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- W2016117983 abstract "In this letter, a linear free energy relationship developed by Sverjensky and Molling is used to predict the Gibbs free energies of formation of crystalline phases of M4+O2 and M4+(OH)4 from the known thermodynamic properties of aqueous tetravalent cations (M4+). The modified Sverjensky and Molling equation for tetravalent cations is expressed as ΔGf,MvX0=aMvXΔGn,M4+0+bMvX+βMvXrM4+, where the coefficients aMvX, bMvX and βMvX characterize a particular structural family of MvX, rM4+ is the ionic radius of M4+ cation, ΔGf,MvX0 is the standard Gibbs free energy of formation of MvX, and ΔGn,M4+0 is the standard non-solvation energy of cation M4+. By fitting the equation to the existing thermodynamic data, the coefficients in the equation for the MO2 family minerals are estimated to be: aMvX=0.670, βMvX=32 (kcal/mol Å), and b=−430.02 (kcal/mol). The constrained relationship can be used to predict the standard Gibbs free energies of formation of crystalline phases and fictive phases (i.e., phases which are thermodynamically unstable and do not occur at standard conditions) within the isostructural families of M4+O2 and M4+(OH)4 if the standard Gibbs free energies of formation of the tetravalent cations are known." @default.
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- W2016117983 modified "2023-10-03" @default.
- W2016117983 title "Application of a linear free energy relationship to crystalline solids of MO2 and M(OH)4" @default.
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- W2016117983 doi "https://doi.org/10.1016/s0022-3115(99)00092-6" @default.
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