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Possibility of estimating acid-base properties of minerals and rocks by means of physicochemical simulations (with the Selector-C program package)

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Abstract

The basicity-acidity of minerals and rocks is estimated by the Gibbs free energy minimization technique with the use of modern thermodynamic data (Selector-C program package). A provisional scale of acid-base properties of minerals and rocks is constructed based on the properties of pure water in equilibrium with them. The composition of solution under standard conditions and base-acid parameters (pH25) are calculated for reactions of pure water with various rock-forming minerals that dissolve congruently or incongruently. A method is suggested for evaluating the base-acid parameters of rocks on the basis of solving the inverse problems of convex programming of the composition and properties of solution (supercritical fluid) in equilibrium with a real mineral association.

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Correspondence to V. O. Khudolozhkin.

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Original Russian Text © V.O. Khudolozhkin, A.S. Kuchma, 2015, published in Geokhimiya, 2015, No. 7, pp. 651–660.

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Khudolozhkin, V.O., Kuchma, A.S. Possibility of estimating acid-base properties of minerals and rocks by means of physicochemical simulations (with the Selector-C program package). Geochem. Int. 53, 648–657 (2015). https://doi.org/10.1134/S001670291505002X

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  • DOI: https://doi.org/10.1134/S001670291505002X

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