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Digenite Cu2−x S: thermodynamic analysis of sulfur activities

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Abstract

Gibbs energy modeling of the intermediate copper–sulfur phase digenite is performed at a total pressure of 1 bar using experimental sulfur activity data from the literature. A two-sublattice approach used in the framework of the compound energy formalism takes into account structural considerations. A limited set of optimized model quantities is obtained, which allows reproduction of all sulfur activity data available in the literature over a wide homogeneity and temperature range of the phase. Phase equilibria calculations applying the modeled Gibbs energy for digenite give very satisfactory phase relations in accordance with experimental data. A partial phase diagram within the composition range 0.0 ≤ x S ≤ 0.7 up to elevated temperatures is calculated.

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Authors and Affiliations

  1. Chair of Physical Chemistry, University of Leoben, Franz-Josef-Straße 18, 8700, Leoben, Austria

    Peter Waldner & Werner Sitte

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  1. Peter Waldner
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  2. Werner Sitte
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Correspondence to Peter Waldner.

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Waldner, P., Sitte, W. Digenite Cu2−x S: thermodynamic analysis of sulfur activities. Monatsh Chem 143, 1215–1218 (2012). https://doi.org/10.1007/s00706-012-0751-3

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  • DOI: https://doi.org/10.1007/s00706-012-0751-3

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