A general model for predicting the solubility behavior of H2O–CO2 fluids in silicate melts over a wide range of pressure, temperature and compositions

Duan, Xianzhe

doi:10.1016/j.gca.2013.10.018

Cited by 70 publications

(95 citation statements)

References 117 publications

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“…Consequently, it may be used in conjunction with these computational packages to model the effects of mixed fluid saturation on liquid-solid phase relations in magmatic systems under crustal pressure (P)-temperature (T) conditions. Internal consistency with MELTS and rhyolite-MELTS discriminates the model presented here from the work of Duan (2014), Papale (1997Papale ( , 1999, Papale et al (2006), , Dixon et al (1995), Newman and Lowenstern (2002), and others (see Table 3 of Moore 2008). Additionally, the described model extends the calibration database of Papale et al (2006) and improves upon the underlying theoretical formulation for activity composition relations of the H 2 O component in the melt (after Ghiorso et al 1983), as well as implementing a more robust and extensible model for the thermodynamic properties of the fluid phase (following Duan and Zhang 2006; this fluid model is also adopted by Duan 2014).…”

mentioning

confidence: 55%

“…Papale et al (2006) used the thermodynamic model of Kerrick and Jacobs (1981), which is a modified Redlick-Kwong formulation for the H 2 O-CO 2 system. Along with Duan (2014), we choose the model of Duan and Zhang (2006; see ESM Appendix to this paper). This more recent formulation is based on a virial expansion EOS and is therefore more readily extensible to more complex fluids (e.g., plus CH 4 , SO 2 ).…”

Section: The Modelmentioning

confidence: 99%

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An H2O–CO2 mixed fluid saturation model compatible with rhyolite-MELTS

Ghiorso

Gualda

2015

Contrib Mineral Petrol

495

397

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a maximum in melt CO 2 at nonzero H 2 O melt concentrations, regardless of bulk composition. This feature is universal and can be attributed to the dominance of hydroxyl speciation at low water concentrations. The model is applied to four examples. The first involves estimation of pressures from H 2 O-CO 2 -bearing glass inclusions found in quartz phenocrysts of the Bishop Tuff. The second illustrates H 2 O and CO 2 partitioning between melt and fluid during fluid-saturated equilibrium and fractional crystallization of MORB. The third example demonstrates that the position of the quartz-feldspar cotectic surface is insensitive to melt CO 2 contents, which facilitates geobarometry using phase equilibria. The final example shows the effect of H 2 O and CO 2 on the crystallization paths of a high-silica rhyolite composition representative of the late-erupted Bishop Tuff. Software that implements the model is available at ofm-research.org, and the model is incorporated into the latest version (1.1+) of rhyolite-MELTS.

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mentioning

confidence: 55%

Section: The Modelmentioning

confidence: 99%

An H2O–CO2 mixed fluid saturation model compatible with rhyolite-MELTS

Ghiorso

Gualda

2015

Contrib Mineral Petrol

495

397

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“…[Note that at a total pressure, P tot , of 1 atm and magmatic temperatures, the behavior of H 2 -CO 2 gas mixtures is so close to ideal that the fugacity of each species in the vapor is essentially equal to its partial pressure (e.g., Jakobsson and Oskarsson 1994;Duan 2014), which is in turn equal to the mole fraction of that species in the vapor (e.g., Deines et al 1974). The assumption of gas ideality will be applied for the remainder of this study, and fugacity and partial pressure will be used interchangeably.]…”

Section: Methodsmentioning

confidence: 99%

“…H 2 is assumed to be insoluble in the melt at the low pressures considered here (see discussion in section 5.3). We assume an oxygen fugacity corresponding to IW−1 at 1350 °C (this fixes the H 2 /H 2 O and CO/CO 2 ratios in the vapor phase; Deines et al 1974), and we assume that the vapor behaves as an ideal mixture of ideal gases, consistent with expectations for the low pressures and high temperatures considered here (Jakobsson and Oskarsson 1994;Duan 2014). The results of these calculations indicate that carbon exsolves from the melt first, followed by water at lower pressures (<~20 bar for the melt containing 4 ppm C and <~50 bar for the melt containing 64 ppm C).…”

Section: Which Volatile Species Likely Dominated In the Vapor That Drmentioning

confidence: 96%

“…Several models and empirical parameterizations of water solubility in silicate melts have been developed, some of which recover the proportionality connecting water concentration and fH 2 O 0.5 at low pressures given by equation (4) (Stolper 1982a;Silver and Stolper 1989;Dixon et al 1995;Pineau et al 1998;Newman and Lowenstern 2002;Liu et al 2005) and others of which assume general power law relationships between water concentration and fH 2 O, some of which are inconsistent with Sieverts' law and equation (4) (Moore et al 1998;Papale et al 2006;Lesne et al 2010;Duan 2014;Shishkina et al 2014;Burgisser et al 2015). One aim of this study is to test the applicability of equation (4) to two geologically relevant silicate melt compositions at a total pressure of 1 atm.…”

Section: Speciation Of Water In Silicate Meltsmentioning

confidence: 99%

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Solubility of water in lunar basalt at low pH2O

Newcombe

Brett

Beckett

et al. 2017

Geochimica et Cosmochimica Acta

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This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. AbstractWe report the solubility of water in Apollo 15 basaltic 'Yellow Glass' and an iron-free basaltic analog composition at 1 atm and 1350 °C. We equilibrated melts in a 1-atm furnace with flowing H 2 /CO 2 gas mixtures that spanned ~8 orders of magnitude in fO 2 (from three orders of magnitude more reducing than the iron-wüstite buffer, IW−3.0, to IW+4.8) and ~4 orders of magnitude in pH 2 /pH 2 O (from 0.003 to 24). Based on Fourier transform infrared spectroscopy (FTIR), our quenched experimental glasses contain 69-425 ppm total water (by weight). Our results demonstrate that under the conditions of our experiments: (1) hydroxyl is the only H-bearing species detected by FTIR; (2) the solubility of water is proportional to the square root of pH 2 O in the furnace atmosphere and is independent of fO 2 and pH 2 /pH 2 O; (3) the solubility of water is very similar in both melt compositions; (4) the concentration of H 2 in our iron-free experiments is <~4 ppm, even at oxygen fugacities as low as IW−2.3 and pH 2 /pH 2 O as high as 11; (5) Secondary ion mass spectrometry (SIMS) analyses of water in iron-rich glasses equilibrated under variable fO 2 conditions may be strongly influenced by matrix effects, even when the concentration of water in the glasses is low; and (6) Our results can be used to constrain the entrapment pressure of lunar melt inclusions and the partial pressures of water and molecular hydrogen in the carrier gas of the lunar pyroclastic glass beads. We find that the most water-rich melt inclusion of Hauri et al.(2011) would be in equilibrium with a vapor with pH 2 O ~3 bar and pH 2 ~8 bar. We constrain the partial pressures of water and molecular hydrogen in the carrier gas of the lunar pyroclastic glass beads to be 0.0005 bar and 0.0011 bar respectively. We calculate that batch degassing of lunar magmas containing initial volatile contents of 1200 ppm H 2 O (dissolved primarily as hydroxyl) and 4-64 ppm C would produce enough vapor to reach the critical vapor volume fraction thought to be required for magma 2 fragmentation (~65-75 vol. %) at a total pressure of ~5 bar (corresponding to a depth beneath the lunar surface of ~120 m). At a fragmentation pressure of ~5 bar, the calculated vapor composition is dominated by H 2 , supporting the hypothesis that H 2 , rather than CO, was the primary propellant of the lunar fire fountain eruptions. The results of our batch degassing model suggest that initial melt compositions with >~200 ppm C would be required for the vapor composition to be dominated by CO rather than H 2 at 65-75 % vesicularity.

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Carbon Speciation and Solubility in Silicate Melts

Solomatova

Caracas

Cohen

2020

Geophysical Monograph Series

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To improve our understanding of the Earth's global carbon cycle, it is critical to characterize the distribution and storage mechanisms of carbon in silicate melts. Presently, the carbon budget of the deep Earth is not well constrained and is highly model-dependent. In silicate melts of the uppermost mantle, carbon exists predomi nantly as molecular carbon dioxide and carbonate, whereas at greater depths, carbon forms complex polymer ized species. The concentration and speciation of carbon in silicate melts is intimately linked to the melt's composition and affects its physical and dynamic properties. Here we review the results of experiments and calculations on the solubility and speciation of carbon in silicate melts as a function of pressure, temperature, composition, polymerization, water concentration, and oxygen fugacity.

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A general model for predicting the solubility behavior of H2O–CO2 fluids in silicate melts over a wide range of pressure, temperature and compositions

Cited by 70 publications

References 117 publications

An H2O–CO2 mixed fluid saturation model compatible with rhyolite-MELTS

An H2O–CO2 mixed fluid saturation model compatible with rhyolite-MELTS

Solubility of water in lunar basalt at low pH2O

Carbon Speciation and Solubility in Silicate Melts

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