Estimation and Extrapolation of the Thermodynamic Properties of Minerals and Solid Solutions

Abstract

The thermodynamic properties are ultimately macroscopic manifestations of interactions in an atomic scale. However, detailed calculations and integration of these interactions are formidable tasks, especially for complex ionic solid solutions. Consequently, most works on the theoretical calculation of the thermodynamic properties of minerals and mineral solid solutions are semiempirical in nature. We present below a selected review of these works, which rely on relatively simple theoretical analyses. A formal discussion of the relationship between microscopic or atomic interactions and thermodynamic properties is beyond the scope of this work. However, we have attempted to provide some idea of the nature of the microscopic interactions that govern the thermodynamic properties of minerals, insofar as these concepts can be developed within the overall framework of this book.⁴¹