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Gibbs Energy Modeling of Digenite and Adjacent Solid-State Phases

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Abstract

All sulfur potential and phase diagram data available in the literature for solid-state equilibria related to digenite have been assessed. Thorough thermodynamic analysis at 1 bar total pressure has been performed. A three-sublattice approach has been developed to model the Gibbs energy of digenite as a function of composition and temperature using the compound energy formalism. The Gibbs energies of the adjacent solid-state phases covelitte and high-temperature chalcocite are also modeled treating both sulfides as stoichiometric compounds. The novel model for digenite offers new interpretation of experimental data, may contribute from a thermodynamic point of view to the elucidation of the role of copper species within the crystal structure and allows extrapolation to composition regimes richer in copper than stoichiometric digenite Cu2S. Preliminary predictions into the ternary Cu-Fe-S system at 1273 K (1000 °C) using the Gibbs energy model of digenite for calculating its iron solubility are promising.

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  1. Department of General, Analytical and Physical Chemistry, University of Leoben, Franz-Josef-Straße 18, Leoben, 8700, Austria

    Peter Waldner

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  1. Peter Waldner
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Correspondence to Peter Waldner.

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Manuscript submitted 12 January 2017.

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Waldner, P. Gibbs Energy Modeling of Digenite and Adjacent Solid-State Phases. Metall Mater Trans B 48, 2157–2166 (2017). https://doi.org/10.1007/s11663-017-1001-1

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