dependent on major element composition, temperature, pressure, and f O 2 .…”

Section: Introductionmentioning

confidence: 99%

The Oxidation State of Sulfur in Apatite of Martian Meteorite—Shergotty

et al. 2023

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Apatite can incorporate sulfur in its reduced form (S2−) when apatite equilibrates with a silicate melt under reducing conditions. Incorporation of sulfate (S6+) has been observed in terrestrial apatite under oxidizing conditions. Thus, it has been suggested that the proportions of S6+/S2− in apatite may record the oxygen fugacity (fO2) during the formation and/or equilibration of apatite grains with a silicate melt in a wide variety of igneous and metamorphic rocks, including from Earth, Mars, the Moon, and in materials from the asteroid belt. Martian rocks, which record fO2 values intermediate between those recorded by rocks from the Moon and Earth, may have apatite that contains only S2− or mixtures of S6+ and S2−. Here, we present new measurements of the oxidation state of sulfur in apatite grains in the basaltic shergottite, Shergotty, which exhibits spectral features consistent with the presence of sulfide (S2−) structurally bound in apatite, and no evidence for the presence of sulfite (S4+) or sulfate (S6+). The presence of sulfide‐only apatite in Shergotty is consistent with other mineralogical records of fO2 in this meteorite, which are calculated from other late‐stage crystallizing phases like Fe‐Ti oxides as well as from early crystallizing phases like clinopyroxene (DEuCpx/melt) of ΔIW + 1.9 to ΔIW + 3.5. At these fO2 values, S is present in silicate melts as only S2−, and this suggests that the oxidation state of sulfur records and preserves the fO2 during the igneous crystallization of apatite reinforcing the idea that sulfur in apatite can be used as an igneous oxybarometer.

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The role of immiscible sulfides for sulfur isotope fractionation in arc magmas: Insights from the Talkeetna island arc crustal section, south-central Alaska

et al. 2023

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Sulfide and sulfate saturation of dacitic melts as a function of oxygen fugacity

Cited by 10 publications

References 87 publications

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

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

The Oxidation State of Sulfur in Apatite of Martian Meteorite—Shergotty

The role of immiscible sulfides for sulfur isotope fractionation in arc magmas: Insights from the Talkeetna island arc crustal section, south-central Alaska

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