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Energetics of multiple oxides with spinel structure

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Abstract

A thermodynamic model for multiple oxides with spinel structure based on the atomistic approach (lattice energy, enthalpy, bulk modulus) and semiempirical estimates (heat capacity functions, entropy, thermal expansion) is presented. The model fits the experimental high temperature free energy values of the reference compounds, with a mean absolute error of 0.65 percent (19 values). The standard state stable configuration of most reference compounds is shown to be achieved at a local minimum in the free energy vs. degree of inversion function. This is interpreted as evidence of internal consistency of the model.

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  1. Istituto di Geocronologia e Geochimica Isotopica, Via Cardinale Maffi, 36, 56100, Pisa, Italia

    Giulio Ottonello

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  1. Giulio Ottonello
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Ottonello, G. Energetics of multiple oxides with spinel structure. Phys Chem Minerals 13, 79–90 (1986). https://doi.org/10.1007/BF00311897

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  • DOI: https://doi.org/10.1007/BF00311897

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